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CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)(C)C1	REAL300017975870	0	48	0.0	-31.22	361.22	10.73	-20.49
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CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975872	0	46	0.0	-33.28	380.84	11.60	-21.68
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CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300017975876	0	43	0.0	-32.57	361.41	10.31	-22.26
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CC(C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300017975878	0	54	0.0	-31.69	423.16	13.75	-17.94
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1F	REAL300017975879	0	36	0.0	-32.98	318.84	10.16	-22.82
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(Cl)C=C1	REAL300017975880	0	37	0.0	-29.80	323.50	9.47	-20.33
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CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300017975882	0	45	0.0	-29.99	371.97	12.12	-17.87
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300017975883	0	46	0.0	-32.94	387.73	13.54	-19.40
CC1=CC(C)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975884	0	39	0.0	-30.29	334.92	10.78	-19.51
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975885	0	37	0.0	-26.33	335.71	9.30	-17.03
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300017975886	0	39	0.0	-46.76	347.64	10.20	-36.56
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CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975888	0	46	0.0	-30.53	386.25	13.48	-17.05
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CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OCC	REAL300017975890	0	47	0.0	-33.50	392.65	10.44	-23.06
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300017975891	0	45	0.0	-27.96	340.34	10.75	-17.21
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O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=C(Cl)C=C1	REAL300017975894	0	36	0.0	-38.33	329.79	8.50	-29.83
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O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300017975896	0	37	0.0	-31.49	338.12	9.26	-22.23
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COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300017975898	0	47	0.0	-33.01	399.04	12.49	-20.52
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975899	0	46	0.0	-32.85	378.85	10.79	-22.06
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O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300017975901	0	43	0.0	-32.82	381.76	13.37	-19.45
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CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975911	0	36	0.0	-26.54	312.26	9.82	-16.72
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CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975914	0	48	0.0	-29.20	367.05	12.29	-16.91
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CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2)CC1	REAL300017975917	1	50	0.0	-31.80	401.33	8.17	-23.63
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300017975918	0	42	0.0	-36.08	373.55	7.97	-28.11
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=C(Cl)C=C1	REAL300017975919	0	43	0.0	-35.65	350.00	7.21	-28.44
O=C([O-])C([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=CC=C(Cl)C=C1	REAL300017975920	0	48	0.0	-31.45	400.12	10.51	-20.94
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=CC=C(Cl)C=C1	REAL300017975921	0	48	0.0	-30.61	400.41	10.61	-20.00
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC=C(Cl)C=C1	REAL300017975922	0	47	0.0	-31.67	377.68	8.11	-23.56
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300017975923	0	40	0.0	-33.83	355.44	10.68	-23.15
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300017975924	0	40	0.0	-33.42	365.75	11.13	-22.29
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300017975925	0	42	0.0	-31.47	354.87	9.28	-22.19
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300017975926	0	40	0.0	-35.47	361.75	10.12	-25.35
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=CC=C(Cl)C=C1	REAL300017975928	0	40	0.0	-34.97	376.69	12.75	-22.22
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300017975929	0	43	0.0	-35.25	359.82	9.31	-25.94
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300017975930	0	46	0.0	-36.41	398.28	10.97	-25.44
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CC=C(Cl)C=C1	REAL300017975931	0	46	0.0	-33.17	396.15	11.05	-22.12
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975933	0	44	0.0	-31.91	377.10	8.96	-22.95
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1Cl	REAL300017975934	0	37	0.0	-31.84	335.72	9.25	-22.59
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)C1=CC=C(Cl)C=C1	REAL300017975935	0	39	0.0	-33.17	369.71	10.98	-22.19
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975937	0	36	0.0	-32.12	339.19	6.84	-25.28
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975938	0	36	0.0	-34.31	317.86	6.23	-28.08
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC=C(Cl)C=C1	REAL300017975939	0	32	0.0	-27.85	308.43	8.23	-19.62
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(Cl)C=C1	REAL300017975941	0	38	0.0	-33.19	324.85	9.63	-23.56
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300017975942	0	40	0.0	-32.54	363.05	10.15	-22.39
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=C(Cl)C=C1	REAL300017975943	0	39	0.0	-33.08	335.07	8.67	-24.41
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=C(Cl)C=C1	REAL300017975944	0	42	0.0	-27.60	352.40	9.42	-18.18
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=C(Cl)C=C1	REAL300017975945	0	40	0.0	-32.10	351.56	11.69	-20.41
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1=CC=C(Cl)C=C1	REAL300017975946	0	40	0.0	-31.94	356.12	11.80	-20.14
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=C(Cl)C=C1	REAL300017975947	0	40	0.0	-32.16	349.80	11.60	-20.56
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300017975948	0	41	0.0	-35.76	359.98	10.71	-25.05
O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300017975949	0	44	0.0	-35.73	368.35	7.78	-27.95
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975950	0	43	0.0	-30.00	364.97	10.49	-19.51
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300017975951	0	42	0.0	-32.72	369.46	10.98	-21.74
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=C(Cl)C=C1	REAL300017975952	1	40	0.0	-30.19	356.86	12.01	-18.18
O=C([O-])C([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1=CC=C(Cl)C=C1	REAL300017975953	0	40	0.0	-32.20	366.90	12.18	-20.02
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=NC2=NN1	REAL300017975954	0	38	0.0	-44.84	335.18	7.97	-36.87
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=C(Cl)C=C1	REAL300017975955	0	47	0.0	-29.36	384.92	11.62	-17.74
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=C(Cl)C=C1	REAL300017975957	0	36	0.0	-36.32	318.98	9.89	-26.43
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975959	0	43	0.0	-30.10	361.40	10.31	-19.79
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=CC=C(Cl)C=C1	REAL300017975963	0	47	0.0	-31.68	405.17	12.85	-18.83
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975966	0	42	0.0	-32.57	355.36	11.64	-20.93
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300017975967	0	45	0.0	-31.50	368.47	12.17	-19.33
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300017975968	0	45	0.0	-35.71	388.01	12.59	-23.12
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300017975969	0	45	0.0	-31.42	368.46	12.19	-19.23
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(Cl)C=C1	REAL300017975970	0	36	0.0	-32.03	301.38	8.94	-23.09
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300017975971	0	48	0.0	-32.79	386.09	10.06	-22.73
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O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CC=C(Cl)C=C1	REAL300017975975	0	40	0.0	-35.23	364.44	12.25	-22.98
O=C([O-])C([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1=CC=C(Cl)C=C1	REAL300017975976	0	45	0.0	-33.09	368.81	9.80	-23.29
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CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300017975980	1	47	0.0	-50.43	364.15	9.73	-40.70
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C(C)S1	REAL300017975981	0	36	0.0	-29.80	321.21	9.98	-19.82
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)S2)C=C1	REAL300017975982	1	43	0.0	-32.94	380.04	12.88	-20.06
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CC(C)(C(=O)[O-])C1=CC=C(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300017999930	0	58	0.0	-73.84	438.42	12.27	-61.57
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CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001638	0	52	0.0	-36.51	408.82	13.32	-23.19
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CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001656	0	51	0.0	-28.92	368.94	12.49	-16.43
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CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001664	0	52	0.0	-33.08	412.23	12.58	-20.50
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CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001666	0	50	0.0	-32.05	378.86	12.35	-19.70
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CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001672	0	47	0.0	-40.78	394.96	7.90	-32.88
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001673	0	43	0.0	-31.90	350.15	11.14	-20.76
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001674	0	43	0.0	-33.16	351.40	11.19	-21.97
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001676	0	42	0.0	-32.29	346.34	11.63	-20.66
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC2=CC=CC=C2C=C1	REAL300018001677	0	42	0.0	-29.95	360.90	10.28	-19.67
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)=CC=C2O1	REAL300018001678	0	53	0.0	-33.43	410.66	12.98	-20.45
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001679	0	54	0.0	-30.36	396.17	14.01	-16.35
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001680	0	48	0.0	-36.52	389.28	12.80	-23.72
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001681	0	48	0.0	-35.14	390.79	12.85	-22.29
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)C=C2)CC1	REAL300018001682	1	56	0.0	-32.19	428.65	9.84	-22.35
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001683	0	48	0.0	-36.47	402.71	9.68	-26.79
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001684	0	49	0.0	-35.17	380.95	8.98	-26.19
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001685	0	53	0.0	-35.72	408.86	10.29	-25.43
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001686	0	46	0.0	-37.94	385.29	12.44	-25.50
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001687	0	46	0.0	-37.74	396.93	12.92	-24.82
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=N1	REAL300018001688	0	48	0.0	-32.41	384.13	11.01	-21.40
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001689	0	46	0.0	-36.61	392.27	11.88	-24.73
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001690	0	49	0.0	-35.82	390.39	11.07	-24.75
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001691	0	52	0.0	-37.19	427.49	12.71	-24.48
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001692	0	52	0.0	-35.68	424.08	12.75	-22.93
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001694	0	50	0.0	-36.82	406.36	10.69	-26.13
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1Cl	REAL300018001695	0	43	0.0	-36.41	365.56	11.01	-25.40
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001697	0	42	0.0	-28.44	345.21	7.91	-20.53
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O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC2=CC=CC=C2C=C1	REAL300018001700	0	44	0.0	-33.19	355.53	11.38	-21.81
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001701	0	46	0.0	-33.44	392.30	11.88	-21.56
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300018001702	1	38	0.0	-31.95	326.75	9.11	-22.84
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O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001708	0	50	0.0	-36.99	399.52	9.57	-27.42
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CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001710	0	41	0.0	-39.27	330.54	11.56	-27.71
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CC(C)CN1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001738	1	53	0.0	-31.71	393.28	10.46	-21.25
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C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001742	0	45	0.0	-35.45	377.17	11.94	-23.51
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1OC	REAL300018001743	0	54	0.0	-36.80	435.11	11.25	-25.55
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001744	0	53	0.0	-34.64	408.29	9.99	-24.65
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001745	1	53	0.0	-54.26	387.46	10.86	-43.40
CC(C)(C)N1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001745	1	53	0.0	-31.54	383.67	9.68	-21.86
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1SC	REAL300018001746	0	47	0.0	-35.66	390.26	11.54	-24.12
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1OC	REAL300018001747	0	56	0.0	-34.09	439.33	12.69	-21.40
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1OC	REAL300018001748	0	54	0.0	-35.61	432.94	12.63	-22.98
O=C([O-])C([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001749	0	60	0.0	-33.54	442.01	7.26	-26.28
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1OC	REAL300018001750	0	53	0.0	-30.97	424.97	11.40	-19.57
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC2=CC=CC=C2C=C1	REAL300018001751	1	46	0.0	-36.07	380.76	11.11	-24.96
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001753	0	51	0.0	-34.53	391.26	13.67	-20.86
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1Cl	REAL300018001756	0	47	0.0	-36.41	400.31	12.52	-23.89
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1=CC2=CC=CC=C2C=C1	REAL300018001757	1	45	0.0	-32.32	385.08	12.18	-20.14
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C2OC(C)CC2=C1	REAL300018001758	0	51	0.0	-34.19	407.77	11.07	-23.12
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1F	REAL300018001761	0	47	0.0	-36.27	380.96	10.71	-25.56
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001763	1	60	0.0	-58.02	428.51	13.07	-44.95
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001764	0	54	0.0	-29.10	410.36	14.31	-14.79
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)=CC=C2O1	REAL300018001765	0	50	0.0	-34.29	398.79	12.44	-21.85
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001769	0	42	0.0	-34.59	346.25	11.47	-23.12
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC(C(F)(F)F)=C1	REAL300018001771	0	46	0.0	-34.39	388.25	11.45	-22.94
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001772	0	41	0.0	-31.51	331.26	9.99	-21.52
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001773	0	48	0.0	-32.23	375.82	11.90	-20.33
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001776	0	45	0.0	-27.63	351.04	9.58	-18.05
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001777	0	52	0.0	-33.13	414.30	12.91	-20.22
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001778	0	50	0.0	-35.59	405.01	10.66	-24.93
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001779	0	48	0.0	-27.79	367.00	9.89	-17.90
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300018001780	0	51	0.0	-32.79	376.34	12.41	-20.38
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001781	0	43	0.0	-35.93	375.31	11.28	-24.65
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001782	0	50	0.0	-30.73	388.66	12.21	-18.52
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001783	0	46	0.0	-31.85	366.88	13.10	-18.75
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001784	0	48	0.0	-34.39	370.72	12.90	-21.49
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001785	0	48	0.0	-34.49	376.17	13.14	-21.35
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC3=CC=CC=C3C=C1)OCO2	REAL300018001786	0	46	0.0	-32.14	375.52	9.20	-22.94
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1OC	REAL300018001787	0	47	0.0	-29.05	390.57	10.84	-18.21
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)SC=C1	REAL300018001788	1	40	0.0	-31.13	340.15	9.57	-21.56
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001789	0	52	0.0	-34.04	414.33	12.91	-21.13
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC2=CC=CC=C2C=C1	REAL300018001790	0	45	0.0	-32.51	362.49	13.21	-19.30
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC2=CC=CC=C2C=C1	REAL300018001791	0	46	0.0	-35.17	353.46	9.71	-25.46
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC2=CC=CC=C2C=C1	REAL300018001792	0	43	0.0	-34.08	341.96	11.24	-22.84
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC2=CC=CC=C2C=C1	REAL300018001793	0	48	0.0	-32.16	353.76	11.94	-20.22
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)=C2O1	REAL300018001794	0	50	0.0	-27.71	397.35	12.37	-15.34
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC2=CC=CC=C2C=C1	REAL300018001796	0	38	0.0	-32.86	329.82	9.95	-22.91
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC2=CC=CC=C2C=C1	REAL300018001797	0	38	0.0	-33.60	327.90	9.89	-23.71
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001798	0	39	0.0	-33.17	347.73	11.84	-21.33
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001800	0	45	0.0	-38.59	375.54	12.94	-25.65
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=N1	REAL300018001801	0	43	0.0	-35.19	354.32	9.78	-25.41
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001802	0	46	0.0	-40.56	379.73	12.39	-28.17
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001805	0	44	0.0	-35.50	362.37	11.66	-23.84
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001806	1	39	0.0	-33.73	352.85	11.63	-22.10
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001808	0	47	0.0	-45.20	374.33	6.99	-38.21
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)SC=N1	REAL300018001810	1	38	0.0	-32.25	325.27	8.95	-23.30
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001811	0	43	0.0	-33.49	355.97	10.53	-22.96
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001812	0	43	0.0	-34.76	342.45	9.51	-25.25
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=N1	REAL300018001813	0	49	0.0	-34.89	393.00	11.15	-23.74
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001814	0	55	0.0	-33.22	421.47	11.09	-22.13
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(Cl)=C1	REAL300018001815	0	42	0.0	-31.33	351.90	12.20	-19.13
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001816	0	41	0.0	-39.10	360.72	12.20	-26.90
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001817	0	42	0.0	-38.47	359.59	12.48	-25.99
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1OC1=CC=CN=C1	REAL300018001818	0	52	0.0	-36.36	424.52	12.90	-23.46
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)S2)C=C1	REAL300018001819	1	48	0.0	-32.19	406.48	12.86	-19.33
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC2=CC=CC=C2C=C1	REAL300018001820	0	44	0.0	-28.90	376.51	12.19	-16.71
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC2=CC=CC=C2C=C1	REAL300018001821	0	44	0.0	-28.57	371.13	11.99	-16.58
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001822	0	44	0.0	-46.55	373.56	9.79	-36.76
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC2=CC=CC=C2C=C1	REAL300018001823	0	41	0.0	-38.55	360.17	12.32	-26.23
CCC1CC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCO1	REAL300018001827	0	46	0.0	-32.11	351.92	9.72	-22.39
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCO1	REAL300018001828	0	49	0.0	-31.10	369.94	10.28	-20.82
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001829	0	49	0.0	-31.19	384.07	13.68	-17.51
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001830	0	58	0.0	-32.51	416.37	14.13	-18.38
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001831	0	53	0.0	-31.00	388.00	12.57	-18.43
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001832	0	48	0.0	-34.25	378.78	13.16	-21.09
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1C(C)(C)C	REAL300018001833	0	55	0.0	-32.30	420.72	13.14	-19.16
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001835	0	52	0.0	-30.82	401.77	12.32	-18.50
CC(C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCC1	REAL300018001836	0	51	0.0	-31.35	375.91	12.58	-18.77
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001837	0	44	0.0	-40.48	375.58	6.15	-34.33
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC2=CC=CC=C2C=C1	REAL300018001838	0	46	0.0	-35.05	372.61	13.15	-21.90
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(C)=C1	REAL300018001839	0	49	0.0	-31.28	387.52	12.03	-19.25
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001840	0	46	0.0	-28.33	370.91	11.21	-17.12
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001841	0	41	0.0	-28.92	358.12	10.36	-18.56
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC2=CC=CC=C2C=C1	REAL300018001842	0	49	0.0	-35.51	387.48	13.52	-21.99
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001844	1	43	0.0	-31.61	366.87	10.02	-21.59
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)S1	REAL300018001845	1	45	0.0	-31.40	374.53	12.60	-18.80
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=CC=C1[N+](=O)[O-]	REAL300018001848	0	44	0.0	-34.52	357.89	12.19	-22.33
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1Br	REAL300018001849	0	42	0.0	-32.50	359.55	12.35	-20.15
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1Cl	REAL300018001850	0	43	0.0	-34.55	365.56	11.01	-23.54
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CS1	REAL300018001851	1	39	0.0	-31.26	331.91	10.91	-20.35
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001852	1	42	0.0	-35.15	347.40	11.48	-23.67
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001855	0	40	0.0	-31.62	322.12	10.29	-21.33
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001856	0	45	0.0	-32.55	365.27	10.31	-22.24
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001858	0	45	0.0	-31.20	362.91	12.59	-18.61
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC2=CC=CC=C2C=C1	REAL300018001860	0	43	0.0	-34.74	359.91	12.76	-21.98
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001862	0	46	0.0	-32.13	350.91	11.86	-20.27
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC2=CC=CC=C2C=C1	REAL300018001864	0	42	0.0	-33.88	364.92	12.13	-21.75
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC2=CC=CC=C2C=C1	REAL300018001865	0	46	0.0	-29.75	337.43	11.34	-18.41
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)=CN=C12	REAL300018001866	1	45	0.0	-36.35	368.32	12.19	-24.16
CN1C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CN=C1Cl	REAL300018001868	0	39	0.0	-32.35	335.76	10.00	-22.35
CN1C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CN=C1Br	REAL300018001869	0	39	0.0	-32.23	340.05	10.02	-22.21
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC2=CC=CC=C2C=C1	REAL300018001871	0	39	0.0	-35.36	340.71	8.49	-26.87
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC2=CC=CC=C2C=C1	REAL300018001873	0	43	0.0	-37.13	359.75	11.21	-25.92
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC2=CC=CC=C2C=C1	REAL300018001874	0	43	0.0	-34.41	357.74	11.14	-23.27
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001876	0	42	0.0	-29.67	348.91	12.21	-17.46
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC2=CC=CC=C2C=C1	REAL300018001877	0	41	0.0	-32.38	352.18	10.90	-21.48
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)N21	REAL300018001878	1	45	0.0	-34.75	359.21	12.06	-22.69
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001879	0	51	0.0	-36.44	400.97	11.85	-24.59
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001880	0	51	0.0	-32.01	394.31	13.14	-18.87
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001881	0	48	0.0	-32.66	374.11	12.40	-20.26
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001882	0	42	0.0	-30.68	358.17	12.33	-18.35
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001883	0	46	0.0	-33.42	376.41	10.92	-22.50
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001884	0	51	0.0	-27.95	375.85	10.09	-17.86
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001885	0	44	0.0	-42.29	368.77	11.63	-30.66
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC2=CC=CN=C12	REAL300018001886	0	47	0.0	-36.91	382.61	12.38	-24.53
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300018001887	0	51	0.0	-28.36	368.28	12.45	-15.91
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1C	REAL300018001889	0	52	0.0	-32.06	412.98	12.93	-19.13
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001891	0	49	0.0	-33.96	395.27	12.81	-21.15
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300018001892	0	48	0.0	-28.76	351.99	12.03	-16.73
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001894	0	41	0.0	-31.33	334.56	9.40	-21.93
CC1CC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCN1CC1=CC=CC=C1	REAL300018001895	0	57	0.0	-32.43	430.41	12.37	-20.06
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001896	0	42	0.0	-33.76	355.52	12.12	-21.64
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC2=CC=CC=C2C=C1	REAL300018001898	0	46	0.0	-30.49	365.58	13.03	-17.46
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC2=CC=CC=C2C=C1	REAL300018001901	1	44	0.0	-27.64	353.85	11.32	-16.32
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=NN1C	REAL300018001902	0	42	0.0	-35.19	339.04	9.39	-25.80
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1F	REAL300018001903	0	53	0.0	-35.95	420.52	12.33	-23.62
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C(SC)C=C1OC	REAL300018001904	0	51	0.0	-33.52	414.11	11.30	-22.22
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001905	0	50	0.0	-35.72	392.56	13.66	-22.06
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC2=CC=CC=C2C=C1	REAL300018001906	0	46	0.0	-29.75	337.43	11.34	-18.41
CC1CC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC(C2=CC=CC=C2)C1	REAL300018001907	0	55	0.0	-33.85	409.88	14.35	-19.50
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300018001909	0	48	0.0	-31.89	360.94	11.64	-20.25
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC2=CC=CC=C21	REAL300018001911	0	49	0.0	-34.36	395.85	12.79	-21.57
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001912	0	45	0.0	-34.21	366.31	9.56	-24.65
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001913	0	46	0.0	-33.44	379.12	11.48	-21.96
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1	REAL300018001914	0	49	0.0	-36.24	385.54	11.73	-24.51
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC2=CC=CC=C2C=C1	REAL300018001916	1	48	0.0	-50.07	358.67	10.92	-39.15
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC2=CC=CC=C2C=C1	REAL300018001916	1	48	0.0	-51.64	360.06	10.46	-41.18
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001917	0	55	0.0	-32.68	388.69	13.04	-19.64
CC([NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C(C)C1=CC=CC=C1	REAL300018001918	0	48	0.0	-33.21	359.93	12.61	-20.60
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC2=CC=CC=C2C=C1	REAL300018001919	0	47	0.0	-35.97	374.52	12.24	-23.73
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)C=CC=C12	REAL300018001920	0	49	0.0	-31.13	388.77	12.62	-18.51
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001922	0	47	0.0	-34.83	373.06	11.50	-23.33
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001923	0	48	0.0	-30.92	381.59	13.11	-17.81
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001925	0	50	0.0	-35.67	398.90	14.19	-21.48
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001926	0	53	0.0	-33.85	378.34	10.63	-23.22
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1C	REAL300018001927	0	45	0.0	-33.25	360.60	9.29	-23.96
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC2=CC=CC=C2C=C1	REAL300018001929	0	42	0.0	-34.03	361.70	12.41	-21.62
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC2=CC=CC=C2C=C1	REAL300018001931	0	39	0.0	-31.33	350.89	11.47	-19.86
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)NC2=CC=C1	REAL300018001932	1	46	0.0	-33.20	372.27	11.72	-21.48
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001933	0	49	0.0	-29.94	372.35	10.67	-19.27
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001934	0	39	0.0	-35.98	351.98	11.33	-24.65
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(C)=C1	REAL300018001935	0	52	0.0	-30.89	403.98	12.68	-18.21
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C=C1OC1CC1	REAL300018001937	0	51	0.0	-35.89	409.83	12.03	-23.86
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001938	0	52	0.0	-32.00	376.16	12.66	-19.34
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001939	0	41	0.0	-35.73	349.47	10.24	-25.49
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC2=CC=CC=C2C=C1	REAL300018001940	0	49	0.0	-31.89	371.98	13.15	-18.74
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001942	0	51	0.0	-32.09	367.68	11.90	-20.19
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC2=CC=CC=C2C=C1	REAL300018001943	0	49	0.0	-35.87	371.00	13.13	-22.74
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C(C(F)F)=N1	REAL300018001944	0	42	0.0	-36.52	345.31	9.67	-26.85
CC([NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1)C1CCCCCC1	REAL300018001945	0	51	0.0	-31.25	364.03	12.20	-19.05
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001947	0	54	0.0	-32.18	382.11	12.44	-19.74
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC2=CC=CC=C2C=C1	REAL300018001948	0	47	0.0	-30.26	364.31	11.05	-19.21
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001949	0	46	0.0	-36.41	376.93	13.37	-23.04
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC2=CC=CC=C2C=C1	REAL300018001950	0	48	0.0	-40.36	384.87	12.87	-27.49
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001951	0	44	0.0	-38.10	375.55	6.14	-31.96
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)NC2=C1	REAL300018001953	0	46	0.0	-32.44	372.70	11.73	-20.71
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001954	0	43	0.0	-33.26	347.85	9.79	-23.47
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC2=CC=CC=C2C=C1	REAL300018001957	0	55	0.0	-34.62	408.88	14.47	-20.15
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)C1	REAL300018001958	0	48	0.0	-31.47	361.89	11.89	-19.58
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC4=CC=CC=C4C=C3)C=C2)=C1	REAL300018001960	0	55	0.0	-33.59	438.37	15.93	-17.66
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=CC=C1N1C=NC=N1	REAL300018001961	0	48	0.0	-37.98	395.76	14.73	-23.25
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001962	0	48	0.0	-29.99	351.82	11.56	-18.43
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001963	0	51	0.0	-33.37	369.02	12.20	-21.17
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001964	0	51	0.0	-32.36	359.32	11.69	-20.67
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CC1	REAL300018001965	0	57	0.0	-33.21	399.35	12.98	-20.23
CC1CC([NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)CCN1C	REAL300018001966	0	47	0.0	-31.76	352.57	8.58	-23.18
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC2=CC=CC=C2C=C1	REAL300018001968	0	46	0.0	-38.57	384.40	11.70	-26.87
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC3=CC=CC=C3C=C2)=C1	REAL300018001969	0	46	0.0	-33.92	376.43	10.91	-23.01
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CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009774	0	44	0.0	-39.61	365.49	10.53	-29.08
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=N1	REAL300018009775	0	42	0.0	-35.54	342.94	7.34	-28.20
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CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009780	0	38	0.0	-34.97	342.82	9.21	-25.76
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CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)SC=N1	REAL300018009784	1	37	0.0	-32.39	314.40	6.54	-25.85
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009785	0	42	0.0	-33.71	345.91	8.12	-25.59
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009786	0	42	0.0	-35.95	333.71	7.13	-28.82
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=N1	REAL300018009787	0	48	0.0	-36.06	382.93	8.74	-27.32
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CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(Cl)=C1	REAL300018009789	0	41	0.0	-26.66	344.10	9.86	-16.80
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CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC=C1OC1=CC=CN=C1	REAL300018009792	0	51	0.0	-35.64	415.29	10.63	-25.01
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)S2)C=C1	REAL300018009793	1	47	0.0	-34.31	397.74	10.49	-23.82
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CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300018009796	0	43	0.0	-47.54	362.20	7.35	-40.19
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CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CCO1	REAL300018009801	0	45	0.0	-33.29	343.17	7.36	-25.93
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CCO1	REAL300018009802	0	48	0.0	-32.59	360.19	7.89	-24.70
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CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009805	0	52	0.0	-32.96	380.99	10.07	-22.89
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300018009806	0	47	0.0	-35.26	368.74	10.75	-24.51
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1C(C)(C)C	REAL300018009807	0	54	0.0	-32.14	410.66	10.74	-21.40
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009809	0	51	0.0	-30.97	390.39	9.89	-21.08
CC(C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCCC1	REAL300018009810	0	50	0.0	-32.99	365.24	10.17	-22.82
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300018009811	0	43	0.0	-41.37	364.22	3.71	-37.66
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CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(C)=C1	REAL300018009813	0	48	0.0	-31.75	375.56	9.57	-22.18
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009814	0	45	0.0	-28.62	360.86	8.81	-19.81
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009815	0	40	0.0	-30.47	350.08	7.97	-22.50
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=C2OCCC2=C1	REAL300018009816	0	48	0.0	-35.40	377.25	11.13	-24.27
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009818	1	42	0.0	-32.00	356.83	7.62	-24.38
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300018009819	1	44	0.0	-33.09	366.40	10.25	-22.84
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=CC=C1[N+](=O)[O-]	REAL300018009821	0	43	0.0	-35.71	347.84	9.78	-25.93
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COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC=C1Cl	REAL300018009823	0	42	0.0	-35.27	356.85	8.64	-26.63
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CS1	REAL300018009824	1	38	0.0	-32.04	323.18	8.54	-23.50
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CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009828	0	44	0.0	-36.17	355.21	7.90	-28.27
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009830	0	44	0.0	-31.54	354.20	10.22	-21.32
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O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=C2OCCC2=C1	REAL300018009834	0	43	0.0	-31.83	349.42	6.10	-25.73
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CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CN=C1Br	REAL300018009840	0	38	0.0	-37.14	331.94	7.68	-29.46
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CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009850	0	50	0.0	-38.42	390.94	9.43	-28.99
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009851	0	50	0.0	-33.55	385.54	10.77	-22.78
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009852	0	47	0.0	-32.55	362.75	9.95	-22.60
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009853	0	41	0.0	-34.32	349.45	9.95	-24.37
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CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300018009858	0	50	0.0	-28.65	358.25	10.04	-18.61
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CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300018009863	0	47	0.0	-28.98	342.07	9.60	-19.38
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CC1CC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CCN1CC1=CC=CC=C1	REAL300018009866	0	56	0.0	-32.00	420.14	9.88	-22.12
CC1CC(NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018009866	1	56	0.0	-56.94	411.51	10.66	-46.28
CC1CC(NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018009866	1	56	0.0	-60.78	418.47	10.86	-49.92
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=C2OCCC2=C1	REAL300018009867	0	41	0.0	-37.25	344.15	9.69	-27.56
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CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=NN1C	REAL300018009873	0	41	0.0	-36.30	330.91	7.04	-29.26
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1F	REAL300018009874	0	52	0.0	-32.88	410.46	9.93	-22.95
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C(SC)C=C1OC	REAL300018009875	0	50	0.0	-33.89	404.07	8.90	-24.99
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)CC2)C=C1	REAL300018009876	0	58	0.0	-34.97	429.73	9.45	-25.52
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009877	0	49	0.0	-36.46	387.49	11.25	-25.21
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CC1CC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC(C2=CC=CC=C2)C1	REAL300018009879	0	54	0.0	-32.45	407.94	12.20	-20.25
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300018009881	0	47	0.0	-32.18	350.89	9.22	-22.96
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC2=CC=CC=C21	REAL300018009883	0	48	0.0	-34.93	385.79	10.38	-24.55
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009884	0	44	0.0	-35.73	357.59	7.19	-28.54
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009885	0	45	0.0	-33.65	367.76	9.05	-24.60
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300018009886	0	48	0.0	-36.74	375.48	9.33	-27.41
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CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300018009905	0	48	0.0	-30.49	361.67	8.26	-22.23
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CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(C)=C1	REAL300018009907	0	51	0.0	-32.32	395.59	10.32	-22.00
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1OC1CC1	REAL300018009909	0	50	0.0	-35.97	399.77	9.63	-26.34
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CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300018009914	0	50	0.0	-32.20	356.98	9.46	-22.74
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CC([NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1)C1CCCCCC1	REAL300018009917	0	50	0.0	-30.59	352.97	9.83	-20.76
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CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009922	0	47	0.0	-39.97	373.54	10.43	-29.54
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CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)NC2=C1	REAL300018009925	0	45	0.0	-33.87	363.24	9.35	-24.52
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=C2OCCC2=C1	REAL300018009926	0	42	0.0	-33.87	336.46	7.35	-26.52
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=C2OCCC2=C1	REAL300018009929	0	54	0.0	-35.26	398.81	12.00	-23.26
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C1	REAL300018009930	0	47	0.0	-32.74	353.13	9.52	-23.22
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C=C2)=C1	REAL300018009932	0	54	0.0	-34.71	428.33	13.52	-21.19
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC=C1N1C=NC=N1	REAL300018009933	0	47	0.0	-41.40	385.70	12.32	-29.08
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300018009934	0	47	0.0	-34.31	341.01	9.16	-25.15
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300018009935	0	50	0.0	-34.23	358.95	9.79	-24.44
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300018009936	0	50	0.0	-33.25	350.15	9.36	-23.89
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CC1	REAL300018009937	0	56	0.0	-33.18	390.35	10.60	-22.58
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)CCN1C	REAL300018009938	0	46	0.0	-32.45	341.90	6.15	-26.30
CC1CC(NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC[N@@H+]1C	REAL300018009938	1	46	0.0	-56.58	337.73	7.12	-49.46
CC1CC(NC(C(=O)[O-])C2=CC=C3OCCC3=C2)CC[N@H+]1C	REAL300018009938	1	46	0.0	-56.88	345.09	8.01	-48.87
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=C2OCCC2=C1	REAL300018009940	0	45	0.0	-39.79	374.35	9.30	-30.49
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=C2OCCC2=C1	REAL300018009941	0	45	0.0	-35.77	375.16	7.09	-28.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(Br)=C1	REAL300018009942	0	42	0.0	-27.61	357.07	8.62	-18.99
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009943	0	45	0.0	-32.60	365.06	8.48	-24.12
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009944	0	48	0.0	-36.91	404.44	11.05	-25.86
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=C2OCCC2=C1	REAL300018009946	0	49	0.0	-34.70	410.59	12.86	-21.84
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009947	0	55	0.0	-41.77	421.69	9.88	-31.89
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300018009948	0	44	0.0	-35.93	352.91	10.21	-25.72
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1OC	REAL300018009949	0	49	0.0	-33.55	381.44	8.48	-25.07
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=C2OCCC2=C1	REAL300018009950	0	45	0.0	-30.99	350.47	10.67	-20.32
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)S1	REAL300018009951	0	38	0.0	-31.26	342.57	9.25	-22.01
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=C2OCCC2=C1	REAL300018009952	0	41	0.0	-34.80	343.36	9.62	-25.18
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC(C)=C1	REAL300018009953	0	47	0.0	-36.50	374.31	10.85	-25.65
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(C)=C1OC	REAL300018009954	0	55	0.0	-40.05	419.65	9.76	-30.29
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C=N2)C=C1	REAL300018009955	0	49	0.0	-39.76	398.30	9.27	-30.49
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009956	0	44	0.0	-34.52	353.37	9.73	-24.79
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1	REAL300018009957	0	55	0.0	-31.09	432.92	9.51	-21.58
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009958	0	48	0.0	-38.64	399.88	11.21	-27.43
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=C2OCCC2=C1	REAL300018009959	0	51	0.0	-33.16	396.96	12.33	-20.83
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C2OCCC2=C1	REAL300018009960	0	44	0.0	-38.82	366.19	6.98	-31.84
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009961	0	44	0.0	-33.92	344.92	7.75	-26.17
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)=CN=C21	REAL300018009962	0	43	0.0	-38.08	354.30	7.88	-30.20
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009963	0	47	0.0	-36.86	375.52	10.93	-25.93
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009964	0	50	0.0	-38.03	398.44	11.52	-26.51
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009965	0	52	0.0	-30.93	383.80	7.84	-23.09
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=N1	REAL300018009966	0	44	0.0	-39.99	357.13	8.13	-31.86
CN1CCN(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C=N2)CC1	REAL300018009967	0	53	0.0	-36.78	412.76	7.01	-29.77
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=C2OCCC2=C1	REAL300018009968	0	49	0.0	-35.71	399.03	12.20	-23.51
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=C2OCCC2=C1	REAL300018009972	0	37	0.0	-39.74	312.57	6.94	-32.80
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=C2OCCC2=C1	REAL300018009973	0	49	0.0	-31.44	355.07	8.27	-23.17
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C2)CO1	REAL300018009974	0	49	0.0	-33.55	375.28	8.30	-25.25
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C2)CO1	REAL300018009975	0	46	0.0	-35.20	350.34	7.48	-27.72
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=C2OCCC2=C1	REAL300018009976	0	46	0.0	-35.08	355.30	9.00	-26.08
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=C2OCCC2=C1	REAL300018009977	0	45	0.0	-37.72	355.30	9.97	-27.75
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)=C21	REAL300018009978	0	44	0.0	-34.95	349.71	10.03	-24.92
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009979	0	45	0.0	-33.99	355.63	8.69	-25.30
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009982	0	44	0.0	-29.93	342.95	10.00	-19.93
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=C1	REAL300018009983	0	41	0.0	-35.24	339.13	9.52	-25.72
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C(C)=C1C	REAL300018009984	0	47	0.0	-29.96	357.51	10.40	-19.56
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)=CC2=C1	REAL300018009986	1	45	0.0	-32.96	376.92	9.57	-23.39
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)=CC=C21	REAL300018009988	0	50	0.0	-33.02	381.84	8.87	-24.15
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=C3OCCC3=C1)CC2	REAL300018009989	0	55	0.0	-34.26	398.59	9.11	-25.15
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1Cl	REAL300018009990	0	42	0.0	-33.43	366.54	10.25	-23.18
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC=C1C1CC1	REAL300018009991	0	48	0.0	-32.44	378.33	11.40	-21.04
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=C3OCCC3=C1)C2	REAL300018009992	0	52	0.0	-37.74	390.54	10.17	-27.57
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)=CC=N1	REAL300018009993	0	44	0.0	-37.21	360.26	6.43	-30.78
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C3OCCC3=C2)C=C1C1CC1	REAL300018009994	0	48	0.0	-32.63	378.35	11.41	-21.22
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C(C)=C2)C=C1	REAL300018009995	0	51	0.0	-38.79	403.08	11.07	-27.72
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C2OCCC2=C1	REAL300018009996	0	48	0.0	-37.22	398.28	10.99	-26.23
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C4OCCC4=C3)C=C2)C=C1Cl	REAL300018009997	0	48	0.0	-36.26	406.31	11.02	-25.24
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=C2OCCC2=C1	REAL300018009998	0	45	0.0	-32.52	347.14	9.77	-22.75
CC1=CC(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010670	0	42	0.0	-33.88	344.93	10.97	-22.91
CC1=CC(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])=CC(C)=C1	REAL300018010672	0	54	0.0	-28.19	387.66	11.51	-16.68
CC1=CC(C([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])=CC(C)=C1	REAL300018010673	0	46	0.0	-34.36	376.69	12.40	-21.96
CC1=CC(C)=CC(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018010674	0	52	0.0	-35.50	406.96	12.43	-23.07
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(Cl)=C1OC	REAL300018010675	0	47	0.0	-27.59	390.88	9.98	-17.61
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300018010676	1	46	0.0	-31.47	385.57	12.88	-18.59
CC1=CC(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=CC(C)=C1	REAL300018010677	0	42	0.0	-28.67	354.30	11.77	-16.90
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=C1	REAL300018010678	0	49	0.0	-31.21	387.48	11.11	-20.10
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010679	0	61	0.0	-31.02	477.05	14.41	-16.61
CC1=CC(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010680	0	60	0.0	-31.39	449.83	14.59	-16.80
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300018010681	0	42	0.0	-32.22	344.94	10.96	-21.26
CC1=CC(C)=CC(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=C1	REAL300018010682	0	43	0.0	-28.84	347.68	10.25	-18.59
CC1=CC(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010684	0	51	0.0	-29.18	397.42	12.89	-16.29
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)=C2)C=C1	REAL300018010685	0	52	0.0	-31.12	413.85	14.35	-16.77
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010686	0	43	0.0	-28.17	357.44	9.98	-18.19
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1[N+](=O)[O-]	REAL300018010687	0	45	0.0	-36.82	372.41	10.97	-25.85
CC1=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010688	0	39	0.0	-31.44	351.67	11.27	-20.17
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])=C1	REAL300018010689	0	52	0.0	-30.56	414.29	14.35	-16.21
CC1=CC(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010690	0	43	0.0	-32.57	357.46	9.85	-22.72
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCC	REAL300018010691	0	53	0.0	-33.28	420.68	11.30	-21.98
CC1=CC(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010692	0	51	0.0	-31.11	372.22	11.34	-19.77
CC1=CC(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010693	0	42	0.0	-36.54	368.80	11.64	-24.90
CC1=CC(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])=CC(C)=C1	REAL300018010694	0	39	0.0	-25.22	338.99	10.82	-14.40
CC1=CC(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])=CC(C)=C1	REAL300018010695	0	42	0.0	-37.49	356.49	9.33	-28.16
CC1=CC(C)=CC(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018010696	0	44	0.0	-31.36	352.72	10.46	-20.90
CC1=CC(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010697	0	43	0.0	-33.67	364.23	10.06	-23.61
CC1=CC(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010698	0	45	0.0	-39.29	378.90	7.79	-31.50
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010699	0	53	0.0	-33.37	426.42	13.33	-20.04
CC1=CC(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1	REAL300018010700	0	52	0.0	-32.36	404.79	11.58	-20.78
CC1=CC(C)=CC(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=C1	REAL300018010701	0	46	0.0	-33.39	377.09	12.48	-20.91
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])=C1	REAL300018010702	0	49	0.0	-32.67	409.14	14.20	-18.47
CC1=CC(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010703	0	49	0.0	-32.65	409.17	14.19	-18.46
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300018010704	0	42	0.0	-30.73	351.80	10.95	-19.78
CC1=CC(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=CC(C)=C1	REAL300018010706	0	44	0.0	-32.90	354.10	10.11	-22.79
CC1=CC(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010707	0	36	0.0	-32.06	328.56	9.92	-22.14
CC1=CC(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])=CC(C)=C1	REAL300018010708	0	50	0.0	-33.70	392.14	10.17	-23.53
CC1=CC(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010709	0	47	0.0	-38.77	391.81	6.98	-31.79
CC1=CC(C)=CC(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=C1	REAL300018010710	0	43	0.0	-31.05	349.27	10.28	-20.77
CC1=CC(C)=CC(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=C1	REAL300018010711	0	43	0.0	-31.64	348.27	10.26	-21.38
CC1=CC(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])=CC(C)=C1	REAL300018010712	0	42	0.0	-28.32	339.56	10.62	-17.70
CC1=CC(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])=CC(C)=C1	REAL300018010713	0	42	0.0	-27.70	355.84	9.30	-18.40
CC1=CC(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])=CC(C)=C1	REAL300018010714	0	53	0.0	-31.90	407.53	12.06	-19.84
CC1=CC(C)=CC(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300018010715	0	54	0.0	-30.20	391.79	13.16	-17.04
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=C1	REAL300018010716	0	48	0.0	-35.14	386.14	11.87	-23.27
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])=C1	REAL300018010717	0	48	0.0	-33.76	387.65	11.92	-21.84
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])=C1	REAL300018010718	1	56	0.0	-30.65	425.50	8.91	-21.74
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])=C1	REAL300018010719	0	48	0.0	-34.27	397.61	8.70	-25.57
CC1=CC(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010720	0	49	0.0	-36.01	377.33	8.06	-27.95
CC1=CC(C)=CC(C([NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])=C1	REAL300018010721	0	54	0.0	-31.39	425.57	11.28	-20.11
CC1=CC(C([NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010722	0	54	0.0	-30.07	424.78	11.24	-18.83
CC1=CC(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010723	0	53	0.0	-34.81	404.76	9.18	-25.63
CC1=CC(C)=CC(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])=C1	REAL300018010724	0	46	0.0	-36.42	382.14	11.51	-24.91
CC1=CC(C)=CC(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])=C1	REAL300018010725	0	46	0.0	-35.86	392.46	11.96	-23.90
CC1=CC(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=CC(C)=C1	REAL300018010726	0	48	0.0	-34.14	380.98	10.08	-24.06
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018010727	0	46	0.0	-33.40	389.13	10.95	-22.45
CC1=CC(C([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=CC(C)=C1	REAL300018010729	0	46	0.0	-29.71	402.81	13.55	-16.16
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OCC(F)(F)F	REAL300018010730	0	50	0.0	-35.63	418.38	10.84	-24.79
CC1=CC(C)=CC(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])=C1	REAL300018010731	0	49	0.0	-34.30	387.23	10.14	-24.16
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])=C1	REAL300018010732	0	52	0.0	-34.41	424.35	11.78	-22.63
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])=C1	REAL300018010733	0	52	0.0	-34.71	422.26	11.85	-22.86
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010735	0	50	0.0	-35.53	403.22	9.76	-25.77
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Cl	REAL300018010736	0	43	0.0	-31.25	362.42	10.08	-21.17
CC1=CC(C([NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C(=O)[O-])=CC(C)=C1	REAL300018010737	0	45	0.0	-33.88	397.10	11.82	-22.06
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010739	0	42	0.0	-31.70	365.33	7.63	-24.07
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010740	0	42	0.0	-33.49	342.69	7.00	-26.49
CC1=CC(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])=CC(C)=C1	REAL300018010741	0	38	0.0	-34.16	332.57	8.97	-25.19
CC1=CC(C([NH2+]CC2=CN=C(N3CCOCC3)S2)C(=O)[O-])=CC(C)=C1	REAL300018010742	1	48	0.0	-31.58	390.60	7.54	-24.04
CC1=CC(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])=CC(C)=C1	REAL300018010743	0	44	0.0	-32.57	350.96	10.42	-22.15
CC1=CC(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010744	0	46	0.0	-35.57	387.84	10.92	-24.65
CC1=CC(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])=CC(C)=C1	REAL300018010745	0	45	0.0	-27.84	359.18	9.42	-18.42
CC1=CC(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])=CC(C)=C1	REAL300018010746	0	48	0.0	-29.48	378.02	10.28	-19.20
CC1=CC(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300018010747	0	46	0.0	-31.31	377.05	12.48	-18.83
CC1=CC(C([NH2+]C2CC(C3=CC=CC(Br)=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300018010748	0	46	0.0	-31.18	381.61	12.57	-18.61
CC1=CC(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])=CC(C)=C1	REAL300018010749	0	46	0.0	-29.78	373.55	12.38	-17.40
CC1=CC(C)=CC(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300018010750	0	47	0.0	-34.87	386.07	11.52	-23.35
CC1=CC(C)=CC(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])=C1	REAL300018010751	0	50	0.0	-35.45	396.38	8.64	-26.81
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010752	0	49	0.0	-32.89	391.09	11.29	-21.60
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010753	0	48	0.0	-32.46	396.84	11.81	-20.65
CC1=CC(C)=CC(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300018010754	1	46	0.0	-31.01	382.33	12.79	-18.22
CC1=CC(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010755	0	46	0.0	-35.02	394.93	13.04	-21.98
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)C=NC2=NN1	REAL300018010756	0	44	0.0	-38.65	361.29	8.78	-29.87
CC1=CC(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010757	0	53	0.0	-32.59	411.00	12.43	-20.16
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300018010758	1	41	0.0	-31.18	346.39	8.97	-22.21
CC1=CC(C)=CC(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])=C1	REAL300018010759	1	42	0.0	-35.56	345.07	10.70	-24.86
CC1=CC(C)=CC(C([NH2+]CC2=CN=C(N(C)C)S2)C(=O)[O-])=C1	REAL300018010760	1	43	0.0	-31.87	359.08	9.30	-22.57
CC1=CC(C([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010761	0	49	0.0	-32.73	386.20	11.08	-21.65
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(=O)[O-])=C1	REAL300018010765	0	53	0.0	-33.49	433.22	13.71	-19.78
CC1=CC(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010768	0	48	0.0	-34.16	377.33	12.38	-21.78
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010769	0	51	0.0	-31.83	396.47	13.04	-18.79
CC1=CC(C)=CC(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018010770	0	51	0.0	-32.31	413.79	13.36	-18.95
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010771	0	51	0.0	-32.01	392.23	12.97	-19.04
CC1=CC(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300018010772	0	54	0.0	-29.01	413.31	10.90	-18.11
CC1=CC(C)=CC(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1	REAL300018010773	1	51	0.0	-53.99	382.90	10.63	-43.36
CC1=CC(C)=CC(C([NH2+]C2CCN(CC3CC3)CC2)C(=O)[O-])=C1	REAL300018010773	1	51	0.0	-30.33	379.47	9.12	-21.21
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010775	0	62	0.0	-32.97	477.45	14.60	-18.37
CC1=CC(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=CC(C)=C1	REAL300018010778	0	46	0.0	-30.32	392.49	13.11	-17.21
CC1=CC(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010779	0	51	0.0	-31.05	401.74	10.92	-20.13
CC1=CC(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010780	0	43	0.0	-34.05	352.95	8.65	-25.40
CC1=CC(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=CC(C)=C1	REAL300018010781	0	42	0.0	-28.53	361.93	11.27	-17.26
CC1=CC(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010783	1	53	0.0	-57.46	391.76	10.58	-46.88
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C(C)S1	REAL300018010784	1	42	0.0	-29.32	347.31	10.78	-18.54
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)S2)C=C1	REAL300018010785	0	49	0.0	-28.95	406.16	13.69	-15.26
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010786	0	43	0.0	-26.66	378.62	10.64	-16.02
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010787	0	45	0.0	-33.15	375.35	11.04	-22.11
CC1=CC(C([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010788	0	50	0.0	-32.72	419.73	13.26	-19.46
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300018010789	0	54	0.0	-35.64	431.97	10.32	-25.32
CC1=CC(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010790	0	53	0.0	-32.82	403.82	9.00	-23.82
CC1=CC(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010791	1	53	0.0	-57.45	385.80	10.01	-47.44
CC1=CC(C([NH2+]C2CCN(C(C)(C)C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010791	1	53	0.0	-30.13	380.54	8.74	-21.39
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1SC	REAL300018010792	0	47	0.0	-32.79	385.80	10.58	-22.21
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300018010793	0	56	0.0	-32.98	437.49	11.80	-21.18
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300018010794	0	54	0.0	-33.50	429.77	11.71	-21.79
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OCCC(C)C	REAL300018010795	0	59	0.0	-32.66	458.05	12.45	-20.21
CC1=CC(C)=CC(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])=C1	REAL300018010796	0	60	0.0	-32.15	438.87	6.34	-25.81
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1OC	REAL300018010797	0	53	0.0	-29.14	420.48	10.44	-18.70
CC1=CC(C([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])=CC(C)=C1	REAL300018010798	1	46	0.0	-34.19	376.31	10.16	-24.03
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010799	0	51	0.0	-33.58	388.10	12.74	-20.84
CC1=CC(C([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010802	0	51	0.0	-35.81	409.30	13.30	-22.51
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1Cl	REAL300018010803	0	47	0.0	-31.15	397.17	11.59	-19.56
CC1=CC(C([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])=CC(C)=C1	REAL300018010804	1	45	0.0	-32.45	383.24	11.29	-21.16
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C2OC(C)CC2=C1	REAL300018010805	0	51	0.0	-26.64	402.71	10.07	-16.57
CC1=CC(C([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010808	0	47	0.0	-34.89	377.98	9.78	-25.11
CC1=CC(C(NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010810	1	60	0.0	-54.95	421.49	12.00	-42.95
CC1=CC(C([NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C(=O)[O-])=CC(C)=C1	REAL300018010811	0	54	0.0	-33.11	426.43	14.02	-19.09
CC1=CC(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])=CC(C)=C1	REAL300018010813	0	50	0.0	-32.58	394.33	11.48	-21.10
CC1=CC(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])=CC(C)=C1	REAL300018010816	0	42	0.0	-33.68	343.08	10.50	-23.18
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC(C(F)(F)F)=C1	REAL300018010817	0	46	0.0	-31.83	385.12	10.52	-21.31
CC1=CC(C([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300018010818	0	39	0.0	-26.03	352.21	11.32	-14.71
CC1=CC(C)=CC(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])=C1	REAL300018010819	0	48	0.0	-33.70	370.79	10.61	-23.09
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])=C1	REAL300018010822	0	52	0.0	-31.01	411.16	11.99	-19.02
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010823	0	50	0.0	-32.65	401.26	9.70	-22.95
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010824	0	48	0.0	-31.09	380.72	12.37	-18.72
CC1=CC(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])=CC(C)=C1	REAL300018010825	0	51	0.0	-30.34	373.19	11.48	-18.86
CC1=CC(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010826	0	43	0.0	-33.21	372.17	10.35	-22.86
CC1=CC(C([NH2+]CC2=CC=C(N(C)C)C=C2C)C(=O)[O-])=CC(C)=C1	REAL300018010828	0	50	0.0	-28.79	382.55	11.20	-17.59
CC1=CC(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])=CC(C)=C1	REAL300018010829	0	46	0.0	-29.51	362.45	12.14	-17.37
CC1=CC(C)=CC(C([NH2+]C(C)CC2=CC=CC=C2C)C(=O)[O-])=C1	REAL300018010830	0	48	0.0	-33.13	367.60	11.98	-21.15
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010831	0	48	0.0	-28.28	370.32	12.18	-16.10
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1)OCO2	REAL300018010832	0	46	0.0	-32.95	372.39	8.28	-24.67
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300018010833	0	47	0.0	-31.79	384.54	9.81	-21.98
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)SC=C1	REAL300018010834	1	40	0.0	-27.42	336.40	8.62	-18.80
CC1=CC(C([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010835	0	52	0.0	-32.72	411.19	11.99	-20.73
CC1=CC(C([NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010836	0	59	0.0	-32.94	458.23	9.13	-23.81
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300018010837	0	45	0.0	-31.00	359.36	12.29	-18.71
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300018010838	0	51	0.0	-32.52	430.37	11.60	-20.92
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1CN1C=CC=N1	REAL300018010839	0	53	0.0	-36.52	429.12	11.21	-25.31
CC1=CC(C([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=CC(C)=C1	REAL300018010840	0	50	0.0	-32.27	394.14	11.45	-20.82
CC1=CC(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])=CC(C)=C1	REAL300018010842	0	38	0.0	-26.38	329.05	9.07	-17.31
CC1=CC(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300018010843	0	38	0.0	-26.46	324.12	8.94	-17.52
CC1=CC(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010844	0	39	0.0	-31.94	345.92	10.95	-20.99
CC1=CC(C([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300018010845	0	45	0.0	-37.29	372.42	12.01	-25.28
CC1=CC(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010846	0	46	0.0	-39.30	376.59	11.46	-27.84
CC1=CC(C)=CC(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])=C1	REAL300018010847	0	44	0.0	-33.63	357.89	10.71	-22.92
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010848	1	39	0.0	-28.20	348.42	10.67	-17.53
CC1=CC(C)=CC(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])=C1	REAL300018010850	0	47	0.0	-43.97	371.82	6.08	-37.89
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010851	0	43	0.0	-32.30	354.15	9.63	-22.67
CC1=CC(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=CC(C)=C1	REAL300018010852	0	49	0.0	-32.93	388.54	10.19	-22.74
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300018010853	0	55	0.0	-31.77	418.34	10.16	-21.61
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(Cl)=C1	REAL300018010854	0	42	0.0	-25.54	352.33	11.37	-14.17
CC1=CC(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010855	0	41	0.0	-37.78	358.88	11.30	-26.48
CC1=CC(C)=CC(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018010856	0	42	0.0	-37.00	356.45	11.55	-25.45
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])=C1	REAL300018010857	0	52	0.0	-33.98	423.51	12.14	-21.84
CC1=CC(C([NH2+]C(C)CC2=CC=C(F)C=C2Br)C(=O)[O-])=CC(C)=C1	REAL300018010858	0	45	0.0	-36.98	375.91	12.07	-24.91
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)S2)C=C1	REAL300018010859	1	48	0.0	-31.71	402.71	11.91	-19.80
CC1=CC(C)=CC(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018010860	0	44	0.0	-31.87	374.75	11.29	-20.58
CC1=CC(C([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])=CC(C)=C1	REAL300018010861	0	44	0.0	-29.20	370.04	11.13	-18.07
CC1=CC(C([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010862	0	44	0.0	-38.23	370.41	8.86	-29.37
CC1=CC(C)=CC(C([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])=C1	REAL300018010863	0	41	0.0	-36.42	354.10	11.28	-25.14
CC1=CC(C([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])=CC(C)=C1	REAL300018010867	0	49	0.0	-30.19	365.17	9.30	-20.89
CC1=CC(C)=CC(C([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])=C1	REAL300018010868	0	49	0.0	-29.52	379.61	12.72	-16.80
CC1=CC(C)=CC(C([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])=C1	REAL300018010869	0	58	0.0	-27.89	407.41	13.44	-14.45
CC1=CC(C([NH2+]C(C)CC(C)CC(C)C)C(=O)[O-])=CC(C)=C1	REAL300018010870	0	53	0.0	-28.63	385.63	11.74	-16.89
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010871	0	48	0.0	-32.59	374.33	12.19	-20.40
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C(C)(C)C	REAL300018010872	0	55	0.0	-31.29	418.90	12.25	-19.04
CC1=CC(C([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010874	0	52	0.0	-32.80	397.31	11.37	-21.43
CC1=CC(C([NH2+]CC(C)C2CCCCC2)C(=O)[O-])=CC(C)=C1	REAL300018010875	0	51	0.0	-31.19	374.08	11.69	-19.50
CC1=CC(C([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010876	0	44	0.0	-38.61	370.46	5.17	-33.44
CC1=CC(C([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])=CC(C)=C1	REAL300018010877	0	46	0.0	-32.14	369.28	12.19	-19.95
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300018010878	0	49	0.0	-29.86	384.38	11.10	-18.76
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010879	0	46	0.0	-26.47	365.85	10.23	-16.24
CC1=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])=CC(C)=C1	REAL300018010880	0	41	0.0	-29.63	357.95	9.30	-20.33
CC1=CC(C)=CC(C([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])=C1	REAL300018010881	0	49	0.0	-33.30	380.93	12.55	-20.75
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010882	1	43	0.0	-30.96	361.81	9.04	-21.92
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300018010883	0	45	0.0	-29.97	371.37	11.67	-18.30
CC1=CC(C([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])=CC(C)=C1	REAL300018010885	0	44	0.0	-32.73	354.73	11.26	-21.47
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(Br)C(C)=C2)C(=O)[O-])=C1	REAL300018010886	0	42	0.0	-31.10	356.41	11.42	-19.68
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC=C1Cl	REAL300018010887	0	43	0.0	-32.79	362.42	10.08	-22.71
CC1=CC(C)=CC(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])=C1	REAL300018010888	1	42	0.0	-27.68	343.63	10.53	-17.15
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010891	0	45	0.0	-30.45	360.19	9.34	-21.11
CC1=CC(C([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])=CC(C)=C1	REAL300018010894	0	43	0.0	-32.34	356.68	11.81	-20.53
CC1=CC(C([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])=CC(C)=C1	REAL300018010896	0	42	0.0	-32.09	360.47	11.17	-20.92
CC1=CC(C)=CC(C([NH2+]CC2=CN=C3C(C)=CC=CN23)C(=O)[O-])=C1	REAL300018010897	1	45	0.0	-35.28	366.52	11.29	-23.99
CC1=CC(C([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])=CC(C)=C1	REAL300018010898	0	39	0.0	-30.72	332.62	9.07	-21.65
CC1=CC(C([NH2+]CC2=CN=C(Br)N2C)C(=O)[O-])=CC(C)=C1	REAL300018010899	0	39	0.0	-31.17	338.84	9.16	-22.01
CC1=CC(C)=CC(C([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018010901	0	39	0.0	-34.93	338.17	7.59	-27.34
CC1=CC(C)=CC(C([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])=C1	REAL300018010902	0	43	0.0	-35.72	356.60	10.28	-25.44
CC1=CC(C)=CC(C([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])=C1	REAL300018010903	0	43	0.0	-33.51	356.50	10.28	-23.23
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])=C1	REAL300018010905	0	42	0.0	-29.01	347.71	11.26	-17.75
CC1=CC(C([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])=CC(C)=C1	REAL300018010906	0	41	0.0	-30.85	349.03	9.98	-20.87
CC1=CC(C)=CC(C([NH2+]CC2=CN=C3C=CC=C(C)N23)C(=O)[O-])=C1	REAL300018010907	1	45	0.0	-33.59	355.65	11.09	-22.50
CC1=CC(C([NH2+]C(C)CCC2=NNC3=CC=CC=C32)C(=O)[O-])=CC(C)=C1	REAL300018010908	0	51	0.0	-36.46	402.16	10.98	-25.48
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010909	0	51	0.0	-29.93	388.56	12.20	-17.73
CC1=CC(C([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010910	0	42	0.0	-31.79	355.02	11.40	-20.39
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010911	0	46	0.0	-31.29	371.34	9.94	-21.35
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010912	0	51	0.0	-26.43	372.18	9.14	-17.29
CC1=CC(C([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])=CC(C)=C1	REAL300018010913	0	44	0.0	-40.40	364.32	10.67	-29.73
CC1=CC(C)=CC(C([NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])=C1	REAL300018010914	0	47	0.0	-33.04	378.15	11.43	-21.61
CC1=CC(C([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])=CC(C)=C1	REAL300018010915	0	51	0.0	-30.91	371.59	11.30	-19.61
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1C	REAL300018010916	0	52	0.0	-31.21	409.83	12.00	-19.21
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010918	0	49	0.0	-32.15	390.82	11.85	-20.30
CC1=CC(C([NH2+]CC2=C3N=CC(Br)=CN3N=C2)C(=O)[O-])=CC(C)=C1	REAL300018010920	0	41	0.0	-28.41	360.19	9.74	-18.67
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])=C1	REAL300018010922	0	41	0.0	-28.59	332.32	8.32	-20.27
CC1=CC(C([NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=CC(C)=C1	REAL300018010923	0	57	0.0	-31.28	419.39	10.91	-20.37
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])=C1	REAL300018010924	0	42	0.0	-32.26	352.37	11.20	-21.06
CC1=CC(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])=CC(C)=C1	REAL300018010926	0	46	0.0	-28.42	360.49	12.03	-16.39
CC1=CC(C([NH2+]CC2=CN=C3C=CC(Br)=CN23)C(=O)[O-])=CC(C)=C1	REAL300018010929	0	42	0.0	-32.00	365.04	11.27	-20.73
CC1=CC(C)=CC(C([NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])=C1	REAL300018010930	1	44	0.0	-27.00	353.72	10.48	-16.52
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010931	0	57	0.0	-32.10	453.02	15.03	-17.07
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1F	REAL300018010932	0	53	0.0	-34.92	418.70	11.44	-23.48
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C(SC)C=C1OC	REAL300018010933	0	51	0.0	-28.55	410.64	10.33	-18.22
CC1=CC(C)=CC(C([NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)C(=O)[O-])=C1	REAL300018010934	0	59	0.0	-32.95	435.91	10.91	-22.04
CC1=CC(C([NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])=CC(C)=C1	REAL300018010935	0	50	0.0	-40.54	393.43	12.71	-27.83
CC1=CC(C([NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C(=O)[O-])=CC(C)=C1	REAL300018010936	0	55	0.0	-29.06	407.99	13.89	-15.17
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=CC2=CC=CC=C21	REAL300018010939	0	49	0.0	-32.98	392.68	11.86	-21.12
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010940	0	45	0.0	-33.11	364.52	8.67	-24.44
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010941	0	46	0.0	-31.53	374.66	10.53	-21.00
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1	REAL300018010942	0	49	0.0	-34.68	382.38	10.81	-23.87
CC1=CC(C)=CC(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300018010944	1	48	0.0	-55.21	360.31	9.70	-45.51
CC1=CC(C)=CC(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300018010944	1	48	0.0	-55.34	360.36	9.66	-45.68
CC1=CC(C)=CC(C([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])=C1	REAL300018010945	0	55	0.0	-30.96	384.89	12.09	-18.87
CC1=CC(C)=CC(C([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300018010946	0	48	0.0	-31.00	363.24	11.78	-19.22
CC1=CC(C([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])=CC(C)=C1	REAL300018010947	0	47	0.0	-34.33	370.06	11.26	-23.07
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)C=CC=C12	REAL300018010948	0	49	0.0	-29.60	385.63	11.70	-17.90
CC1=CC(C)=CC(C([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])=C1	REAL300018010950	0	47	0.0	-33.34	369.90	10.59	-22.75
CC1=CC(C([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010951	0	48	0.0	-29.57	378.43	12.18	-17.39
CC1=CC(C([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010953	0	50	0.0	-34.29	395.53	13.22	-21.07
CC1=CC(C)=CC(C([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])=C1	REAL300018010954	0	53	0.0	-31.25	376.85	9.75	-21.50
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1C	REAL300018010955	0	45	0.0	-30.64	353.46	8.25	-22.39
CC1=CC(C([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])=CC(C)=C1	REAL300018010956	0	42	0.0	-37.99	359.87	11.52	-26.47
CC1=CC(C([NH2+]CC2=CC3=CN=CC=C3O2)C(=O)[O-])=CC(C)=C1	REAL300018010957	1	41	0.0	-31.18	340.84	9.06	-22.12
CC1=CC(C([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])=CC(C)=C1	REAL300018010958	0	39	0.0	-29.73	347.77	10.54	-19.19
CC1=CC(C)=CC(C([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])=C1	REAL300018010959	1	46	0.0	-32.25	371.04	10.85	-21.40
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300018010960	0	49	0.0	-34.52	371.27	9.59	-24.93
CC1=CC(C([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=CC(C)=C1	REAL300018010961	0	39	0.0	-31.19	348.86	10.41	-20.78
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(C)=C1	REAL300018010962	0	52	0.0	-28.94	403.91	11.84	-17.10
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC1CC1	REAL300018010963	0	51	0.0	-34.89	408.01	11.13	-23.76
CC1=CC(C)=CC(C([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])=C1	REAL300018010964	0	52	0.0	-30.55	373.00	11.73	-18.82
CC1=CC(C([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])=CC(C)=C1	REAL300018010965	0	41	0.0	-33.92	347.65	9.35	-24.57
CC1=CC(C)=CC(C([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])=C1	REAL300018010966	0	49	0.0	-29.84	367.36	12.17	-17.67
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300018010968	0	51	0.0	-31.03	365.20	10.98	-20.05
CC1=CC(C)=CC(C([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300018010969	0	49	0.0	-34.70	368.44	12.22	-22.48
CC1=CC(C([NH2+]CC2=CN(C)N=C2C(F)F)C(=O)[O-])=CC(C)=C1	REAL300018010970	0	42	0.0	-28.84	346.51	8.86	-19.98
CC1=CC(C([NH2+]C(C)C2CCCCCC2)C(=O)[O-])=CC(C)=C1	REAL300018010971	0	51	0.0	-28.99	359.89	11.31	-17.68
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300018010973	0	54	0.0	-30.74	378.34	11.47	-19.27
CC1=CC(C([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])=CC(C)=C1	REAL300018010974	0	47	0.0	-29.20	363.12	10.16	-19.04
CC1=CC(C)=CC(C([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300018010975	0	46	0.0	-35.92	366.51	12.14	-23.78
CC1=CC(C)=CC(C([NH2+]C(C)CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018010976	0	48	0.0	-31.76	377.57	11.90	-19.86
CC1=CC(C)=CC(C([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018010977	0	44	0.0	-36.52	372.44	5.21	-31.31
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)NC2=C1	REAL300018010979	0	46	0.0	-31.52	371.47	10.86	-20.66
CC1=CC(C)=CC(C([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018010981	0	55	0.0	-30.02	406.33	13.50	-16.52
CC1=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(C)=CC(C)=C3)C=C2)=CC(C)=C1	REAL300018010983	0	55	0.0	-31.49	433.30	14.94	-16.55
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(=O)[O-])=C1	REAL300018010984	0	48	0.0	-38.74	385.82	13.68	-25.06
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)CC1	REAL300018010985	0	51	0.0	-31.96	365.87	11.28	-20.68
CC1=CC(C([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010986	0	51	0.0	-30.29	355.01	10.72	-19.57
CC1=CC(C([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])=CC(C)=C1	REAL300018010987	0	57	0.0	-32.22	398.42	12.13	-20.09
CC1=CC(C)=CC(C([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])=C1	REAL300018010989	0	46	0.0	-35.01	382.57	10.81	-24.20
CC1=CC(C([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])=CC(C)=C1	REAL300018010990	0	46	0.0	-33.29	380.77	8.54	-24.75
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C(Br)=C1	REAL300018010991	0	43	0.0	-26.04	363.97	10.08	-15.96
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)=C1	REAL300018010992	0	46	0.0	-30.76	371.95	9.95	-20.81
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010993	0	49	0.0	-32.41	414.17	12.52	-19.89
CC1=CC(C([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])=CC(C)=C1	REAL300018010995	0	50	0.0	-33.30	418.80	14.37	-18.93
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC(C)=CC(C)=C1	REAL300018010996	0	56	0.0	-40.40	424.57	11.17	-29.23
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)C=C1OC	REAL300018010997	0	50	0.0	-32.41	389.81	10.00	-22.41
CC1=CC(C([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])=CC(C)=C1	REAL300018010998	0	46	0.0	-28.16	355.74	12.09	-16.07
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC(C)=CC(C)=C2)S1	REAL300018010999	1	39	0.0	-29.68	350.82	10.77	-18.91
CC1=CC(C([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])=CC(C)=C1	REAL300018011000	0	42	0.0	-39.67	351.58	11.13	-28.54
CC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018011848	0	42	0.0	-40.74	332.34	10.61	-30.13
CC(C[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018011850	0	41	0.0	-50.93	347.26	11.02	-39.91
CC(C[NH2+]C1CC(C)(C)CC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011851	0	54	0.0	-35.61	374.85	11.24	-24.37
CC(C[NH2+]C1CCC2=CC(Br)=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011852	0	46	0.0	-43.35	369.38	12.09	-31.26
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011853	0	52	0.0	-39.63	394.49	12.09	-27.54
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=C1OC	REAL300018011854	0	47	0.0	-50.23	385.38	9.71	-40.52
CC(C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011855	0	46	0.0	-42.86	371.98	12.54	-30.32
CC(C[NH2+]CC1=CC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011856	0	42	0.0	-39.41	343.01	11.45	-27.96
CC(C)OC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011857	0	49	0.0	-41.34	373.74	10.77	-30.57
CCCCCCCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011858	0	61	0.0	-41.27	463.47	14.07	-27.20
CC(C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018011859	0	60	0.0	-39.43	438.58	14.28	-25.15
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1F	REAL300018011860	0	42	0.0	-47.17	337.51	10.63	-36.54
CC(C[NH2+]CC1=C2NC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011861	0	43	0.0	-40.81	336.98	9.91	-30.90
CC(C[NH2+]CC1=CSC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011862	0	38	0.0	-57.79	330.82	9.73	-48.06
CC(C[NH2+]CC1=CC=CC=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011863	0	52	0.0	-37.84	389.57	9.42	-28.42
CC(C)CC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011864	0	51	0.0	-39.12	385.77	12.61	-26.51
CC1=CC=C(C2=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)=C2)C=C1	REAL300018011865	0	52	0.0	-45.75	406.40	14.01	-31.74
COC1=CC=C(Br)C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018011866	0	43	0.0	-35.41	350.52	9.79	-25.62
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300018011867	0	45	0.0	-50.06	361.14	10.65	-39.41
CC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011868	0	39	0.0	-46.90	344.24	10.94	-35.96
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018011869	0	52	0.0	-45.38	406.84	14.01	-31.37
CC(C[NH2+]CC1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011870	0	43	0.0	-48.52	350.04	9.51	-39.01
CCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCC	REAL300018011871	0	53	0.0	-48.16	413.24	10.97	-37.19
CC(C)C1CCC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018011872	0	51	0.0	-35.60	355.04	11.25	-24.35
CC(C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011873	0	42	0.0	-48.83	357.52	11.32	-37.51
CC(C[NH2+]CC1=CC=C(F)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018011874	0	39	0.0	-42.81	328.31	10.53	-32.28
CC(C[NH2+]CC1=CC=C2OC(F)(F)OC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011875	0	42	0.0	-50.92	350.39	9.03	-41.89
CC(C[NH2+]CC1=CC=NC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018011876	0	44	0.0	-45.84	342.06	10.17	-35.67
CC(C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011877	0	43	0.0	-44.43	351.62	9.69	-34.74
CC(C[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011878	0	45	0.0	-51.95	365.31	7.44	-44.51
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011879	0	53	0.0	-46.48	419.00	12.99	-33.49
CC(CCOCC1=CC=CC=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011880	0	52	0.0	-38.45	397.46	11.38	-27.07
CC(C[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011881	0	46	0.0	-41.49	365.00	12.20	-29.29
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011882	0	49	0.0	-46.18	401.72	13.87	-32.31
CC(C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011883	0	49	0.0	-46.32	401.73	13.86	-32.46
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C12	REAL300018011884	0	49	0.0	-43.04	374.94	11.40	-31.64
CCC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018011885	0	42	0.0	-40.84	344.37	10.61	-30.23
CN1C2=CC=CC=C2N=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011886	0	45	0.0	-50.01	352.03	10.25	-39.76
CC(C[NH2+]CC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011887	0	44	0.0	-43.47	341.51	9.74	-33.73
CC(C[NH2+]CC1=CSC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011888	0	36	0.0	-41.45	318.13	9.66	-31.79
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011889	0	52	0.0	-45.50	415.52	11.51	-33.99
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011890	0	52	0.0	-43.34	415.57	11.49	-31.85
CC(C[NH2+]CC1=CC=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011891	0	50	0.0	-42.83	379.54	9.82	-33.01
CC(C[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011892	0	47	0.0	-54.63	384.37	6.64	-47.99
CC(C[NH2+]CC1=C2C=CNC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011893	0	43	0.0	-43.66	341.96	9.95	-33.71
CC(C[NH2+]CC1=CC=C2C=CNC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011894	0	43	0.0	-45.77	342.15	9.96	-35.81
CC(CC1=CC=CS1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011895	0	42	0.0	-38.57	335.90	10.39	-28.18
CC(C[NH2+]CC1=CC=CC2=C1OC(F)(F)O2)(C(=O)[O-])C1=CC=CC=C1	REAL300018011896	0	42	0.0	-53.49	350.34	9.02	-44.47
CC1=CC(F)=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011897	0	42	0.0	-46.04	331.99	10.62	-35.42
CC(C[NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011898	0	53	0.0	-42.59	396.24	11.73	-30.86
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011899	0	54	0.0	-39.89	390.05	12.85	-27.04
CN(C)C1=CC=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011900	0	47	0.0	-40.69	362.04	9.93	-30.76
CC(C[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011901	0	48	0.0	-44.79	374.85	11.55	-33.24
CC(C[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011902	0	48	0.0	-48.09	380.20	11.58	-36.51
CN1CCN(C2=CC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300018011903	1	56	0.0	-41.02	413.84	8.63	-32.39
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011904	0	55	0.0	-43.32	414.98	7.47	-35.85
CC(C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011905	0	48	0.0	-49.97	392.12	8.42	-41.55
CC(C[NH2+]C1CCN(C2=CN=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011906	0	49	0.0	-43.27	368.59	7.75	-35.52
CC(C[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011907	0	54	0.0	-42.91	418.08	11.01	-31.90
CC(C[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011908	0	54	0.0	-43.32	418.27	10.97	-32.35
CC(C[NH2+]C1CCN(CC2=CC=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011909	0	53	0.0	-45.92	397.49	8.46	-37.46
CC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011910	0	46	0.0	-51.84	376.03	11.21	-40.63
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011911	0	52	0.0	-43.27	419.74	12.54	-30.73
CC(C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011912	0	46	0.0	-47.42	381.18	11.64	-35.78
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011913	0	52	0.0	-52.04	421.76	12.28	-39.76
CC(C)(C)N1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018011914	0	48	0.0	-44.70	373.53	9.75	-34.95
CC(C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011916	0	46	0.0	-47.15	381.71	10.62	-36.53
CC(C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018011918	0	43	0.0	-45.37	365.41	10.08	-35.29
CC(C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011919	0	46	0.0	-43.47	395.36	13.22	-30.25
CC(C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011920	0	49	0.0	-47.77	388.11	8.43	-39.34
COC1=CC=CC(C2=NNC=C2C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018011921	0	50	0.0	-50.83	391.16	9.07	-41.76
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OCC(F)(F)F	REAL300018011922	0	50	0.0	-46.37	405.80	10.49	-35.88
CC(C[NH2+]CC1=CN=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011923	0	49	0.0	-51.20	379.80	9.81	-41.39
CC(C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011924	0	52	0.0	-48.07	416.93	11.44	-36.63
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011925	0	52	0.0	-44.30	409.65	11.50	-32.80
CC(C)C1=NN(C)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011927	0	48	0.0	-43.83	370.83	9.55	-34.28
COCCOC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018011928	0	50	0.0	-43.87	390.60	9.41	-34.46
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018011929	0	43	0.0	-45.89	351.15	9.76	-36.13
CC(C[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011930	0	45	0.0	-46.58	383.51	11.47	-35.11
CC(C[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011931	0	44	0.0	-39.88	365.88	8.83	-31.05
CC(C[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018011932	0	47	0.0	-50.33	369.16	9.64	-40.69
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011933	0	51	0.0	-44.49	392.17	11.50	-32.99
COC1=NC=C(Br)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011934	0	42	0.0	-41.99	352.72	7.26	-34.73
COC1=NC=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011935	0	42	0.0	-43.34	331.39	6.68	-36.66
CC(C[NH2+]CC1=CC=C(Br)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011936	0	38	0.0	-38.42	321.91	8.69	-29.73
CC(C[NH2+]CC1=CN=C(N2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011937	0	48	0.0	-47.02	384.47	7.24	-39.78
CC(C[NH2+]CC1=CC=CC2=NC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018011938	0	44	0.0	-49.50	346.88	10.18	-39.32
CC(C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011939	0	46	0.0	-48.39	381.71	10.62	-37.77
CC(C[NH2+]CC1=CC=CC2=C1OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018011940	0	45	0.0	-41.99	348.54	9.12	-32.87
CC(C[NH2+]CC1=CC=CC2=C1OCCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018011941	0	48	0.0	-40.29	365.44	9.92	-30.37
CC(C[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011942	0	46	0.0	-39.34	365.13	12.21	-27.13
CC(C[NH2+]C1CC(C2=CC=CC(Br)=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011943	0	46	0.0	-39.22	369.70	12.31	-26.91
CC(C[NH2+]C1CC(C2=CC=CC=C2Cl)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011944	0	46	0.0	-41.66	368.30	12.11	-29.55
CC(C[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011945	0	47	0.0	-48.27	373.78	11.20	-37.07
CC(C[NH2+]CC1=CN=C(N2CCOCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011946	0	50	0.0	-51.85	388.93	8.31	-43.54
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011947	0	51	0.0	-40.03	389.60	11.89	-28.14
CCCOC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018011948	0	49	0.0	-45.75	383.64	10.96	-34.79
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CC(C[NH2+]CC1=CSC(C2CC2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011964	0	42	0.0	-36.56	342.07	9.14	-27.42
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011965	0	53	0.0	-46.90	425.77	13.38	-33.52
CC(C[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011966	0	49	0.0	-43.88	407.22	10.25	-33.63
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CC(CCC1=CC=CC(F)=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011968	0	48	0.0	-43.22	369.85	12.16	-31.06
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CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011970	0	51	0.0	-44.09	406.80	13.08	-31.01
CC1=CC=C(CCC(C)[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011971	0	51	0.0	-40.71	389.16	12.73	-27.98
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CC(C)=CCOC1=CC=C(CCC(C)[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011976	0	62	0.0	-39.27	466.00	14.28	-24.99
CC(C)(C)C1=NC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300018011977	0	47	0.0	-39.94	377.49	9.48	-30.46
CC(C[NH2+]CC1=CSC(C2=CSC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011978	0	42	0.0	-37.45	361.50	9.64	-27.81
CC(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011979	0	46	0.0	-44.11	385.04	12.78	-31.33
CC(C[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011980	0	51	0.0	-43.94	389.92	10.62	-33.32
CC(C[NH2+]CC1=CC2=NC=CN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011981	0	43	0.0	-50.21	346.83	8.35	-41.86
CC(C[NH2+]CC1=CC=CC=C1OC1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011982	0	53	0.0	-41.92	404.50	12.19	-29.73
CC(C[NH2+]CC1=CN2C=C(Cl)C=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011983	0	42	0.0	-43.12	354.48	10.95	-32.17
CC(C)(C)C1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018011984	0	47	0.0	-40.82	372.46	9.70	-31.12
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C(C)S1	REAL300018011986	0	42	0.0	-38.01	334.74	10.44	-27.57
CC1=CC=C(C2=CC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1	REAL300018011987	0	49	0.0	-39.35	394.87	13.36	-25.99
CC(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018011988	0	45	0.0	-46.01	371.71	10.21	-35.80
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018011989	0	43	0.0	-47.91	373.03	10.37	-37.54
C#CCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018011990	0	45	0.0	-43.63	361.76	10.70	-32.93
CC(C[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011991	0	50	0.0	-46.51	414.02	12.99	-33.52
CCOC1=C(OC)C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018011992	0	54	0.0	-47.85	419.38	9.97	-37.88
CC(C[NH2+]C1CCN(CC2=CC=NC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018011993	0	53	0.0	-44.75	396.34	8.73	-36.02
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O=C([O-])C1=CC(NC2CC[NH+](CCN3CCOCC3)CC2)=CC2=CC=CC=C21	REAL300018043619	0	57	0.0	-73.65	420.28	8.30	-65.35
CC1CCCCC1[NH+]1CCC(NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CC1	REAL300018043639	0	57	0.0	-66.40	400.77	12.69	-53.71
CC(C)(CNC1=CC2=CC=CC=C2C(C(=O)[O-])=C1)[NH+]1CCOCC1	REAL300018043676	0	48	0.0	-69.24	350.04	8.57	-60.67
CC1CC(NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018043775	0	54	0.0	-73.02	391.61	13.56	-59.46
CC1CC(NC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018043775	1	54	0.0	-68.25	407.54	13.24	-55.01
O=C([O-])C1=CC(NC2CC[N@@H+]3CCCC3C2)=CC2=CC=CC=C21	REAL300018043807	0	45	0.0	-66.58	337.21	10.26	-56.32
O=C([O-])C1=CC(NC2CC[N@H+]3CCCC3C2)=CC2=CC=CC=C21	REAL300018043807	1	45	0.0	-66.80	337.14	10.31	-56.49
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300018043811	0	51	0.0	-72.64	391.54	13.05	-59.59
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300018043811	1	51	0.0	-73.07	392.22	13.00	-60.07
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300018043892	0	56	0.0	-72.24	412.80	13.65	-58.59
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC2=CC=CC=C2C(C(=O)[O-])=C1	REAL300018043892	1	56	0.0	-72.10	415.99	13.78	-58.32
C[NH+]1CCN(C2=NC=C(CNC3=CC4=CC=CC=C4C(C(=O)[O-])=C3)C=N2)CC1	REAL300018043897	1	51	0.0	-79.28	400.96	10.44	-68.84
C[NH+](C)CCC1=CC=C(CNC2=CC3=CC=CC=C3C(C(=O)[O-])=C2)C=C1	REAL300018043965	0	50	0.0	-80.42	395.54	12.54	-67.88
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300018048556	0	39	0.0	-35.66	340.84	10.64	-25.02
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048558	0	45	0.0	-31.99	361.33	10.95	-21.04
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC(C)(C)C1	REAL300018048559	0	51	0.0	-33.06	382.99	11.19	-21.87
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048560	0	49	0.0	-37.26	398.78	12.03	-25.23
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048561	0	43	0.0	-34.40	381.48	12.55	-21.85
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048562	0	39	0.0	-34.56	351.86	11.50	-23.06
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048563	0	46	0.0	-33.11	383.40	10.78	-22.33
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1F	REAL300018048564	0	39	0.0	-34.08	339.52	10.60	-23.48
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048565	0	40	0.0	-32.09	344.16	9.91	-22.18
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048566	1	35	0.0	-38.26	334.49	9.76	-28.50
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048567	0	45	0.0	-32.63	345.63	10.19	-22.44
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048568	0	48	0.0	-31.67	395.32	12.62	-19.05
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=C2)C=C1	REAL300018048569	0	49	0.0	-33.02	409.76	14.02	-19.00
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC(C)=C1	REAL300018048570	0	42	0.0	-31.30	355.96	11.25	-20.05
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1[N+](=O)[O-]	REAL300018048571	0	42	0.0	-40.05	369.64	10.67	-29.38
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048572	0	36	0.0	-33.63	347.91	10.97	-22.66
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048573	0	49	0.0	-34.34	410.19	14.02	-20.32
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048574	0	40	0.0	-34.57	353.39	9.52	-25.05
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1OCC	REAL300018048575	0	50	0.0	-35.09	415.25	10.94	-24.15
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048577	0	48	0.0	-33.55	368.78	11.02	-22.53
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048578	0	34	0.0	-35.98	303.75	7.94	-28.04
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048579	0	39	0.0	-39.79	352.75	9.03	-30.76
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048580	0	41	0.0	-33.54	348.64	10.13	-23.41
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048581	0	40	0.0	-32.69	358.82	9.70	-22.99
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048582	0	42	0.0	-41.15	374.81	7.46	-33.69
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048583	0	39	0.0	-29.28	311.14	9.74	-19.54
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048584	0	49	0.0	-34.40	401.03	11.26	-23.14
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048585	0	43	0.0	-36.00	369.74	12.01	-23.99
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048586	0	37	0.0	-33.16	303.34	6.89	-26.27
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048587	0	47	0.0	-31.63	367.52	11.03	-20.60
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048588	0	44	0.0	-32.65	339.28	10.20	-22.45
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048589	0	39	0.0	-29.64	347.73	10.62	-19.02
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048590	0	38	0.0	-31.91	319.81	7.73	-24.18
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048592	0	41	0.0	-34.34	349.02	9.77	-24.57
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048593	0	33	0.0	-34.11	324.78	9.60	-24.51
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048594	0	47	0.0	-35.36	388.39	9.87	-25.49
O=C([O-])C([NH2+]CC1=CN=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048595	0	32	0.0	-32.93	297.88	7.17	-25.76
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048596	0	40	0.0	-31.00	343.98	9.92	-21.08
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048597	0	36	0.0	-32.20	312.35	9.01	-23.19
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048598	0	40	0.0	-33.80	345.82	9.98	-23.82
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048599	0	39	0.0	-34.72	335.38	8.05	-26.67
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048600	0	39	0.0	-30.38	335.15	10.27	-20.11
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048601	0	39	0.0	-40.07	352.38	8.99	-31.08
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CC=C2O1	REAL300018048602	0	50	0.0	-33.78	403.45	11.73	-22.05
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048603	0	51	0.0	-31.87	387.26	12.81	-19.06
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048604	0	45	0.0	-34.32	381.43	11.52	-22.80
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048605	0	45	0.0	-36.60	383.54	11.59	-25.01
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048607	0	46	0.0	-37.84	373.90	7.75	-30.09
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048608	0	50	0.0	-33.69	399.93	8.42	-25.27
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048609	0	43	0.0	-38.81	379.69	11.24	-27.57
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048610	0	45	0.0	-35.78	377.21	9.78	-26.00
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048611	0	36	0.0	-34.62	313.75	7.51	-27.11
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048612	0	46	0.0	-36.36	383.49	9.84	-26.52
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048614	0	47	0.0	-37.05	399.13	9.43	-27.62
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1Cl	REAL300018048615	0	40	0.0	-33.83	359.65	9.78	-24.05
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048617	0	39	0.0	-29.10	338.53	6.67	-22.43
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048618	0	35	0.0	-36.36	330.43	8.70	-27.66
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048619	0	41	0.0	-33.96	344.82	10.04	-23.92
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048620	0	35	0.0	-32.57	319.83	7.88	-24.69
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048621	0	42	0.0	-33.89	355.69	9.12	-24.77
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048622	0	45	0.0	-29.27	375.74	9.92	-19.35
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048623	0	43	0.0	-36.64	372.70	12.16	-24.48
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048624	0	43	0.0	-32.54	367.07	11.98	-20.56
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048625	0	44	0.0	-37.02	381.98	11.19	-25.83
O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048626	0	47	0.0	-37.39	391.30	8.31	-29.08
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048627	0	46	0.0	-34.18	385.68	10.93	-23.25
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048628	0	38	0.0	-32.64	318.98	10.25	-22.39
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048629	0	45	0.0	-34.37	392.76	11.48	-22.89
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048630	0	43	0.0	-31.63	378.86	12.48	-19.15
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C=NC2=NN1	REAL300018048631	0	41	0.0	-45.44	356.21	8.45	-36.99
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048632	0	37	0.0	-35.44	323.67	7.85	-27.59
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048633	0	50	0.0	-34.42	408.21	12.13	-22.29
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048634	0	38	0.0	-32.37	341.31	8.64	-23.73
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048635	0	39	0.0	-33.81	340.98	10.37	-23.44
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048637	0	46	0.0	-32.39	382.09	10.75	-21.64
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048641	0	45	0.0	-37.38	373.29	12.04	-25.34
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048642	0	48	0.0	-34.24	388.28	12.64	-21.60
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048643	0	48	0.0	-33.92	392.36	12.72	-21.20
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048644	0	39	0.0	-33.87	322.72	9.38	-24.49
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048645	0	51	0.0	-34.04	409.61	10.48	-23.56
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048646	0	48	0.0	-55.97	380.23	10.37	-45.60
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048649	0	40	0.0	-39.16	348.84	8.32	-30.84
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048650	1	39	0.0	-37.92	358.17	10.97	-26.95
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048652	0	50	0.0	-56.43	390.97	10.41	-46.02
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C(C)S1	REAL300018048653	0	39	0.0	-29.30	339.36	10.35	-18.95
CC([NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCC1	REAL300018048654	0	42	0.0	-33.93	325.00	9.61	-24.32
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048655	0	42	0.0	-36.22	371.26	10.71	-25.51
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048656	0	50	0.0	-34.69	400.24	8.71	-25.98
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048657	0	50	0.0	-50.84	380.07	9.65	-41.19
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1SC	REAL300018048658	0	44	0.0	-35.15	383.03	10.28	-24.87
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1OC	REAL300018048659	0	50	0.0	-31.42	417.71	10.14	-21.28
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048660	0	43	0.0	-35.96	373.54	9.86	-26.10
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048661	0	42	0.0	-33.36	330.86	10.01	-23.35
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048663	0	39	0.0	-28.25	323.92	7.63	-20.62
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048664	0	48	0.0	-35.56	384.12	12.40	-23.16
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048665	1	42	0.0	-32.42	367.05	9.76	-22.66
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1Cl	REAL300018048667	0	44	0.0	-33.51	393.09	11.26	-22.25
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048668	0	42	0.0	-34.31	379.15	10.96	-23.35
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048669	0	42	0.0	-31.30	335.80	9.88	-21.42
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C2OC(C)CC2=C1	REAL300018048670	0	48	0.0	-33.77	399.24	9.78	-23.99
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C2=CC=CC=C21	REAL300018048671	0	42	0.0	-35.11	364.42	9.88	-25.23
CN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048672	1	36	0.0	-35.78	317.01	7.64	-28.14
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048673	0	39	0.0	-35.41	339.71	8.52	-26.89
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300018048674	0	44	0.0	-37.05	375.06	9.48	-27.57
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048675	1	39	0.0	-32.35	349.70	9.35	-23.00
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048676	0	57	0.0	-51.24	420.25	11.77	-39.47
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CC=C2O1	REAL300018048677	0	47	0.0	-34.07	390.57	11.18	-22.89
CC1=NSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048678	0	35	0.0	-36.12	319.35	8.32	-27.80
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048681	0	39	0.0	-30.46	333.86	10.10	-20.36
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048683	0	38	0.0	-33.34	321.08	8.66	-24.68
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048684	0	45	0.0	-27.77	365.54	10.59	-17.18
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N1C	REAL300018048685	0	44	0.0	-35.13	372.78	9.01	-26.12
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048687	0	42	0.0	-27.89	343.19	8.31	-19.58
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048688	0	49	0.0	-33.30	405.76	11.62	-21.68
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048689	0	47	0.0	-36.35	399.10	9.43	-26.92
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048690	0	45	0.0	-27.39	358.13	8.72	-18.67
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048691	0	37	0.0	-36.13	302.66	6.90	-29.23
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048692	0	48	0.0	-33.31	367.81	11.12	-22.19
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048693	0	47	0.0	-30.26	375.33	10.79	-19.47
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048694	0	43	0.0	-31.97	358.66	11.84	-20.13
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048695	0	45	0.0	-30.10	359.62	11.58	-18.52
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048696	0	45	0.0	-35.58	370.24	11.91	-23.67
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)OCO2	REAL300018048697	0	43	0.0	-32.32	367.30	7.94	-24.38
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)SC=C1	REAL300018048698	0	37	0.0	-31.61	334.25	8.33	-23.28
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048699	0	49	0.0	-33.92	405.79	11.63	-22.29
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048700	0	42	0.0	-33.17	357.21	12.02	-21.15
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048701	0	43	0.0	-35.96	346.25	8.45	-27.51
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048702	0	40	0.0	-35.13	334.73	9.98	-25.15
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048703	0	45	0.0	-31.58	344.59	10.62	-20.96
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=C2O1	REAL300018048704	0	47	0.0	-33.95	390.10	11.12	-22.83
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=CC(C(F)(F)F)=C1	REAL300018048706	1	35	0.0	-32.61	320.62	8.65	-23.96
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC(C(F)(F)F)=C1	REAL300018048707	0	35	0.0	-33.77	321.08	8.65	-25.12
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=NN1C	REAL300018048708	1	39	0.0	-35.01	335.51	8.10	-26.91
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048709	0	42	0.0	-30.59	362.81	12.08	-18.51
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048710	0	40	0.0	-35.83	347.08	8.52	-27.31
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048711	0	43	0.0	-40.55	372.51	11.13	-29.42
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048713	0	39	0.0	-30.51	328.97	10.01	-20.50
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N1C	REAL300018048714	0	39	0.0	-32.20	332.60	8.84	-23.36
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048715	0	41	0.0	-36.87	355.45	10.43	-26.44
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048716	0	40	0.0	-33.60	339.16	9.51	-24.09
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048717	0	44	0.0	-46.28	367.10	5.74	-40.54
O=C([O-])C([NH2+]CC1=CC=C(F)C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048718	0	35	0.0	-36.82	314.20	8.15	-28.67
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)SC=N1	REAL300018048719	0	35	0.0	-31.41	315.09	7.64	-23.77
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048720	0	40	0.0	-34.10	350.37	9.33	-24.77
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048721	0	40	0.0	-34.69	335.22	8.24	-26.45
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048722	0	46	0.0	-35.12	384.45	9.85	-25.27
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=CO1	REAL300018048724	0	36	0.0	-30.31	312.16	8.69	-21.62
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(Cl)=C1	REAL300018048725	0	39	0.0	-31.84	347.64	11.06	-20.78
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048726	0	38	0.0	-40.36	353.47	10.94	-29.42
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048727	0	39	0.0	-39.46	352.36	11.22	-28.24
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC(C(F)(F)F)=C1	REAL300018048729	0	41	0.0	-32.57	369.59	10.96	-21.61
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC(C(F)(F)F)=C1	REAL300018048730	0	41	0.0	-28.48	363.90	10.73	-17.75
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048731	0	41	0.0	-40.02	364.41	8.47	-31.55
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC(C(F)(F)F)=C1	REAL300018048732	1	38	0.0	-39.16	351.81	10.98	-28.18
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300018048733	0	43	0.0	-33.13	346.11	8.52	-24.61
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CCO1	REAL300018048734	0	46	0.0	-32.87	361.69	8.99	-23.88
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048735	0	46	0.0	-31.19	374.89	12.37	-18.82
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048736	0	55	0.0	-29.88	403.33	13.12	-16.76
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048737	0	50	0.0	-32.62	373.85	11.61	-21.01
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048738	0	39	0.0	-33.24	323.73	9.57	-23.67
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048739	0	45	0.0	-35.23	371.54	11.90	-23.33
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1C(C)(C)C	REAL300018048740	0	52	0.0	-32.75	413.48	11.88	-20.87
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048742	0	49	0.0	-31.07	393.22	11.04	-20.03
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCCC1	REAL300018048743	0	48	0.0	-33.06	368.65	11.34	-21.72
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048744	0	41	0.0	-40.67	366.43	4.83	-35.84
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048746	0	43	0.0	-33.73	364.25	11.84	-21.89
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C)=C1	REAL300018048748	0	46	0.0	-31.64	380.29	10.77	-20.87
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048749	0	43	0.0	-31.92	362.67	9.95	-21.97
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048750	0	38	0.0	-29.57	351.13	9.12	-20.45
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048751	0	46	0.0	-36.44	378.70	12.26	-24.18
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048753	0	40	0.0	-32.10	359.66	8.77	-23.33
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048754	0	42	0.0	-29.58	369.23	11.40	-18.18
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N=C1	REAL300018048755	0	38	0.0	-34.95	329.23	8.72	-26.23
O=C([O-])C([NH2+]CC1=CC=NS1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048756	0	32	0.0	-36.02	296.99	7.70	-28.32
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=CC=C1[N+](=O)[O-]	REAL300018048758	0	41	0.0	-40.47	346.58	10.88	-29.59
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1Cl	REAL300018048759	0	40	0.0	-35.43	359.65	9.78	-25.65
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CS1	REAL300018048760	0	36	0.0	-31.38	325.98	9.68	-21.70
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048761	0	39	0.0	-35.13	340.47	10.25	-24.88
O=C([O-])C([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048762	1	43	0.0	-37.21	371.71	11.03	-26.18
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048763	0	35	0.0	-35.44	340.52	8.37	-27.07
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048764	0	37	0.0	-34.24	308.94	9.44	-24.80
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048765	0	42	0.0	-34.85	356.07	9.00	-25.85
O=C([O-])C([NH2+]CC1=NN2CCCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048766	1	43	0.0	-34.73	357.75	9.27	-25.46
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048767	0	42	0.0	-31.29	355.70	11.33	-19.96
COC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048768	0	36	0.0	-34.66	331.63	5.54	-29.12
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048769	0	40	0.0	-35.89	353.01	11.53	-24.36
CC1=NC=CN=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048770	0	37	0.0	-29.44	317.99	6.64	-22.80
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048771	0	43	0.0	-32.96	343.68	10.59	-22.37
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048772	0	41	0.0	-36.15	353.90	7.31	-28.84
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048773	0	39	0.0	-33.71	357.68	10.87	-22.84
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048774	0	43	0.0	-30.69	329.99	10.05	-20.64
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CN=C12	REAL300018048775	0	42	0.0	-33.59	362.43	10.96	-22.63
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CN=C1Cl	REAL300018048777	0	36	0.0	-36.08	329.16	8.77	-27.31
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CN=C1Br	REAL300018048778	0	36	0.0	-36.33	334.77	8.83	-27.50
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048779	1	42	0.0	-42.58	371.52	9.76	-32.82
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048780	0	36	0.0	-37.81	335.20	7.27	-30.54
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048782	0	40	0.0	-34.06	352.53	9.95	-24.11
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048783	0	40	0.0	-35.15	350.49	9.89	-25.26
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048784	0	42	0.0	-36.49	363.50	7.55	-28.94
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048785	0	39	0.0	-32.03	338.00	10.83	-21.20
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048786	0	38	0.0	-36.71	345.27	9.67	-27.04
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)N21	REAL300018048787	0	42	0.0	-34.27	351.12	10.79	-23.48
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048788	0	48	0.0	-33.79	396.75	10.61	-23.18
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048789	0	48	0.0	-32.17	384.40	11.86	-20.31
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048790	0	45	0.0	-32.19	362.90	11.08	-21.11
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048791	0	39	0.0	-31.67	352.59	11.13	-20.54
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048792	0	43	0.0	-33.43	367.26	9.61	-23.82
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048793	0	48	0.0	-28.21	371.48	8.87	-19.34
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048794	0	41	0.0	-42.70	361.55	10.37	-32.33
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC2=CC=CN=C12	REAL300018048795	0	44	0.0	-37.12	374.39	11.13	-25.99
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048796	0	48	0.0	-29.01	361.37	11.21	-17.80
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1C	REAL300018048798	0	49	0.0	-32.58	405.73	11.67	-20.91
COC1=C(C)C=NC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1C	REAL300018048799	0	45	0.0	-28.26	376.68	8.76	-19.50
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048800	0	46	0.0	-33.65	386.63	11.54	-22.11
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048801	0	45	0.0	-29.49	345.07	10.79	-18.70
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018048802	0	39	0.0	-41.55	365.28	6.56	-34.99
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048803	0	38	0.0	-30.93	328.77	8.03	-22.90
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048804	0	39	0.0	-33.96	346.37	10.81	-23.15
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048805	0	38	0.0	-32.88	352.24	7.88	-25.00
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048806	0	43	0.0	-30.35	356.42	11.70	-18.65
COC1=NSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048808	0	36	0.0	-35.18	331.43	5.84	-29.34
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=CC(C(F)(F)F)=C1	REAL300018048809	0	41	0.0	-28.16	347.61	10.13	-18.03
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=NN1C	REAL300018048810	0	39	0.0	-32.27	331.49	8.13	-24.14
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300018048811	0	50	0.0	-36.44	413.29	11.07	-25.37
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048812	0	47	0.0	-36.78	390.10	12.37	-24.41
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048813	0	43	0.0	-33.85	329.20	10.03	-23.82
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC(C2=CC=CC=C2)C1	REAL300018048814	0	52	0.0	-29.34	388.73	13.28	-16.06
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048816	0	45	0.0	-33.01	354.99	10.42	-22.59
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC2=CC=CC=C21	REAL300018048818	0	46	0.0	-34.58	387.62	11.54	-23.04
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048819	0	42	0.0	-33.99	359.11	8.31	-25.68
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048820	0	43	0.0	-33.89	372.22	10.25	-23.64
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048821	0	46	0.0	-36.72	378.29	10.48	-26.24
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048822	0	43	0.0	-35.01	366.47	9.59	-25.42
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048823	0	45	0.0	-43.97	343.57	9.32	-34.65
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048823	1	45	0.0	-48.25	351.58	9.65	-38.60
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048824	0	52	0.0	-33.33	380.82	11.77	-21.56
CC([NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C(C)C1=CC=CC=C1	REAL300018048825	0	45	0.0	-33.36	359.17	11.44	-21.92
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048826	0	44	0.0	-36.29	367.39	10.98	-25.31
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C=CC=C12	REAL300018048827	0	46	0.0	-31.95	383.47	11.42	-20.53
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048828	0	43	0.0	-33.58	367.72	9.94	-23.64
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048829	0	44	0.0	-35.15	364.49	10.22	-24.93
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048830	0	45	0.0	-31.78	374.36	11.85	-19.93
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048833	0	47	0.0	-36.83	391.72	12.93	-23.90
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048834	0	50	0.0	-35.08	372.35	9.41	-25.67
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1C	REAL300018048835	0	42	0.0	-33.17	352.62	8.09	-25.08
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC(C(F)(F)F)=C1	REAL300018048837	0	39	0.0	-39.50	353.87	11.13	-28.37
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048839	0	36	0.0	-32.44	345.01	10.24	-22.20
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)NC2=CC=C1	REAL300018048840	0	43	0.0	-33.38	365.66	10.49	-22.89
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048841	0	46	0.0	-30.49	365.14	9.40	-21.09
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048842	0	36	0.0	-33.20	343.42	10.04	-23.16
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C)=C1	REAL300018048843	0	49	0.0	-31.34	397.09	11.45	-19.89
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048845	0	40	0.0	-33.34	325.20	9.87	-23.47
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1OC1CC1	REAL300018048846	0	48	0.0	-36.11	403.91	10.80	-25.31
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048847	0	49	0.0	-33.48	371.16	11.48	-22.00
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048848	0	38	0.0	-35.79	342.55	9.01	-26.78
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048849	0	46	0.0	-32.40	363.81	11.87	-20.53
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048851	0	48	0.0	-32.99	360.31	10.65	-22.34
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048852	0	46	0.0	-37.51	365.53	11.93	-25.58
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C(F)F)=N1	REAL300018048853	0	39	0.0	-37.73	346.25	8.62	-29.11
CC([NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCCCC1	REAL300018048854	0	48	0.0	-30.77	354.41	10.99	-19.78
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048855	0	51	0.0	-32.90	375.02	11.14	-21.76
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048856	0	44	0.0	-31.58	361.25	9.92	-21.66
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048857	0	43	0.0	-37.13	369.73	12.11	-25.02
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048858	0	45	0.0	-31.82	370.90	11.52	-20.30
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048859	0	41	0.0	-43.03	368.32	4.89	-38.14
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048860	0	42	0.0	-32.13	353.33	9.20	-22.93
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)NC2=C1	REAL300018048861	0	43	0.0	-34.15	367.70	10.56	-23.59
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048862	0	40	0.0	-33.81	340.60	8.54	-25.27
O=C([O-])C([NH2+]CC1=NN2CCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048863	1	40	0.0	-36.09	341.00	8.47	-27.62
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048865	0	52	0.0	-35.75	401.60	13.21	-22.54
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C1	REAL300018048866	0	45	0.0	-32.27	354.65	10.62	-21.65
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1N1C=NC=N1	REAL300018048868	0	45	0.0	-40.93	381.73	13.35	-27.58
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048869	0	45	0.0	-33.20	344.02	10.31	-22.89
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048870	0	48	0.0	-33.86	361.94	10.92	-22.94
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048871	0	48	0.0	-33.01	352.78	10.48	-22.53
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018048872	0	54	0.0	-34.48	393.40	11.74	-22.74
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CCN1C	REAL300018048873	0	44	0.0	-30.90	345.70	7.34	-23.56
CC1CC(NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@@H+]1C	REAL300018048873	1	44	0.0	-54.73	342.45	8.32	-46.41
CC1CC(NC(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC[N@H+]1C	REAL300018048873	1	44	0.0	-54.44	347.76	9.22	-45.22
CC([NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C1CCCO1	REAL300018048875	0	40	0.0	-27.88	322.27	7.66	-20.22
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048876	0	43	0.0	-38.95	377.17	10.45	-28.50
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048877	0	43	0.0	-34.14	367.89	9.62	-24.52
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1	REAL300018048879	0	42	0.0	-36.84	357.03	11.39	-25.45
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1OC	REAL300018048880	0	47	0.0	-33.48	384.27	9.64	-23.84
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048881	0	43	0.0	-29.93	351.64	11.76	-18.17
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048882	0	39	0.0	-41.39	345.57	10.75	-30.64
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC(C)=C1	REAL300018048883	0	45	0.0	-36.79	378.45	12.03	-24.76
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048884	0	42	0.0	-34.52	356.86	10.91	-23.61
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048885	0	42	0.0	-35.50	370.32	8.17	-27.33
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048886	0	42	0.0	-35.78	346.94	8.86	-26.92
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CN=C21	REAL300018048887	0	41	0.0	-38.51	358.78	9.09	-29.42
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048888	0	45	0.0	-37.97	378.52	12.08	-25.89
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048889	0	50	0.0	-30.45	385.12	8.99	-21.46
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048890	0	42	0.0	-39.25	358.62	9.24	-30.01
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048893	0	35	0.0	-36.18	314.39	8.09	-28.09
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048894	0	47	0.0	-31.66	359.18	9.45	-22.21
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C2)CO1	REAL300018048895	0	47	0.0	-35.09	373.47	9.29	-25.80
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C2)CO1	REAL300018048896	0	44	0.0	-36.64	356.22	8.74	-27.90
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048897	0	44	0.0	-35.37	358.44	10.19	-25.18
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048898	0	43	0.0	-37.50	356.90	11.09	-26.41
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=C21	REAL300018048899	0	42	0.0	-34.29	351.21	11.16	-23.13
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048900	0	43	0.0	-30.10	355.11	9.74	-20.36
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048903	0	42	0.0	-29.29	343.06	11.09	-18.20
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048904	0	39	0.0	-32.02	340.95	10.66	-21.36
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C)=C1C	REAL300018048905	0	45	0.0	-30.48	363.67	11.65	-18.83
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC(C(F)(F)F)=C1	REAL300018048906	0	46	0.0	-31.60	370.20	10.34	-21.26
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CC2=C1	REAL300018048907	0	43	0.0	-34.72	380.09	10.75	-23.97
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=CC=C21	REAL300018048909	0	48	0.0	-32.65	392.43	10.55	-22.10
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)CC2	REAL300018048910	0	53	0.0	-34.22	401.21	10.21	-24.01
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1Cl	REAL300018048911	0	40	0.0	-33.35	368.02	11.37	-21.98
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1C1CC1	REAL300018048912	0	46	0.0	-31.63	379.82	12.52	-19.11
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1)C2	REAL300018048913	0	50	0.0	-38.81	392.77	11.31	-27.50
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=N1	REAL300018048914	0	42	0.0	-36.70	361.74	7.54	-29.16
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1C1CC1	REAL300018048915	0	46	0.0	-31.97	381.15	12.55	-19.42
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048916	0	43	0.0	-33.26	349.69	10.86	-22.40
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C=C2C1C	REAL300018048919	0	47	0.0	-34.04	386.54	11.03	-23.01
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1OC(F)F	REAL300018048920	0	43	0.0	-36.35	373.45	10.26	-26.09
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048921	0	46	0.0	-32.24	382.03	9.24	-23.00
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)NN=C1C(F)(F)F	REAL300018048922	0	39	0.0	-35.67	349.65	7.82	-27.85
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048923	0	46	0.0	-32.77	354.84	10.88	-21.89
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1O	REAL300018048924	0	40	0.0	-34.17	343.89	7.80	-26.37
O=C([O-])C([NH2+]CC1=CN(CC2CC2)N=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048926	1	42	0.0	-32.48	363.68	8.83	-23.65
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048927	0	41	0.0	-36.05	350.31	9.80	-26.25
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048929	0	44	0.0	-33.68	367.85	10.02	-23.66
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048930	0	44	0.0	-37.22	377.10	9.75	-27.47
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048931	0	50	0.0	-37.37	416.19	11.86	-25.51
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048932	0	40	0.0	-31.52	354.36	10.95	-20.57
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048933	0	43	0.0	-36.72	367.07	11.95	-24.77
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)CC21	REAL300018048934	0	43	0.0	-29.84	337.49	10.38	-19.46
CCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048935	1	39	0.0	-30.65	337.23	8.47	-22.18
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048936	0	43	0.0	-32.44	379.34	12.18	-20.26
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048937	0	44	0.0	-33.37	373.34	10.87	-22.50
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048938	0	50	0.0	-31.86	407.77	13.93	-17.93
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048941	0	42	0.0	-30.43	366.81	11.99	-18.44
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048942	0	46	0.0	-34.56	392.87	11.02	-23.54
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048943	1	42	0.0	-35.52	360.05	9.26	-26.26
CC(C)N1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048944	1	42	0.0	-30.14	357.24	9.03	-21.11
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048945	0	47	0.0	-34.08	384.22	10.40	-23.68
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048946	1	39	0.0	-34.59	356.43	9.00	-25.59
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=N1	REAL300018048948	0	38	0.0	-35.52	331.04	8.75	-26.77
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048949	0	41	0.0	-35.41	355.63	10.39	-25.02
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=CC=C1C	REAL300018048950	0	42	0.0	-36.44	361.78	7.35	-29.09
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048951	0	39	0.0	-32.03	352.71	10.86	-21.17
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC(C(F)(F)F)=C1	REAL300018048952	0	44	0.0	-31.96	361.20	9.96	-22.00
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048953	0	43	0.0	-31.49	379.55	10.70	-20.79
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048955	0	45	0.0	-31.66	374.93	9.70	-21.96
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048956	0	49	0.0	-35.25	397.80	10.98	-24.27
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048957	0	46	0.0	-32.51	358.17	11.16	-21.35
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=CC=C1C(C)(C)C	REAL300018048958	0	52	0.0	-27.50	406.48	11.64	-15.86
CN1C=C(Br)N=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048959	1	36	0.0	-30.22	335.83	8.82	-21.40
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=N1	REAL300018048960	0	42	0.0	-32.74	353.58	7.19	-25.55
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C2)=C1	REAL300018048962	0	47	0.0	-35.46	386.77	11.01	-24.45
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)C2)=N1	REAL300018048963	0	41	0.0	-37.48	353.44	7.40	-30.08
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048964	0	47	0.0	-36.16	374.44	9.61	-26.55
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(C(F)(F)F)=C1	REAL300018048965	0	42	0.0	-30.30	350.47	10.76	-19.54
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048966	0	43	0.0	-40.80	371.23	9.88	-30.92
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048967	0	49	0.0	-31.78	405.23	13.45	-18.33
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C)=C1	REAL300018048968	0	49	0.0	-38.31	393.06	10.92	-27.39
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=NN1CC	REAL300018048969	0	45	0.0	-30.57	372.13	9.84	-20.73
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C(F)(F)F)=CO1	REAL300018048970	0	39	0.0	-27.38	351.52	9.68	-17.70
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048971	0	42	0.0	-34.89	366.03	11.42	-23.47
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048972	0	42	0.0	-34.65	377.05	10.71	-23.94
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C(C)=C1	REAL300018048973	0	52	0.0	-35.73	414.48	11.78	-23.95
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048974	0	49	0.0	-32.25	366.18	11.50	-20.75
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)CC2=CC=CC=C21	REAL300018048975	0	49	0.0	-37.01	381.01	12.35	-24.66
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048976	0	43	0.0	-33.09	377.76	12.30	-20.79
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=CC(C(F)(F)F)=C1	REAL300018048977	0	42	0.0	-33.14	368.37	12.49	-20.65
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048978	0	44	0.0	-33.22	365.90	9.96	-23.26
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)SC2=CC(F)=CC=C12	REAL300018048979	0	42	0.0	-34.53	372.74	12.00	-22.53
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048980	0	42	0.0	-37.83	368.74	8.10	-29.73
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048981	0	39	0.0	-38.21	338.88	9.44	-28.77
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)N=C1	REAL300018048982	0	41	0.0	-28.62	350.72	9.48	-19.14
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1OCCO	REAL300018048983	0	48	0.0	-37.80	404.77	6.94	-30.86
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048984	0	41	0.0	-36.58	355.15	10.41	-26.17
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C(F)(F)F)=C3)=C2O1	REAL300018048985	0	42	0.0	-35.71	363.68	11.11	-24.60
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048986	0	39	0.0	-37.31	357.42	10.96	-26.35
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)C=C1F	REAL300018048987	0	46	0.0	-34.84	389.64	10.86	-23.98
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C(F)(F)F)=C2)=C1	REAL300018048988	0	49	0.0	-31.68	401.77	11.01	-20.67
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC(C(F)(F)F)=C1	REAL300018048989	0	39	0.0	-37.73	349.31	8.64	-29.09
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048991	0	43	0.0	-36.58	379.71	11.24	-25.34
O=C([O-])C([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048992	1	43	0.0	-34.98	362.36	9.61	-25.37
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048993	1	39	0.0	-37.30	351.54	8.79	-28.51
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048994	1	40	0.0	-33.30	360.07	9.37	-23.93
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048996	0	46	0.0	-33.87	347.29	10.71	-23.16
O=C([O-])C([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048997	1	46	0.0	-29.29	378.59	10.26	-19.03
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048998	0	39	0.0	-31.84	348.24	10.35	-21.49
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018048999	0	39	0.0	-33.67	356.88	10.74	-22.93
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC(C(F)(F)F)=C1	REAL300018049000	0	40	0.0	-33.53	343.24	11.17	-22.36
CC1(C)CCCCC1[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049866	1	54	0.0	-59.55	378.32	11.07	-48.48
CC(C)=CCCC(C)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049869	1	54	0.0	-63.06	400.19	11.71	-51.35
CC1(C)CC([NH2+]C2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC(C)(C)C1	REAL300018049870	0	60	0.0	-63.81	422.05	11.94	-51.87
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049871	1	58	0.0	-68.14	441.03	12.84	-55.30
CC1CCC(C)C([NH2+]C2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300018049876	1	54	0.0	-60.92	382.51	11.12	-49.80
CC1CC(C)CC([NH2+]C2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300018049880	1	54	0.0	-64.81	382.57	11.31	-53.50
CC(C)C1CCC([NH2+]C2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300018049889	1	57	0.0	-58.50	396.77	11.83	-46.67
CC1CCCC1[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049895	1	48	0.0	-61.41	352.91	10.05	-51.36
CC(CCOCC1=CC=CC=C1)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049896	1	58	0.0	-64.49	443.14	12.07	-52.42
O=C([O-])C1=CC([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)=CC=C1N1CCCCC1	REAL300018049897	1	52	0.0	-69.33	413.81	13.07	-56.26
O=C([O-])C1=CC([NH2+]C2CCOCC2)=CC=C1N1CCCCC1	REAL300018049898	1	46	0.0	-63.87	342.22	7.65	-56.22
CC(C)CCCC(C)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049899	1	56	0.0	-62.58	409.77	11.84	-50.74
CCCCC(CC)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049900	1	53	0.0	-64.17	375.96	10.78	-53.39
O=C([O-])C1=CC(NCC2=CC=C(N3CCCC3)[NH+]=C2)=CC=C1N1CCCCC1	REAL300018049907	1	56	0.0	-71.83	424.63	10.26	-61.57
CC(CC1=CC=CS1)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049913	1	48	0.0	-56.30	377.27	11.12	-45.18
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049917	1	60	0.0	-61.80	431.47	13.59	-48.21
O=C([O-])C1=CC([NH2+]C2CCN(C3=CN=CC=N3)CC2)=CC=C1N1CCCCC1	REAL300018049922	1	55	0.0	-69.93	412.09	8.48	-61.45
O=C([O-])C1=CC(NC2CC[NH+](CC3=CC=CC=N3)CC2)=CC=C1N1CCCCC1	REAL300018049923	0	59	0.0	-84.03	440.14	11.38	-72.65
C[NH+](C)CCOC1=CC=C(CNC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1	REAL300018049929	0	60	0.0	-80.47	456.44	11.90	-68.57
O=C([O-])C1=CC([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)=CC=C1N1CCCCC1	REAL300018049941	1	52	0.0	-68.80	410.57	12.98	-55.82
O=C([O-])C1=CC([NH2+]C2CC(C3=CC=CC=C3Cl)C2)=CC=C1N1CCCCC1	REAL300018049942	1	52	0.0	-66.51	407.59	12.87	-53.64
CC(CCC1=CC=CC(F)=C1)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049963	1	54	0.0	-68.78	415.53	12.85	-55.93
CC1=CC=CC(CCC(C)[NH2+]C2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)=C1	REAL300018049964	1	57	0.0	-64.88	430.53	13.45	-51.43
CC1=CC=C(CCC(C)[NH2+]C2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C=C1	REAL300018049965	1	57	0.0	-66.37	430.52	13.46	-52.91
O=C([O-])C1=CC([NH2+]C2CCC(F)(F)CC2)=CC=C1N1CCCCC1	REAL300018049966	1	48	0.0	-66.28	362.17	10.16	-56.12
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300018049967	0	60	0.0	-79.58	445.11	13.27	-66.31
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)C1	REAL300018049967	1	60	0.0	-79.94	445.40	13.30	-66.64
O=C([O-])C1=CC(NC2CC[NH+](CC3CC3)CC2)=CC=C1N1CCCCC1	REAL300018049968	0	57	0.0	-81.90	417.10	11.84	-70.06
CC(C)C[NH+]1CCC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300018049975	0	59	0.0	-80.99	424.49	11.73	-69.26
CC([NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1)C1CCCC1	REAL300018049977	1	51	0.0	-63.61	365.93	10.63	-52.98
O=C([O-])C1=CC(NC2CC[NH+](CC3=CC=NC=C3)CC2)=CC=C1N1CCCCC1	REAL300018049979	0	59	0.0	-91.13	439.08	11.39	-79.74
CC(C)(C)[NH+]1CCC(NC2=CC=C(N3CCCCC3)C(C(=O)[O-])=C2)CC1	REAL300018049980	0	59	0.0	-77.42	414.73	11.04	-66.38
C=CCCC(CC)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049986	1	51	0.0	-64.72	367.29	10.56	-54.16
CCCC(CC1=CC=CC=C1)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049989	1	57	0.0	-60.66	421.91	13.09	-47.57
C=CCC(C)C(C)[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049994	1	51	0.0	-62.84	373.06	10.61	-52.23
CC(C)CCC1CCCC1[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049995	1	60	0.0	-62.08	433.54	12.82	-49.26
CCCCC1CCCC1[NH2+]C1=CC=C(N2CCCCC2)C(C(=O)[O-])=C1	REAL300018049996	1	57	0.0	-62.01	415.97	12.31	-49.70
O=C([O-])C1=CC(I)=CC(NC2CC[N@@H+]3CCCC3C2)=C1	REAL300018050876	0	39	0.0	-71.03	323.86	9.23	-61.80
O=C([O-])C1=CC(I)=CC(NC2CC[N@H+]3CCCC3C2)=C1	REAL300018050876	1	39	0.0	-68.22	320.70	9.44	-58.78
CC1CC(NC2=CC(I)=CC(C(=O)[O-])=C2)CC[N@@H+]1C	REAL300018050900	0	38	0.0	-72.56	317.70	8.67	-63.89
CC1CC(NC2=CC(I)=CC(C(=O)[O-])=C2)CC[N@H+]1C	REAL300018050900	1	38	0.0	-72.53	317.84	8.66	-63.87
O=C([O-])C1=CC(I)=CC(NCC2=CC3=C[NH+]=CC=C3N2)=C1	REAL300018050953	0	33	0.0	-69.34	311.34	7.37	-61.97
CSC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C)C=C1	REAL300018050966	0	46	0.0	-33.64	367.44	11.76	-21.88
CC1=CC=C(C([NH2+]CC2=CC(Cl)=CC3=C2OCC3)C(=O)[O-])C=C1	REAL300018050967	0	41	0.0	-27.71	347.36	9.90	-17.81
COC1=CC=C(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C)C=C3)C=C2)C=C1	REAL300018050968	0	51	0.0	-34.32	414.98	11.76	-22.56
CC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)C(=O)[O-])C=C1	REAL300018050972	0	43	0.0	-40.41	372.64	10.35	-30.06
CC1=CC=C(C([NH2+]CC=CC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300018050973	0	40	0.0	-38.17	339.78	11.01	-27.16
CCCCCC(CCCCC)[NH2+]C(C(=O)[O-])C1=CC=C(C)C=C1	REAL300018050974	0	56	0.0	-30.29	405.13	12.89	-17.40
COC1=CC=C2CCC([NH2+]C(C(=O)[O-])C3=CC=C(C)C=C3)CC2=C1	REAL300018050975	0	47	0.0	-33.31	363.41	10.41	-22.90
CCC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(C)C=C1	REAL300018050976	0	42	0.0	-28.26	323.01	10.18	-18.08
CCC(CC1=CC=C(C)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C)C=C1	REAL300018050977	0	48	0.0	-33.86	366.70	12.00	-21.86
CCCC(CCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C)C=C1	REAL300018050978	0	51	0.0	-32.24	376.42	12.67	-19.57
CC1=CC=C(C([NH2+]CC2=CC(Br)=CC3=C2OCC3)C(=O)[O-])C=C1	REAL300018050980	0	41	0.0	-27.69	351.92	10.01	-17.68
CC1=CC=C(C([NH2+]C(C)CCC2=CC=C3OCOC3=C2)C(=O)[O-])C=C1	REAL300018050981	0	48	0.0	-36.18	379.75	10.38	-25.80
CC1=CC=C(C([NH2+]C(C)CCC2=CC=C(O)C=C2)C(=O)[O-])C=C1	REAL300018050982	0	46	0.0	-35.15	360.36	8.80	-26.35
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C)C=C2)C=C1OC	REAL300018050983	0	50	0.0	-34.66	390.23	10.12	-24.54
CC1=CC=C(C([NH2+]C(C)CCC2=CC=C(OC(F)F)C=C2)C(=O)[O-])C=C1	REAL300018050984	0	49	0.0	-36.27	388.60	11.23	-25.04
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300018050985	0	49	0.0	-34.56	378.85	10.95	-23.61
CC1=CC=C(C([NH2+]C(C)CC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300018050986	0	42	0.0	-36.77	337.93	10.99	-25.78
CC1=CC=C(C([NH2+]C(C)CC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300018050987	0	42	0.0	-35.69	348.25	11.44	-24.25
CC1=CC=C(C([NH2+]C(C)CCC2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300018050988	0	45	0.0	-35.33	355.75	11.72	-23.61
CC=CCOC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C)C=C2)C=C1	REAL300018050989	0	56	0.0	-34.66	435.31	13.32	-21.34
CC1=CC=C(C([NH2+]C(C)CCC2CCCCC2)C(=O)[O-])C=C1	REAL300018050990	0	51	0.0	-29.93	370.18	11.82	-18.11
CC1=CC=C(C([NH2+]C(C)CCC2=CC=CC=C2F)C(=O)[O-])C=C1	REAL300018050991	0	45	0.0	-30.54	359.17	11.74	-18.80
CC1=CC=C(C([NH2+]C(C)CC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018050992	0	45	0.0	-37.13	370.26	11.94	-25.19
CC1=CC=C(C([NH2+]CCC2=CC=C(C(C)C)C=C2)C(=O)[O-])C=C1	REAL300018050993	0	48	0.0	-34.25	378.54	12.33	-21.92
CC1=CC=C(C([NH2+]C2CCC(C(F)(F)F)CC2)C(=O)[O-])C=C1	REAL300018050994	0	42	0.0	-29.49	325.23	10.08	-19.41
CC1=CC=C(C([NH2+]C2CC(C)CN(CC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018050995	0	54	0.0	-30.39	405.35	10.36	-20.03
CC1=CC=C(C([NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C(=O)[O-])C=C1	REAL300018050997	1	42	0.0	-32.41	378.54	11.16	-21.25
CC1=CC=C(C([NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018050998	0	55	0.0	-32.12	432.63	12.97	-19.15
CC1=CC=C(C(NCC2=NC=C(C[NH+](C)C)S2)C(=O)[O-])C=C1	REAL300018050999	1	43	0.0	-75.99	361.59	7.87	-68.12
CC1=CC=C(C([NH2+]CCC2=CC=C(Cl)C=C2)C(=O)[O-])C=C1	REAL300018051000	0	39	0.0	-36.33	335.04	10.92	-25.41
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1	REAL300018053923	0	40	0.0	-35.00	329.67	8.89	-26.11
COC1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1	REAL300018053925	0	52	0.0	-32.58	373.85	9.51	-23.07
COC1=CC=C(C([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])C=C1	REAL300018053926	0	44	0.0	-36.27	363.02	10.37	-25.90
COC1=CC=C(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018053927	0	50	0.0	-35.63	389.31	10.33	-25.30
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])C=C1	REAL300018053928	0	45	0.0	-36.75	375.98	7.92	-28.83
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018053929	1	44	0.0	-33.87	370.95	10.83	-23.04
COC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018053930	1	40	0.0	-30.58	342.29	9.77	-20.81
COC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])C=C1	REAL300018053931	0	47	0.0	-32.47	372.87	9.06	-23.41
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C=C2)C=C1	REAL300018053932	0	59	0.0	-33.06	462.43	12.36	-20.70
COC1=CC=C(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300018053933	0	58	0.0	-33.48	437.85	12.60	-20.88
COC1=CC=C(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1	REAL300018053934	0	40	0.0	-33.41	329.68	8.88	-24.53
COC1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018053935	0	41	0.0	-32.22	336.24	8.24	-23.98
COC1=CC=C(C([NH2+]CC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018053936	0	36	0.0	-43.38	324.94	8.04	-35.34
COC1=CC=C(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])C=C1	REAL300018053937	0	49	0.0	-31.41	386.05	10.93	-20.48
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C(=O)[O-])C=C1	REAL300018053938	0	50	0.0	-34.07	400.49	12.32	-21.75
COC1=CC=C(C([NH2+]CC2=CC(OC)=CC=C2Br)C(=O)[O-])C=C1	REAL300018053939	0	41	0.0	-30.11	346.80	8.05	-22.06
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018053940	0	43	0.0	-46.89	358.48	8.92	-37.97
COC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018053941	0	37	0.0	-32.71	336.42	9.18	-23.53
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])C=C1	REAL300018053942	0	50	0.0	-31.66	399.01	12.25	-19.41
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300018053943	0	41	0.0	-33.80	342.21	7.76	-26.04
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C=C2)C=C1OCC	REAL300018053944	0	51	0.0	-36.10	407.33	9.27	-26.83
COC1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1	REAL300018053945	0	49	0.0	-29.04	352.48	9.52	-19.52
COC1=CC=C(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018053946	0	40	0.0	-33.99	354.85	9.59	-24.40
COC1=CC=C(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018053947	0	37	0.0	-26.88	325.64	8.79	-18.09
COC1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1	REAL300018053948	0	40	0.0	-39.80	344.48	7.33	-32.47
COC1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018053949	0	42	0.0	-34.60	338.23	8.41	-26.19
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018053950	0	41	0.0	-32.53	350.88	8.03	-24.50
COC1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018053951	0	43	0.0	-40.94	365.60	5.76	-35.18
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C(=O)[O-])C=C1	REAL300018053952	0	51	0.0	-34.47	413.12	11.31	-23.16
COC1=CC=C(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018053953	0	50	0.0	-33.93	390.95	9.53	-24.40
COC1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018053954	0	44	0.0	-35.43	363.46	10.50	-24.93
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])C=C1	REAL300018053955	0	47	0.0	-33.98	394.52	12.15	-21.83
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])C=C1	REAL300018053956	0	47	0.0	-33.95	395.82	12.17	-21.78
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C=C2)S1	REAL300018053957	1	40	0.0	-31.67	336.55	8.87	-22.80
COC1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1	REAL300018053959	0	42	0.0	-33.50	338.84	8.01	-25.49
COC1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1	REAL300018053960	0	34	0.0	-31.55	316.53	7.92	-23.63
COC1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018053961	0	48	0.0	-34.75	376.88	8.09	-26.66
COC1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018053962	0	45	0.0	-41.13	378.46	4.95	-36.18
COC1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1	REAL300018053963	0	41	0.0	-31.25	336.05	8.26	-22.99
COC1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1	REAL300018053964	0	41	0.0	-33.61	336.24	8.26	-25.35
COC1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018053965	0	40	0.0	-28.02	325.02	8.60	-19.42
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018053966	0	40	0.0	-29.45	342.53	7.27	-22.18
COC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1	REAL300018053967	0	51	0.0	-32.86	395.51	10.06	-22.80
COC1=CC=C(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018053968	0	52	0.0	-30.42	379.81	11.07	-19.35
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300018053969	0	46	0.0	-34.48	374.10	9.88	-24.60
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1	REAL300018053970	0	46	0.0	-35.71	372.37	9.84	-25.87
COC1=CC=C(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])C=C1	REAL300018053971	1	54	0.0	-32.97	414.09	6.95	-26.02
COC1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1	REAL300018053972	0	46	0.0	-37.05	386.31	6.74	-30.31
COC1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018053973	0	47	0.0	-37.31	364.66	6.06	-31.25
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])C=C1	REAL300018053974	0	52	0.0	-32.66	412.88	9.29	-23.37
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C(=O)[O-])C=C1	REAL300018053975	0	52	0.0	-31.47	411.27	9.33	-22.14
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018053976	0	51	0.0	-33.54	392.34	6.95	-26.59
COC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018053977	0	44	0.0	-34.82	368.20	9.46	-25.36
COC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018053978	0	44	0.0	-34.42	378.51	9.90	-24.52
COC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018053979	0	46	0.0	-35.35	366.33	8.03	-27.32
COC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018053980	0	44	0.0	-36.90	375.83	8.93	-27.97
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])C=C1	REAL300018053982	1	44	0.0	-30.97	388.16	11.50	-19.47
COC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C(OC)=C2)C(=O)[O-])C=C1	REAL300018053983	0	48	0.0	-36.96	403.13	8.76	-28.20
COC1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018053984	0	47	0.0	-36.45	373.91	8.12	-28.33
COC1=CC=C(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])C=C1	REAL300018053985	0	50	0.0	-37.40	411.05	9.76	-27.64
COC1=CC=C(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018053986	0	50	0.0	-33.77	406.99	9.77	-24.00
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C=C2)=C1	REAL300018053988	0	48	0.0	-33.13	389.86	7.74	-25.39
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(Cl)=C2)C(=O)[O-])C=C1	REAL300018053989	0	41	0.0	-33.46	350.41	8.09	-25.37
COC1=CC=C(C([NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C(=O)[O-])C=C1	REAL300018053990	0	43	0.0	-34.48	383.80	9.80	-24.68
COC1=CC=C(C([NH2+]CC2=CC(Br)=CN=C2OC)C(=O)[O-])C=C1	REAL300018053992	0	40	0.0	-32.77	350.64	5.57	-27.20
COC1=CC=C(C([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])C=C1	REAL300018053993	0	40	0.0	-29.18	330.61	5.01	-24.17
COC1=CC=C(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300018053994	0	36	0.0	-29.00	321.20	7.00	-22.00
COC1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1	REAL300018053996	0	42	0.0	-34.03	340.97	8.49	-25.54
COC1=CC=C(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018053997	0	44	0.0	-33.74	375.81	8.93	-24.81
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018053998	0	43	0.0	-33.78	346.51	7.41	-26.37
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018053999	0	46	0.0	-37.02	364.72	8.26	-28.76
COC1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1	REAL300018054000	0	44	0.0	-33.57	365.62	10.52	-23.05
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2Br)C=C1F	REAL300018054991	0	36	0.0	-77.45	324.19	10.06	-67.39
CC1(C)CCCCC1[NH2+]CC1=CC=C(C(=O)[O-])C=C1Br	REAL300018054992	0	42	0.0	-64.30	323.64	9.79	-54.51
CC(C)=CCCC(C)[NH2+]CC1=CC=C(C(=O)[O-])C=C1Br	REAL300018054995	0	42	0.0	-66.56	345.80	10.50	-56.06
CC(C)(C)C[NH2+]CC1=CC=C(C(=O)[O-])C=C1Br	REAL300018054996	0	35	0.0	-67.06	292.43	8.48	-58.58
CC1(C)CC([NH2+]CC2=CC=C(C(=O)[O-])C=C2Br)CC(C)(C)C1	REAL300018054997	0	48	0.0	-67.81	366.27	10.68	-57.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC3=CC=CC=C3S2)C(Br)=C1	REAL300018054998	0	36	0.0	-75.30	334.86	10.89	-64.41
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2Br)C=C1	REAL300018054999	0	43	0.0	-75.22	366.75	10.20	-65.02
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2Br)=CC=C1F	REAL300018055000	0	36	0.0	-78.54	324.19	10.05	-68.49
COC1=CC(C[NH2+]CC2=CC=C(C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300018065549	0	40	0.0	-93.01	335.30	9.58	-83.43
COC1=CC(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065551	1	39	0.0	-90.28	345.16	9.95	-80.33
COC1=CC(C[NH2+]C2CC(C)(C)CC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300018065552	0	52	0.0	-83.96	378.51	10.18	-73.78
COC1=CC(C[NH2+]C2CCC3=CC(Br)=CC=C3C2)=CC=C1C(=O)[O-]	REAL300018065553	0	44	0.0	-91.82	367.19	11.04	-80.78
COC1=CC(C[NH2+]C(C)CCC2=CNC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300018065554	0	50	0.0	-88.07	397.45	11.06	-77.01
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(Cl)=C1OC	REAL300018065555	0	45	0.0	-91.18	383.17	8.66	-82.52
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)=CC=C1C(=O)[O-]	REAL300018065556	0	44	0.0	-92.65	375.94	11.49	-81.16
COC1=CC(C[NH2+]CC2=CC3=CC=CC=C3S2)=CC=C1C(=O)[O-]	REAL300018065557	0	40	0.0	-90.38	345.96	10.41	-79.97
COC1=CC(C[NH2+]CC2=CC=C(OC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300018065558	0	47	0.0	-91.45	377.86	9.72	-81.73
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065559	0	59	0.0	-91.22	467.43	13.02	-78.20
COC1=CC(C[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300018065560	0	58	0.0	-88.32	441.50	13.25	-75.07
COC1=CC(C[NH2+]CC2=CC=C(F)C(C)=C2)=CC=C1C(=O)[O-]	REAL300018065561	0	40	0.0	-95.05	335.30	9.57	-85.48
COC1=CC(C[NH2+]CC2=C3NC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300018065562	0	41	0.0	-91.80	339.93	8.87	-82.93
COC1=CC(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)=CC=C1C(=O)[O-]	REAL300018065563	1	36	0.0	-105.66	328.63	8.67	-96.99
COC1=CC(C[NH2+]CC2=CC=CC=C2N2CCOCC2)=CC=C1C(=O)[O-]	REAL300018065564	0	50	0.0	-86.66	393.15	8.44	-78.22
COC1=CC(C[NH2+]CC2=CC=C(CC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300018065565	0	49	0.0	-88.04	389.72	11.55	-76.49
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)=CC=C1C(=O)[O-]	REAL300018065566	0	50	0.0	-92.34	404.19	12.95	-79.39
COC1=CC=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065567	1	41	0.0	-83.81	353.47	8.75	-75.06
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1[N+](=O)[O-]	REAL300018065568	0	43	0.0	-108.17	364.10	9.61	-98.56
COC1=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065569	0	37	0.0	-95.13	342.04	9.88	-85.25
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)=CC=C1C(=O)[O-]	REAL300018065570	0	50	0.0	-90.87	404.65	12.95	-77.92
COC1=CC(C[NH2+]CC2=CC=CC(OC(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065571	0	41	0.0	-94.48	347.84	8.45	-86.03
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OCC	REAL300018065572	0	51	0.0	-95.86	411.03	9.91	-85.95
COC1=CC(C[NH2+]C2CCC(C(C)C)CC2)=CC=C1C(=O)[O-]	REAL300018065573	0	49	0.0	-83.49	363.36	10.00	-73.49
COC1=CC(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065574	0	40	0.0	-100.77	360.47	10.28	-90.49
COC1=CC(C[NH2+]CC2=CC=C(F)C=C2Br)=CC=C1C(=O)[O-]	REAL300018065575	1	37	0.0	-89.41	331.27	9.49	-79.92
COC1=CC(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)=CC=C1C(=O)[O-]	REAL300018065576	0	40	0.0	-102.34	348.18	7.97	-94.37
COC1=CC(C[NH2+]CC2=CC=NC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300018065577	0	42	0.0	-99.04	345.00	9.13	-89.91
COC1=CC(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065578	0	41	0.0	-94.60	354.58	8.66	-85.94
COC1=CC(C[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300018065579	0	43	0.0	-102.78	369.26	6.39	-96.39
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065580	0	51	0.0	-91.86	416.79	11.93	-79.93
COC1=CC(C[NH2+]C(C)CCOCC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065581	0	50	0.0	-86.29	399.56	10.29	-76.00
COC1=CC(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)=CC=C1C(=O)[O-]	REAL300018065582	0	44	0.0	-90.68	368.13	11.19	-79.49
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065583	0	47	0.0	-93.09	399.52	12.81	-80.28
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=CC=C1C(=O)[O-]	REAL300018065584	0	47	0.0	-94.10	399.52	12.80	-81.30
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C2=CC=CC=C12	REAL300018065585	0	47	0.0	-94.08	377.90	10.36	-83.72
CCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065586	0	40	0.0	-86.57	342.17	9.55	-77.02
COC1=CC(C[NH2+]CC2=NC3=CC=CC=C3N2C)=CC=C1C(=O)[O-]	REAL300018065587	1	43	0.0	-96.30	354.99	9.21	-87.09
COC1=CC(C[NH2+]CC2=CC=C3OCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065588	0	42	0.0	-93.83	344.47	8.70	-85.13
COC1=CC(C[NH2+]CC2=CSC(Br)=C2)=CC=C1C(=O)[O-]	REAL300018065589	0	34	0.0	-92.48	320.24	8.54	-83.94
COC1=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300018065590	0	50	0.0	-85.20	413.31	10.45	-74.75
COC1=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300018065591	0	50	0.0	-84.70	413.32	10.44	-74.26
COC1=CC(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300018065592	0	48	0.0	-94.24	382.50	8.78	-85.46
COC1=CC(C[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300018065593	0	45	0.0	-103.35	382.16	5.58	-97.77
COC1=CC(C[NH2+]CC2=C3C=CNC3=CC=C2)=CC=C1C(=O)[O-]	REAL300018065594	0	41	0.0	-87.70	339.76	8.89	-78.81
COC1=CC(C[NH2+]CC2=CC=C3C=CNC3=C2)=CC=C1C(=O)[O-]	REAL300018065595	0	41	0.0	-92.08	339.94	8.90	-83.18
COC1=CC(C[NH2+]C(C)CC2=CC=CS2)=CC=C1C(=O)[O-]	REAL300018065596	0	40	0.0	-81.16	334.00	9.31	-71.85
COC1=CC(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)=CC=C1C(=O)[O-]	REAL300018065597	0	40	0.0	-92.97	348.14	7.96	-85.01
COC1=CC(C[NH2+]CC2=CC=C(F)C=C2C)=CC=C1C(=O)[O-]	REAL300018065598	0	40	0.0	-93.70	329.81	9.57	-84.13
COC1=CC(C[NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)=CC=C1C(=O)[O-]	REAL300018065599	0	51	0.0	-91.84	399.18	10.69	-81.15
COC1=CC(C[NH2+]C(C)CC(C)(C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065600	0	52	0.0	-83.97	387.70	11.83	-72.14
COC1=CC(C[NH2+]CC2=CC=CC=C2N(C)C)=CC=C1C(=O)[O-]	REAL300018065601	0	45	0.0	-82.82	359.66	8.91	-73.91
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)=CC=C1C(=O)[O-]	REAL300018065602	0	46	0.0	-93.90	377.80	10.51	-83.39
COC1=CC(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)=CC=C1C(=O)[O-]	REAL300018065603	0	46	0.0	-96.12	378.00	10.52	-85.60
COC1=CC(C[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)=CC=C1C(=O)[O-]	REAL300018065604	1	54	0.0	-90.20	417.80	7.58	-82.62
COC1=CC(C[NH2+]CC2=C(N3CCOCC3)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300018065605	0	53	0.0	-89.34	412.78	6.41	-82.93
COC1=CC(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)=CC=C1C(=O)[O-]	REAL300018065606	0	46	0.0	-97.37	389.91	7.36	-90.01
COC1=CC(C[NH2+]C2CCN(C3=CN=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300018065607	0	47	0.0	-91.59	368.48	6.72	-84.87
COC1=CC(C[NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)=CC=C1C(=O)[O-]	REAL300018065608	0	52	0.0	-86.90	417.36	9.96	-76.94
COC1=CC(C[NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)=CC=C1C(=O)[O-]	REAL300018065609	0	52	0.0	-85.72	417.01	10.04	-75.68
COC1=CC(C[NH2+]C2CCN(CC3=CC=CC=N3)CC2)=CC=C1C(=O)[O-]	REAL300018065610	0	51	0.0	-87.96	396.20	7.62	-80.34
COC1=CC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300018065611	0	44	0.0	-97.89	373.82	10.15	-87.74
COC1=CC(C[NH2+]CC2=C(C)N(C3=CC=C(Cl)C=C3)N=C2C)=CC=C1C(=O)[O-]	REAL300018065612	0	50	0.0	-95.98	422.70	11.50	-84.48
COC1=CC(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)=CC=C1C(=O)[O-]	REAL300018065613	0	44	0.0	-97.24	384.14	10.60	-86.64
COC1=CC(C[NH2+]CC2=CN(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300018065614	0	46	0.0	-91.00	371.34	8.69	-82.31
COC1=CC(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300018065616	0	44	0.0	-95.35	379.51	9.56	-85.79
COC1=CC(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065618	0	41	0.0	-91.67	363.20	9.03	-82.64
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)=CC=C1C(=O)[O-]	REAL300018065619	0	44	0.0	-91.03	393.15	12.16	-78.87
COC1=CC(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)=CC=C1C(=O)[O-]	REAL300018065620	0	47	0.0	-99.39	391.07	7.39	-92.00
COC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065621	0	48	0.0	-96.33	394.02	8.03	-88.30
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1OCC(F)(F)F	REAL300018065622	0	48	0.0	-99.62	408.75	9.45	-90.17
COC1=CC(C[NH2+]CC2=CN=C(N3CCCC3)N=C2)=CC=C1C(=O)[O-]	REAL300018065623	0	47	0.0	-98.78	377.60	8.75	-90.03
COC1=CC(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065624	0	50	0.0	-95.36	414.72	10.38	-84.98
COC1=CC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)=CC=C1C(=O)[O-]	REAL300018065625	0	50	0.0	-93.43	412.61	10.46	-82.97
COC1=CC(C[NH2+]CC2=CN(C)N=C2C(C)C)=CC=C1C(=O)[O-]	REAL300018065627	0	46	0.0	-92.89	373.79	8.51	-84.38
COCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065628	0	48	0.0	-91.37	393.56	8.37	-83.00
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1Cl	REAL300018065629	0	41	0.0	-95.45	354.11	8.72	-86.73
COC1=CC(C[NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)=CC=C1C(=O)[O-]	REAL300018065630	0	43	0.0	-97.74	387.47	10.42	-87.32
COC1=CC(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)=CC=C1C(=O)[O-]	REAL300018065631	1	42	0.0	-90.15	368.84	7.79	-82.36
COC1=CC(C[NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)=CC=C1C(=O)[O-]	REAL300018065632	1	45	0.0	-92.93	372.84	8.60	-84.33
COC1=CC(C[NH2+]CC2=NC3=CC=CC=C3N2C(C)C)=CC=C1C(=O)[O-]	REAL300018065633	1	49	0.0	-94.72	389.97	10.44	-84.28
COC1=CC(C[NH2+]CC2=CC(Br)=CN=C2OC)=CC=C1C(=O)[O-]	REAL300018065634	1	40	0.0	-88.93	355.64	6.25	-82.68
COC1=CC(C[NH2+]CC2=CC=CN=C2OC)=CC=C1C(=O)[O-]	REAL300018065635	0	40	0.0	-87.50	334.32	5.65	-81.85
COC1=CC(C[NH2+]CC2=CC=C(Br)C=N2)=CC=C1C(=O)[O-]	REAL300018065636	0	36	0.0	-91.43	324.87	7.65	-83.78
COC1=CC(C[NH2+]CC2=CN=C(N3CCOCC3)S2)=CC=C1C(=O)[O-]	REAL300018065637	0	46	0.0	-93.10	382.27	6.18	-86.92
COC1=CC(C[NH2+]CC2=CC=CC3=NC=CC=C23)=CC=C1C(=O)[O-]	REAL300018065638	0	42	0.0	-98.61	344.67	9.12	-89.49
COC1=CC(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065639	0	44	0.0	-92.48	379.51	9.56	-82.92
COC1=CC(C[NH2+]CC2=CC=CC3=C2OCCO3)=CC=C1C(=O)[O-]	REAL300018065640	0	43	0.0	-87.61	351.45	8.09	-79.52
COC1=CC(C[NH2+]CC2=CC=CC3=C2OCCCO3)=CC=C1C(=O)[O-]	REAL300018065641	0	46	0.0	-89.87	370.21	8.85	-81.02
COC1=CC(C[NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)=CC=C1C(=O)[O-]	REAL300018065642	0	44	0.0	-89.10	369.10	11.18	-77.92
COC1=CC(C[NH2+]C2CC(C3=CC=CC(Br)=C3)C2)=CC=C1C(=O)[O-]	REAL300018065643	0	44	0.0	-88.96	373.67	11.28	-77.68
COC1=CC(C[NH2+]C2CC(C3=CC=CC=C3Cl)C2)=CC=C1C(=O)[O-]	REAL300018065644	0	44	0.0	-88.51	365.06	11.07	-77.44
COC1=CC(C[NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(=O)[O-]	REAL300018065645	0	45	0.0	-99.83	377.74	10.15	-89.68
COC1=CC(C[NH2+]CC2=CN=C(N3CCOCC3)N=C2)=CC=C1C(=O)[O-]	REAL300018065646	0	48	0.0	-99.71	386.73	7.25	-92.46
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065647	1	49	0.0	-93.68	394.35	10.94	-82.74
CCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065648	0	47	0.0	-89.63	381.43	9.90	-79.73
C#CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065649	0	46	0.0	-92.50	387.21	10.42	-82.08
COC1=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)=CC=C1C(=O)[O-]	REAL300018065650	0	44	0.0	-90.76	374.63	11.45	-79.31
COC1=CC(C[NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)=CC=C1C(=O)[O-]	REAL300018065651	0	44	0.0	-96.82	385.29	11.64	-85.18
COC1=CC(C[NH2+]CC2=CC3=C(C)NN=C3N=C2)=CC=C1C(=O)[O-]	REAL300018065652	0	42	0.0	-106.56	351.64	7.39	-99.17
COC1=CC(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)=CC=C1C(=O)[O-]	REAL300018065653	0	51	0.0	-89.27	402.67	11.07	-78.20
CCC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065654	0	39	0.0	-90.60	336.76	7.59	-83.01
COC1=CC(C[NH2+]CC2=CC=CC=C2N2C=NC=N2)=CC=C1C(=O)[O-]	REAL300018065655	0	43	0.0	-80.87	352.90	11.97	-68.90
COC1=CC(C[NH2+]CC2=CN(C)N=C2C2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300018065656	0	46	0.0	-97.69	382.46	8.29	-89.40
COC1=CC(C[NH2+]CC2=CN(C)N=C2C2=CC=NC=C2)=CC=C1C(=O)[O-]	REAL300018065657	0	46	0.0	-96.04	382.59	8.29	-87.75
COC1=CC(C[NH2+]CC2=CN=C3C=CC=CN23)=CC=C1C(=O)[O-]	REAL300018065658	0	40	0.0	-97.58	335.42	9.31	-88.27
COC1=CC(C[NH2+]CC2=CN=C(N(C)C)S2)=CC=C1C(=O)[O-]	REAL300018065659	0	41	0.0	-89.68	350.80	7.88	-81.80
COC1=CC(C[NH2+]CC2=CC=CC(OC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300018065660	0	47	0.0	-89.47	377.86	9.72	-79.75
COC1=CC(C[NH2+]CC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065661	0	50	0.0	-89.30	417.45	10.89	-78.41
COC1=CC(C[NH2+]CC2=CSC(C3=CC=C(C)C=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065662	1	46	0.0	-88.21	394.83	10.33	-77.88
COC1=CC(C[NH2+]CC2=CSC(C(C)C)=N2)=CC=C1C(=O)[O-]	REAL300018065663	1	42	0.0	-85.72	356.34	7.91	-77.81
COC1=CC(C[NH2+]CC2=CSC(C3CC3)=N2)=CC=C1C(=O)[O-]	REAL300018065664	1	40	0.0	-86.57	345.03	8.10	-78.47
COC1=CC(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)=CC=C1C(=O)[O-]	REAL300018065665	0	51	0.0	-92.58	423.56	12.32	-80.26
CCC1=NC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CS1	REAL300018065667	1	39	0.0	-85.76	336.63	7.34	-78.42
COC1=CC(C[NH2+]C(C)CCC2=CC=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300018065668	0	46	0.0	-89.25	371.95	11.07	-78.18
COC1=CC(C[NH2+]C(C)CCC2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300018065669	0	49	0.0	-86.32	386.95	11.67	-74.65
COC1=CC(C[NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065670	0	49	0.0	-89.82	404.28	12.00	-77.82
COC1=CC(C[NH2+]C(C)CCC2=CC=C(C)C=C2)=CC=C1C(=O)[O-]	REAL300018065671	0	49	0.0	-86.13	386.94	11.68	-74.45
COC1=CC(C[NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300018065672	0	52	0.0	-85.51	404.71	9.60	-75.91
COC1=CC(C[NH2+]CC2=CN(C)N=C2C2=CC=C([N+](=O)[O-])C=C2)=CC=C1C(=O)[O-]	REAL300018065673	0	49	0.0	-102.57	416.20	10.70	-91.87
COC1=CC(CNC2CC[NH+](CC3CC3)CC2)=CC=C1C(=O)[O-]	REAL300018065674	0	49	0.0	-81.38	374.27	9.12	-72.26
COC1=CC(C[NH2+]C(C)CCC2=CC=C(OCC=C(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300018065676	0	60	0.0	-88.85	469.23	13.26	-75.59
COC1=CC(C[NH2+]CC2=CSC(C(C)(C)C)=N2)=CC=C1C(=O)[O-]	REAL300018065677	1	45	0.0	-85.43	375.28	8.42	-77.01
COC1=CC(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065678	1	40	0.0	-88.06	364.46	8.60	-79.46
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)=CC=C1C(=O)[O-]	REAL300018065679	0	44	0.0	-91.96	382.83	11.72	-80.24
COC1=CC(C[NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)=CC=C1C(=O)[O-]	REAL300018065680	0	49	0.0	-88.40	385.65	9.25	-79.15
COC1=CC(C[NH2+]CC2=CC3=NC=CN=C3C=C2)=CC=C1C(=O)[O-]	REAL300018065681	0	41	0.0	-99.06	344.62	7.29	-91.77
COC1=CC(C[NH2+]CC2=CC=CC=C2OC2CCCC2)=CC=C1C(=O)[O-]	REAL300018065682	0	51	0.0	-83.05	401.24	11.14	-71.91
COC1=CC(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)=CC=C1C(=O)[O-]	REAL300018065683	1	40	0.0	-90.67	352.28	9.89	-80.78
COC1=CC(C[NH2+]CC2=CN=C(C(C)(C)C)S2)=CC=C1C(=O)[O-]	REAL300018065684	0	45	0.0	-90.04	375.42	8.66	-81.38
COC1=CC(CNC2CC[NH+](CC(C)C)CC2)=CC=C1C(=O)[O-]	REAL300018065685	0	51	0.0	-80.92	381.93	9.02	-71.90
COC1=CC(C[NH2+]CC2=C(C)SC(C)=C2)=CC=C1C(=O)[O-]	REAL300018065686	0	40	0.0	-88.16	337.68	9.40	-78.76
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)=CC=C1C(=O)[O-]	REAL300018065687	0	47	0.0	-90.01	397.82	12.33	-77.68
COC1=CC(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065688	1	43	0.0	-100.58	374.68	9.18	-91.40
COC1=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2OC)=CC=C1C(=O)[O-]	REAL300018065689	0	41	0.0	-91.83	370.89	9.31	-82.52
C#CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065690	0	43	0.0	-94.32	365.72	9.65	-84.67
COC1=CC(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065691	0	48	0.0	-93.29	411.82	11.93	-81.36
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300018065692	0	52	0.0	-100.62	422.34	8.93	-91.69
COC1=CC(C[NH2+]C2CCN(CC3=CC=NC=C3)CC2)=CC=C1C(=O)[O-]	REAL300018065693	0	51	0.0	-88.60	395.62	7.68	-80.92
COC1=CC(CNC2CC[NH+](C(C)(C)C)CC2)=CC=C1C(=O)[O-]	REAL300018065694	0	51	0.0	-78.38	371.95	8.32	-70.06
COCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065695	0	51	0.0	-91.51	415.10	8.97	-82.54
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1SC	REAL300018065696	0	45	0.0	-96.06	377.49	9.22	-86.84
CCC(C)OC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1OC	REAL300018065697	0	54	0.0	-95.74	427.86	10.40	-85.34
C=C(C)COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1OC	REAL300018065698	0	52	0.0	-96.80	421.50	10.34	-86.46
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OCCC(C)C	REAL300018065699	0	57	0.0	-95.88	449.75	11.09	-84.79
COC1=CC(C[NH2+]C2CCN(CCN3CCOCC3)CC2)=CC=C1C(=O)[O-]	REAL300018065700	0	58	0.0	-86.34	428.93	4.82	-81.52
CCOCC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1OC	REAL300018065701	0	51	0.0	-89.90	412.17	9.08	-80.82
COC1=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)=CC=C1C(=O)[O-]	REAL300018065702	0	44	0.0	-99.50	367.98	8.80	-90.70
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065703	1	46	0.0	-94.49	386.78	9.83	-84.66
COC1=CC(C[NH2+]CC2=C(OCC(F)(F)F)N(C)N=C2C)=CC=C1C(=O)[O-]	REAL300018065704	1	47	0.0	-91.42	405.99	7.39	-84.03
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065705	0	49	0.0	-81.39	374.22	11.39	-70.00
COC1=CC(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)=CC=C1C(=O)[O-]	REAL300018065707	1	43	0.0	-90.82	371.73	9.64	-81.18
CCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300018065708	0	46	0.0	-92.06	371.25	8.47	-83.59
COC1=CC(C[NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300018065709	0	49	0.0	-91.40	404.27	12.01	-79.39
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1Cl	REAL300018065710	0	45	0.0	-95.68	388.87	10.23	-85.45
COC1=CC(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(=O)[O-]	REAL300018065711	0	43	0.0	-92.54	373.61	9.89	-82.65
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065712	0	50	0.0	-88.22	401.30	9.96	-78.26
COC1=CC(C[NH2+]C2CCCC2CCC(C)C)=CC=C1C(=O)[O-]	REAL300018065713	0	52	0.0	-83.31	390.42	11.09	-72.22
CCCCC1CCCC1[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065714	0	49	0.0	-83.07	372.85	10.57	-72.50
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C2OC(C)CC2=C1	REAL300018065715	0	49	0.0	-87.02	395.00	8.74	-78.28
COC1=CC(C[NH2+]CC2=NN(C)C3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300018065716	0	43	0.0	-91.38	358.52	8.79	-82.59
COC1=CC(C[NH2+]CC2=C3C=CC=CC3=NN2)=CC=C1C(=O)[O-]	REAL300018065717	0	40	0.0	-102.67	335.46	7.49	-95.18
COC1=CC(C[NH2+]CC2=CC=C(N(C)C)C(F)=C2)=CC=C1C(=O)[O-]	REAL300018065718	0	45	0.0	-95.70	369.49	8.42	-87.28
COC1=CC(C[NH2+]CC2=NC=CN2CC(F)(F)F)=CC=C1C(=O)[O-]	REAL300018065719	1	40	0.0	-92.61	346.10	8.35	-84.26
COC1=CC(CNC2CC[NH+](C3CCCCC3C)CC2)=CC=C1C(=O)[O-]	REAL300018065720	0	58	0.0	-79.83	411.45	10.41	-69.42
COC1=CC(C[NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)=CC=C1C(=O)[O-]	REAL300018065721	0	52	0.0	-81.40	404.34	12.70	-68.70
COC1=CC(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065722	1	46	0.0	-93.19	399.47	8.33	-84.86
COC1=CC(C[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)=CC=C1C(=O)[O-]	REAL300018065723	0	48	0.0	-93.56	386.00	10.12	-83.44
COC1=CC(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065724	1	43	0.0	-91.05	365.24	7.31	-83.74
COC1=CC(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)=CC=C1C(=O)[O-]	REAL300018065725	1	40	0.0	-88.27	365.05	8.69	-79.58
COC1=CC(C[NH2+]C(C)CC2=CSC=C2)=CC=C1C(=O)[O-]	REAL300018065726	0	40	0.0	-81.51	333.58	9.14	-72.37
COC1=CC(C[NH2+]CC2CCCCCCC2)=CC=C1C(=O)[O-]	REAL300018065727	0	49	0.0	-86.93	351.25	10.06	-76.87
COC1=CC(C[NH2+]CC2=CNN=C2C2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300018065728	0	47	0.0	-92.39	386.42	9.40	-82.99
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC(C(F)(F)F)=C1	REAL300018065729	0	44	0.0	-95.66	376.81	9.16	-86.50
COC1=CC(C[NH2+]CC2=CC=C(Br)C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065730	0	37	0.0	-89.38	342.57	9.93	-79.45
COC1=CC(C[NH2+]C(C)CSC(C)(C)C)=CC=C1C(=O)[O-]	REAL300018065731	0	46	0.0	-80.38	364.86	9.65	-70.73
COC1=CC(C[NH2+]CC2=CN=C(N(C)C)N2C)=CC=C1C(=O)[O-]	REAL300018065732	0	45	0.0	-95.23	367.22	7.94	-87.29
COC1=CC(C[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)=CC=C1C(=O)[O-]	REAL300018065733	1	44	0.0	-94.93	367.50	9.18	-85.75
COC1=CC(C[NH2+]CC2=CC=C(OCC(C)C)C=C2)=CC=C1C(=O)[O-]	REAL300018065734	0	50	0.0	-91.26	401.54	10.59	-80.67
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065735	0	48	0.0	-93.59	393.56	8.37	-85.22
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065736	0	46	0.0	-84.07	384.72	11.58	-72.49
COC1=CC(C[NH2+]CC2CCCC(C)(C)C2)=CC=C1C(=O)[O-]	REAL300018065737	0	49	0.0	-86.95	363.56	10.10	-76.85
COC1=CC(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065738	0	41	0.0	-96.88	363.86	8.99	-87.89
COC1=CC(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)=CC=C1C(=O)[O-]	REAL300018065739	1	45	0.0	-96.85	401.62	10.33	-86.52
COC1=CC(C[NH2+]CC2=CC=C(N(C)C)C=C2C)=CC=C1C(=O)[O-]	REAL300018065740	0	48	0.0	-87.81	375.10	9.79	-78.02
COC1=CC(C[NH2+]CC2=CC=C3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065741	0	44	0.0	-88.94	354.11	10.78	-78.16
COC1=CC(C[NH2+]C(C)CC2=CC=CC=C2C)=CC=C1C(=O)[O-]	REAL300018065742	0	46	0.0	-82.52	359.39	10.66	-71.86
COC1=CC(C[NH2+]C(C)CC2=CC=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300018065743	0	46	0.0	-81.06	364.78	10.89	-70.17
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1)OCO2	REAL300018065744	0	44	0.0	-90.35	362.73	6.89	-83.46
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300018065745	0	45	0.0	-89.55	379.15	8.55	-81.00
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)SC=C1	REAL300018065746	0	38	0.0	-81.44	328.69	7.28	-74.16
COC1=CC(C[NH2+]CC2=CC=CC(OCC(C)C)=C2)=CC=C1C(=O)[O-]	REAL300018065747	0	50	0.0	-89.40	401.54	10.59	-78.81
COC1=CC(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300018065748	0	43	0.0	-97.95	355.11	11.04	-86.91
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300018065749	0	49	0.0	-99.70	422.04	10.23	-89.47
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1CN1C=CC=N1	REAL300018065750	0	51	0.0	-97.48	420.67	9.87	-87.61
COC1=CC(C[NH2+]CC2=CC=CC=C2OCC(C)C)=CC=C1C(=O)[O-]	REAL300018065751	0	50	0.0	-83.26	400.14	10.66	-72.60
COC1=CC(C[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300018065752	0	48	0.0	-83.27	385.88	10.09	-73.18
COC1=CC(C[NH2+]CC2=C(Cl)C=NC=C2Cl)=CC=C1C(=O)[O-]	REAL300018065753	1	36	0.0	-83.72	332.04	7.91	-75.81
COC1=CC(C[NH2+]CC2=NC3=C(CCCC3)S2)=CC=C1C(=O)[O-]	REAL300018065754	1	43	0.0	-86.94	357.10	8.62	-78.32
COC1=CC(C[NH2+]CC2=CC=NC=C2Br)=CC=C1C(=O)[O-]	REAL300018065755	1	36	0.0	-89.44	319.43	7.67	-81.77
COC1=CC(C[NH2+]CC2=CC=NC=C2Cl)=CC=C1C(=O)[O-]	REAL300018065756	1	36	0.0	-90.16	315.82	7.57	-82.59
COC1=CC(C[NH2+]CC(C)(C)N2CCOCC2)=CC=C1C(=O)[O-]	REAL300018065757	0	49	0.0	-86.63	361.79	5.89	-80.74
COC1=CC(C[NH2+]CC2=CC(F)=CC(Br)=C2)=CC=C1C(=O)[O-]	REAL300018065758	0	37	0.0	-96.28	336.29	9.55	-86.73
COC1=CC(C[NH2+]C(C)CC2=CC=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065759	0	43	0.0	-81.80	357.74	11.09	-70.71
COC1=CC(C[NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065760	0	47	0.0	-92.55	387.87	10.03	-82.52
CCC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=N1	REAL300018065761	0	41	0.0	-97.33	341.53	7.46	-89.87
COC1=CC(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)=CC=C1C(=O)[O-]	REAL300018065762	0	44	0.0	-92.29	366.93	10.07	-82.22
COC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065763	0	42	0.0	-98.60	367.51	10.46	-88.14
COC1=CC(C[NH2+]CC2=CC3=CC=NC=C3C=C2)=CC=C1C(=O)[O-]	REAL300018065764	0	42	0.0	-97.64	349.58	9.35	-88.29
COC1=CC(C[NH2+]CC2=CC(C)=C(Br)S2)=CC=C1C(=O)[O-]	REAL300018065765	0	37	0.0	-91.59	340.07	9.31	-82.28
COC1=CC(C[NH2+]CC2=CC=CC3=NNC=C32)=CC=C1C(=O)[O-]	REAL300018065766	0	40	0.0	-101.47	334.70	7.57	-93.90
COC1=CC(C[NH2+]CC2=CC=CC3=CNN=C32)=CC=C1C(=O)[O-]	REAL300018065767	0	40	0.0	-84.91	334.85	7.56	-77.35
COC1=CC(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065768	0	40	0.0	-94.73	357.75	10.01	-84.72
COC1=CC(C[NH2+]CC2=CN=C3CCCN23)=CC=C1C(=O)[O-]	REAL300018065769	0	41	0.0	-93.91	334.58	8.45	-85.46
COC1=CC(C[NH2+]C2CCN(S(C)(=O)=O)CC2)=CC=C1C(=O)[O-]	REAL300018065770	0	45	0.0	-98.81	362.31	4.70	-94.11
COC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065771	0	41	0.0	-94.21	344.49	8.24	-85.97
COC1=CC(C[NH2+]C(C)CC2=CN=CC=N2)=CC=C1C(=O)[O-]	REAL300018065772	0	41	0.0	-80.56	331.10	7.25	-73.31
COC1=CC(C[NH2+]CC2=CN=C(C(C)(C)C)N=C2)=CC=C1C(=O)[O-]	REAL300018065773	0	47	0.0	-96.82	380.21	8.82	-88.00
COC1=CC=CC=C1N1CCC([NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300018065774	0	53	0.0	-88.15	404.53	8.76	-79.39
COC1=CC(C[NH2+]CC2=CC=C(C)C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065775	0	40	0.0	-84.59	342.69	9.98	-74.61
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065776	0	45	0.0	-90.31	375.94	7.79	-82.52
COC1=CC(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065777	1	41	0.0	-83.36	360.54	8.91	-74.45
COC1=CC(C[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065778	0	39	0.0	-110.30	349.25	9.91	-100.39
COC1=CC(C[NH2+]CCC2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065779	0	40	0.0	-90.99	346.82	10.17	-80.82
COC1=CC(C[NH2+]C2CCCC2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065780	0	47	0.0	-80.73	359.05	11.56	-69.17
COC1=CC(C[NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)=CC=C1C(=O)[O-]	REAL300018065781	0	50	0.0	-94.28	413.88	10.74	-83.54
COC1=CC(C[NH2+]C(C)CC2=CC=C(F)C=C2Br)=CC=C1C(=O)[O-]	REAL300018065782	0	43	0.0	-80.96	360.58	11.22	-69.74
COC1=CC(C[NH2+]CC2=CN=C(C3=CC=C(C)C=C3)S2)=CC=C1C(=O)[O-]	REAL300018065783	0	46	0.0	-92.48	395.00	10.57	-81.91
COC1=CC(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300018065784	0	42	0.0	-84.81	365.05	9.91	-74.90
COC1=CC(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300018065785	0	42	0.0	-77.95	362.32	9.80	-68.15
COC1=CC(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)=CC=C1C(=O)[O-]	REAL300018065786	0	42	0.0	-88.70	353.95	9.45	-79.25
COC1=CC(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)=CC=C1C(=O)[O-]	REAL300018065787	0	42	0.0	-86.06	354.76	9.48	-76.58
COC1=CC(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)=CC=C1C(=O)[O-]	REAL300018065788	0	42	0.0	-87.85	362.81	9.83	-78.02
COC1=CC(C[NH2+]CC2=CC=C(S(C)=O)C=C2)=CC=C1C(=O)[O-]	REAL300018065789	0	42	0.0	-102.66	360.79	7.46	-95.20
COC1=CC(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065790	1	39	0.0	-100.90	349.50	9.98	-90.92
COC1=CC(C[NH2+]CC2=CC=CN2CCC(C)C)=CC=C1C(=O)[O-]	REAL300018065791	0	50	0.0	-88.93	395.59	11.26	-77.67
COC1=CC(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)=CC=C1C(=O)[O-]	REAL300018065792	0	44	0.0	-92.09	383.31	10.93	-81.16
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)=CC=C1C(=O)[O-]	REAL300018065793	0	47	0.0	-92.87	395.77	11.51	-81.36
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])C(OC)=C3)O2)C=C1	REAL300018065794	0	50	0.0	-90.99	411.71	12.20	-78.79
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(OC(F)F)=C1	REAL300018065795	0	45	0.0	-93.59	375.94	7.80	-85.79
COC1=CC(C[NH2+]C2CCOC(C(C)C)C2)=CC=C1C(=O)[O-]	REAL300018065796	0	47	0.0	-86.38	357.57	8.00	-78.38
CCN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(C2=CC=CC=C2)=N1	REAL300018065797	0	50	0.0	-91.88	409.31	10.93	-80.95
COC1=CC(C[NH2+]CC2=CC=C3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065798	0	47	0.0	-88.43	371.27	11.36	-77.07
COC1=CC(C[NH2+]C2CCC(C3CCCCC3)CC2)=CC=C1C(=O)[O-]	REAL300018065799	0	56	0.0	-82.96	398.54	12.08	-70.88
COC1=CC(C[NH2+]C(C)CC(C)CC(C)C)=CC=C1C(=O)[O-]	REAL300018065800	0	51	0.0	-83.35	379.57	10.25	-73.10
COC1=CC(C[NH2+]CC(C)C2=CC=C(C)C=C2)=CC=C1C(=O)[O-]	REAL300018065801	0	46	0.0	-87.57	366.00	10.86	-76.71
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C(C)(C)C	REAL300018065802	0	53	0.0	-90.74	409.25	10.85	-79.89
COCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)O1	REAL300018065803	0	41	0.0	-90.93	344.90	6.89	-84.04
COC1=CC(C[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)=CC=C1C(=O)[O-]	REAL300018065804	0	50	0.0	-88.95	388.98	10.01	-78.94
COC1=CC(C[NH2+]CC(C)C2CCCCC2)=CC=C1C(=O)[O-]	REAL300018065805	0	49	0.0	-85.86	364.43	10.32	-75.54
COC1=CC(C[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)=CC=C1C(=O)[O-]	REAL300018065806	0	42	0.0	-104.04	362.76	3.83	-100.21
COC1=CC(C[NH2+]C2CCC3=CC=CC(Cl)=C3C2)=CC=C1C(=O)[O-]	REAL300018065807	0	44	0.0	-86.55	359.98	10.84	-75.71
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1	REAL300018065808	0	47	0.0	-90.89	374.75	9.73	-81.16
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065809	0	44	0.0	-83.65	358.13	8.90	-74.75
COC1=CC(C[NH2+]CC2CCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300018065810	0	47	0.0	-91.93	368.10	11.32	-80.61
COC1=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2N)=CC=C1C(=O)[O-]	REAL300018065811	0	39	0.0	-94.05	350.17	7.98	-86.07
COC1=CC(C[NH2+]C2CCC(C3=CC=C(F)C=C3)C2)=CC=C1C(=O)[O-]	REAL300018065812	0	47	0.0	-91.06	375.09	11.30	-79.76
COCC1=CSC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065813	0	41	0.0	-88.77	354.10	7.70	-81.07
CCCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065814	0	43	0.0	-86.54	363.67	10.33	-76.21
COC1=CC(C[NH2+]CC2=NC=CN2C(C)C)=CC=C1C(=O)[O-]	REAL300018065815	1	43	0.0	-90.83	349.43	8.68	-82.15
COC1=CC(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300018065816	0	42	0.0	-103.36	348.88	10.13	-93.23
COC1=CC(C[NH2+]CC2=CC=C(Br)C(C)=C2)=CC=C1C(=O)[O-]	REAL300018065817	0	40	0.0	-93.66	348.07	10.06	-83.60
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=CC=C1Cl	REAL300018065818	0	41	0.0	-97.28	354.11	8.72	-88.56
COC1=CC=CC(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065819	0	44	0.0	-82.97	353.74	8.75	-74.22
COC1=CC(C[NH2+]CC2=C3OC=CC3=CC=C2)=CC=C1C(=O)[O-]	REAL300018065820	0	40	0.0	-88.26	335.91	9.19	-79.07
COC1=CC(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065821	1	44	0.0	-89.88	367.47	9.99	-79.89
COC1=CC(C[NH2+]CC2=CN=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300018065822	1	36	0.0	-99.73	334.65	7.29	-92.44
CCC1=NN(C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065823	0	43	0.0	-93.09	352.52	8.00	-85.09
COC1=CC(C[NH2+]CC2=NN3CCCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065824	1	44	0.0	-86.24	353.17	8.20	-78.04
COC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065825	0	37	0.0	-93.18	326.09	4.47	-88.71
COC1=CC(C[NH2+]C2CC3=CC=C(Cl)C=C3C2)=CC=C1C(=O)[O-]	REAL300018065826	0	41	0.0	-93.32	347.09	10.46	-82.86
COC1=CC(C[NH2+]CC2=CC3=C(C=N2)OCCO3)=CC=C1C(=O)[O-]	REAL300018065827	1	42	0.0	-90.40	348.01	6.23	-84.17
COC1=CC(C[NH2+]CC2=CN=C3C=CC(Cl)=CN23)=CC=C1C(=O)[O-]	REAL300018065828	0	40	0.0	-96.69	352.14	9.82	-86.87
COC1=CC(C[NH2+]CC2=CN=C3C(C)=CC=CN23)=CC=C1C(=O)[O-]	REAL300018065829	0	43	0.0	-97.64	356.86	9.91	-87.73
COC1=CC(C[NH2+]CC2=CN=C(Cl)N2C)=CC=C1C(=O)[O-]	REAL300018065830	0	37	0.0	-98.66	324.92	7.73	-90.93
COC1=CC(C[NH2+]CC2=CN=C(Br)N2C)=CC=C1C(=O)[O-]	REAL300018065831	0	37	0.0	-98.49	329.21	7.76	-90.73
COC1=CC(C[NH2+]CC2=CC(C(F)(F)F)=NN2)=CC=C1C(=O)[O-]	REAL300018065833	0	37	0.0	-102.83	329.64	6.21	-96.62
COC1=CC(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)=CC=C1C(=O)[O-]	REAL300018065834	0	41	0.0	-97.10	346.96	8.89	-88.21
COC1=CC(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)=CC=C1C(=O)[O-]	REAL300018065835	0	41	0.0	-98.04	346.87	8.88	-89.16
CCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=N1	REAL300018065836	0	43	0.0	-90.13	357.60	6.47	-83.66
COC1=CC(C[NH2+]CC2=CC=CC(Cl)=C2C)=CC=C1C(=O)[O-]	REAL300018065837	0	40	0.0	-91.42	337.44	9.94	-81.48
COC1=CC(C[NH2+]CC2=CC3=CC=NC=C3S2)=CC=C1C(=O)[O-]	REAL300018065838	0	39	0.0	-95.70	340.70	8.62	-87.08
COC1=CC(C[NH2+]CC2=CN=C3C=CC=C(C)N23)=CC=C1C(=O)[O-]	REAL300018065839	0	43	0.0	-96.09	345.99	9.71	-86.38
COC1=CC(C[NH2+]C(C)CCC2=NNC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300018065840	0	49	0.0	-91.56	392.63	9.61	-81.95
C=CCCCCCC(C)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065841	0	49	0.0	-82.43	382.93	10.89	-71.54
COC1=CC(C[NH2+]CC2=CC(C)=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065842	0	40	0.0	-91.96	346.72	10.04	-81.92
COCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065843	0	44	0.0	-91.10	363.64	8.60	-82.50
COCC(CC(C)(C)C)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065844	0	49	0.0	-78.22	367.51	8.38	-69.84
COC1=CC(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)=CC=C1C(=O)[O-]	REAL300018065845	0	42	0.0	-103.90	356.00	9.31	-94.59
COC1=CC(C[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)=CC=C1C(=O)[O-]	REAL300018065846	0	45	0.0	-97.44	369.82	10.07	-87.37
COC1=CC(C[NH2+]C2CCCC(C(C)C)C2)=CC=C1C(=O)[O-]	REAL300018065847	0	49	0.0	-82.65	356.92	10.19	-72.46
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1C	REAL300018065848	0	50	0.0	-91.30	401.51	10.64	-80.66
COC1=CC(C[NH2+]CC2=NC=C(C)C(OC)=C2C)=CC=C1C(=O)[O-]	REAL300018065849	0	46	0.0	-87.65	371.10	7.67	-79.98
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065850	0	47	0.0	-87.71	382.41	10.51	-77.20
COC1=CC(C[NH2+]C2CCCCC23CCCC3)=CC=C1C(=O)[O-]	REAL300018065851	0	50	0.0	-80.22	355.46	10.79	-69.43
COC1=CC(C[NH2+]CC2=CC=C(S(C)(=O)=O)S2)=CC=C1C(=O)[O-]	REAL300018065852	0	40	0.0	-101.14	361.67	5.56	-95.58
COC1=CC(C[NH2+]CC2=C3N=CC(Br)=CN3N=C2)=CC=C1C(=O)[O-]	REAL300018065853	0	39	0.0	-88.48	352.48	8.41	-80.07
COC1=CC(C[NH2+]CC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)=CC=C1C(=O)[O-]	REAL300018065854	0	56	0.0	-90.72	444.93	13.08	-77.64
COC1=CC(C[NH2+]CC2=CC=CC(F)=C2N)=CC=C1C(=O)[O-]	REAL300018065855	0	39	0.0	-92.47	324.54	7.00	-85.47
COC1=CC(C[NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)=CC=C1C(=O)[O-]	REAL300018065856	0	55	0.0	-85.37	417.76	10.07	-75.30
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065857	0	57	0.0	-82.67	435.11	12.16	-70.51
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065858	0	57	0.0	-86.66	451.01	12.00	-74.66
COC1=CC(C[NH2+]CC2=CC=C(C(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300018065859	0	40	0.0	-94.04	340.76	9.74	-84.30
COC1=CC(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)=CC=C1C(=O)[O-]	REAL300018065860	0	39	0.0	-98.19	347.99	6.84	-91.35
COC1=CC(C[NH2+]CC2=CC=CC3=C2CCC3)=CC=C1C(=O)[O-]	REAL300018065861	0	44	0.0	-88.62	352.79	10.69	-77.93
COC1=CC(C[NH2+]CC2=CN(C)N=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065862	1	39	0.0	-100.39	336.76	8.25	-92.14
COC1=CC(C[NH2+]CC2=NC(Cl)=CS2)=CC=C1C(=O)[O-]	REAL300018065863	1	33	0.0	-92.24	310.34	6.43	-85.81
COC1=NSC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065864	0	37	0.0	-96.21	325.89	4.79	-91.42
COC1=CC(C[NH2+]CC2=CN=C3C=CC(Br)=CN23)=CC=C1C(=O)[O-]	REAL300018065865	0	40	0.0	-96.70	356.70	9.92	-86.78
COC1=CC(C[NH2+]CC2=NC=CC3=CC=CC=C32)=CC=C1C(=O)[O-]	REAL300018065866	0	42	0.0	-89.78	346.31	9.16	-80.62
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065867	1	41	0.0	-78.52	350.79	8.64	-69.88
COC1=CC(C[NH2+]CC2=CN=C(C)N2C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065868	0	47	0.0	-87.95	387.62	11.15	-76.80
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065869	0	55	0.0	-93.03	443.39	13.64	-79.39
CCCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1C	REAL300018065870	0	49	0.0	-91.95	393.78	9.26	-82.69
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1F	REAL300018065871	0	51	0.0	-95.13	409.04	10.04	-85.09
CCOC1CC([NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C12CCCC2	REAL300018065872	0	51	0.0	-85.06	389.80	9.94	-75.12
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C(SC)C=C1OC	REAL300018065873	0	49	0.0	-88.76	402.88	9.01	-79.75
COC1=CC(C[NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)=CC=C1C(=O)[O-]	REAL300018065874	0	57	0.0	-88.05	428.54	9.60	-78.45
COC1=CC(C[NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065875	0	48	0.0	-90.33	385.20	11.38	-78.95
COC1=CC(C[NH2+]C2CCCC23CCCC3)=CC=C1C(=O)[O-]	REAL300018065876	0	47	0.0	-81.59	346.20	10.32	-71.27
CCCC(C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1)C1=CC=CC=C1	REAL300018065877	0	49	0.0	-89.14	385.62	11.59	-77.55
COC1=CC(C[NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300018065878	0	53	0.0	-86.64	399.11	12.52	-74.12
COC1=CC(C[NH2+]CC2=CN=C(C3CC3)O2)=CC=C1C(=O)[O-]	REAL300018065879	1	40	0.0	-92.70	337.30	6.18	-86.52
COC1=CC(C[NH2+]CC2=CC(F)=CC=C2OC(C)C)=CC=C1C(=O)[O-]	REAL300018065880	0	47	0.0	-86.04	382.91	9.85	-76.19
COC1=CC(C[NH2+]CC2=NC3=CC=C(F)C=C3S2)=CC=C1C(=O)[O-]	REAL300018065881	1	39	0.0	-92.47	346.66	8.39	-84.08
COC1=CC(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065882	0	41	0.0	-92.73	352.87	8.58	-84.15
COC1=CC(C[NH2+]CC2=CC3=CC=CC=C3C(OC)=C2)=CC=C1C(=O)[O-]	REAL300018065883	0	47	0.0	-94.75	383.05	10.48	-84.27
CCOC1=CN=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065884	0	43	0.0	-94.38	354.87	7.27	-87.11
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065885	0	44	0.0	-93.90	366.35	9.16	-84.74
COC1=CC=C(C(C)C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065886	0	47	0.0	-90.78	374.07	9.47	-81.31
COC1=CC(C[NH2+]CC2=CC(C3CC3)=NN2C)=CC=C1C(=O)[O-]	REAL300018065887	0	44	0.0	-97.35	360.90	8.52	-88.83
COC1=CC(CNC2CC[N@@H+]3CCCC3C2)=CC=C1C(=O)[O-]	REAL300018065888	0	46	0.0	-78.59	348.29	8.01	-70.58
COC1=CC(CNC2CC[N@H+]3CCCC3C2)=CC=C1C(=O)[O-]	REAL300018065888	1	46	0.0	-76.17	346.07	8.42	-67.75
COC1=CC(C[NH2+]C2CCC3(CCCCC3)CC2)=CC=C1C(=O)[O-]	REAL300018065889	0	53	0.0	-84.71	376.04	10.75	-73.96
COC1=CC(C[NH2+]C(C)C(C)C2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065890	0	46	0.0	-84.43	359.10	10.55	-73.88
COC1=CC(C[NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)=CC=C1C(=O)[O-]	REAL300018065891	0	45	0.0	-94.91	361.73	9.94	-84.97
COC1=CC(C[NH2+]C2CN(CC3=CC=CC=C3)CC2C)=CC=C1C(=O)[O-]	REAL300018065892	0	52	0.0	-81.09	392.40	8.95	-72.14
COC1=CC(C[NH2+]CC2=CC=CC3=C(OC)C=CC=C23)=CC=C1C(=O)[O-]	REAL300018065893	0	47	0.0	-94.11	377.93	10.36	-83.75
COC1=CC(C[NH2+]CC2=CC=NN2CC2CC2)=CC=C1C(=O)[O-]	REAL300018065894	0	44	0.0	-93.73	358.02	8.93	-84.80
COC1=CC(C[NH2+]C(C)CCC2=CC=CN=C2)=CC=C1C(=O)[O-]	REAL300018065895	0	45	0.0	-89.95	360.37	9.22	-80.73
COC1=CC(C[NH2+]CC2=CC=CC(C(C)C)=C2)=CC=C1C(=O)[O-]	REAL300018065896	0	46	0.0	-88.47	368.80	10.79	-77.68
COC1=CC(C[NH2+]CC2=CC=C(S(N)(=O)=O)O2)=CC=C1C(=O)[O-]	REAL300018065897	1	39	0.0	-102.44	345.94	2.01	-100.43
COC1=CC(C[NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)=CC=C1C(=O)[O-]	REAL300018065898	0	48	0.0	-90.57	387.13	11.90	-78.67
COC1=CC(C[NH2+]C2CCC3(CCOCC3)CC2)=CC=C1C(=O)[O-]	REAL300018065899	0	51	0.0	-87.91	367.58	8.39	-79.52
COC1=CC(C[NH2+]CC2=CN=CC(OC)=C2C)=CC=C1C(=O)[O-]	REAL300018065900	0	43	0.0	-93.73	347.11	7.03	-86.70
COC1=CC(C[NH2+]CC2=CC=CC(Cl)=C2N)=CC=C1C(=O)[O-]	REAL300018065901	0	39	0.0	-91.25	333.46	7.48	-83.77
COC1=CC(C[NH2+]CCC2=CC=C(F)C=C2Cl)=CC=C1C(=O)[O-]	REAL300018065902	0	40	0.0	-90.68	350.24	10.13	-80.55
COC1=CC(C[NH2+]CC2=CC3=CN=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065903	0	39	0.0	-96.62	331.18	7.66	-88.96
COC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)S2)=CC=C1C(=O)[O-]	REAL300018065904	0	37	0.0	-95.13	339.43	9.18	-85.95
COC1=CC(C[NH2+]CC2=CC3=C(C)C=CC=C3N2)=CC=C1C(=O)[O-]	REAL300018065905	0	44	0.0	-94.89	361.42	9.46	-85.43
CCOC1CCC([NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300018065906	0	47	0.0	-83.17	359.70	8.38	-74.79
COC1=CC(C[NH2+]CC2=CSC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065907	0	37	0.0	-96.00	339.18	9.01	-86.99
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1	REAL300018065908	0	50	0.0	-90.75	396.24	10.53	-80.22
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC1CC1	REAL300018065909	0	49	0.0	-97.70	398.36	9.74	-87.96
COC1=CC(C[NH2+]C2CCC3(CCCC3)CC2)=CC=C1C(=O)[O-]	REAL300018065910	0	50	0.0	-84.42	365.40	10.42	-74.00
COC1=CC(C[NH2+]CC2=CC=C(C(F)F)N=C2)=CC=C1C(=O)[O-]	REAL300018065911	0	39	0.0	-99.50	336.59	7.99	-91.51
COC1=CC(C[NH2+]C2CCC3=CC=CC=C3CC2)=CC=C1C(=O)[O-]	REAL300018065912	0	47	0.0	-87.99	359.67	10.87	-77.12
CCC1(C)CCC([NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300018065914	0	49	0.0	-83.87	355.67	9.64	-74.23
COC1=CC(C[NH2+]C2CCCC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300018065915	0	47	0.0	-86.25	359.85	10.88	-75.37
COC1=CC(C[NH2+]CC2=CN(C)N=C2C(F)F)=CC=C1C(=O)[O-]	REAL300018065916	0	40	0.0	-91.16	338.81	7.53	-83.63
COC1=CC(C[NH2+]C(C)C2CCCCCC2)=CC=C1C(=O)[O-]	REAL300018065917	0	49	0.0	-82.90	352.74	10.12	-72.78
COC1=CC(C[NH2+]C(C)C2=CC=C(C3=CC=CC=C3)C=N2)=CC=C1C(=O)[O-]	REAL300018065918	0	49	0.0	-85.13	394.02	11.24	-73.89
CCC1(CC)CCC([NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300018065919	0	52	0.0	-84.34	370.22	10.13	-74.21
COC1=CC(C[NH2+]CC2=CC=CC3=C2CCOC3)=CC=C1C(=O)[O-]	REAL300018065920	0	45	0.0	-91.74	355.41	8.84	-82.90
COC1=CC(C[NH2+]CC2CC2C2=CC=C(F)C=C2)=CC=C1C(=O)[O-]	REAL300018065921	0	44	0.0	-88.95	358.81	10.81	-78.14
COC1=CC(C[NH2+]C(C)CC2=COC3=CC=CC=C23)=CC=C1C(=O)[O-]	REAL300018065922	0	46	0.0	-82.72	369.91	10.57	-72.15
COC1=CC(C[NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)=CC=C1C(=O)[O-]	REAL300018065923	0	42	0.0	-101.28	362.76	3.82	-97.46
CCCN1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065924	0	43	0.0	-94.68	347.79	8.15	-86.53
COC1=CC(C[NH2+]CC2=CC3=CC=C(C)C=C3N2)=CC=C1C(=O)[O-]	REAL300018065925	0	44	0.0	-94.44	361.83	9.47	-84.97
COC1=CC(C[NH2+]CC2=C3CCCN3N=C2)=CC=C1C(=O)[O-]	REAL300018065926	0	41	0.0	-92.18	335.05	7.47	-84.71
COC1=CC(C[NH2+]CC2=NN3CCCC3=C2)=CC=C1C(=O)[O-]	REAL300018065927	1	41	0.0	-87.38	335.11	7.39	-79.99
COC1=CC(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065929	0	41	0.0	-91.36	352.80	8.60	-82.76
COC1=CC(C[NH2+]CC2=C(C)C=CC([N+](=O)[O-])=C2C)=CC=C1C(=O)[O-]	REAL300018065930	0	45	0.0	-102.06	367.80	10.52	-91.54
COC1=CC(C[NH2+]C2CCCCC(C3=CC=CC=C3)C2)=CC=C1C(=O)[O-]	REAL300018065931	0	53	0.0	-86.82	397.24	12.18	-74.64
COC1=CC(C[NH2+]CC2=CC3=CC=CN=C3O2)=CC=C1C(=O)[O-]	REAL300018065932	0	39	0.0	-97.08	331.23	6.35	-90.73
COC1=CC(C[NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065933	0	53	0.0	-92.20	425.60	13.61	-78.59
COC1=CC(C[NH2+]C2CCCC2C2=CC=C(Cl)C=C2)=CC=C1C(=O)[O-]	REAL300018065934	0	47	0.0	-86.09	377.83	12.07	-74.02
COC1=CC(C[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)=CC=C1C(=O)[O-]	REAL300018065935	0	46	0.0	-101.00	382.88	12.40	-88.60
CCC1CCCC([NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)CC1	REAL300018065936	0	49	0.0	-83.46	357.20	9.94	-73.52
COC1=CC(C[NH2+]C2CCCC(C)(C)CC2)=CC=C1C(=O)[O-]	REAL300018065937	0	49	0.0	-83.76	346.93	9.44	-74.32
COC1=CC(C[NH2+]C2CCCC(C(C)(C)C)CC2)=CC=C1C(=O)[O-]	REAL300018065938	0	55	0.0	-83.83	389.12	10.77	-73.06
COC1=CC(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)=CC=C1C(=O)[O-]	REAL300018065939	0	40	0.0	-95.64	342.87	9.46	-86.18
COC1=CC(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300018065940	0	44	0.0	-96.72	372.95	9.41	-87.31
COC1=CC(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)=CC=C1C(=O)[O-]	REAL300018065941	0	44	0.0	-96.84	372.50	7.17	-89.67
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(Br)=C1	REAL300018065942	1	41	0.0	-87.31	354.34	8.71	-78.60
COCC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065943	0	44	0.0	-90.43	363.64	8.59	-81.84
COC1=CC(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)=CC=C1C(=O)[O-]	REAL300018065944	0	47	0.0	-97.58	403.72	11.19	-86.39
COC1=CC(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)=CC=C1C(=O)[O-]	REAL300018065946	0	48	0.0	-95.28	409.17	12.97	-82.31
COC1=CC(C[NH2+]CC2=CC(C)=C(C)C=C2OC(F)F)=CC=C1C(=O)[O-]	REAL300018065947	0	47	0.0	-89.39	385.57	9.74	-79.65
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065948	0	54	0.0	-88.47	420.31	10.02	-78.45
COC1=CC(C)=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1OC	REAL300018065949	0	48	0.0	-94.58	382.07	8.70	-85.88
COC1=CC(C[NH2+]CC2=CC=CC=C2C2CC2)=CC=C1C(=O)[O-]	REAL300018065950	0	44	0.0	-87.73	351.60	10.88	-76.85
COC1=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])=CC=C1C(=O)[O-]	REAL300018065951	1	39	0.0	-91.97	367.51	10.79	-81.18
COC1=CC(C[NH2+]CC2=CC(Br)=C(C)S2)=CC=C1C(=O)[O-]	REAL300018065952	0	37	0.0	-89.71	341.16	9.37	-80.34
COC1=CC(C[NH2+]CCC2=CC=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300018065953	0	40	0.0	-91.34	341.95	9.75	-81.59
COC1=CC(C[NH2+]CCC2=CC(C)=CC(C)=C2)=CC=C1C(=O)[O-]	REAL300018065954	0	46	0.0	-88.53	372.90	10.98	-77.55
COC1=CC(C[NH2+]CC2=CNN=C2C2=CC=CC(Cl)=C2)=CC=C1C(=O)[O-]	REAL300018065955	0	44	0.0	-97.41	381.27	9.26	-88.15
COC1=CC(C[NH2+]C2CCCCC2C2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300018065956	0	50	0.0	-81.73	396.42	12.10	-69.63
COC1=CC=C(CC(C)[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C(C)=C1OC	REAL300018065957	0	54	0.0	-87.61	419.69	9.99	-77.62
COC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])C(OC)=C3)C=N2)C=C1	REAL300018065958	0	48	0.0	-97.60	396.90	9.37	-88.23
COC1=CC(C[NH2+]C(C)CCC2=CSC=C2)=CC=C1C(=O)[O-]	REAL300018065959	0	43	0.0	-86.55	355.52	9.94	-76.61
COCCC1=CC=C(OCC(C)[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)C=C1	REAL300018065960	0	54	0.0	-87.68	430.31	9.63	-78.05
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065961	0	46	0.0	-84.87	374.09	11.26	-73.61
COC1=CC(C[NH2+]CC2=CN(C3=CC=CC=C3Cl)N=C2C)=CC=C1C(=O)[O-]	REAL300018065962	0	47	0.0	-97.62	399.17	11.37	-86.25
COC1=CC(C[NH2+]CC2=CC=C(N(C)CC3=CC=CS3)C=C2)=CC=C1C(=O)[O-]	REAL300018065963	0	52	0.0	-88.89	428.59	12.23	-76.66
COC1=CC(C[NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)=CC=C1C(=O)[O-]	REAL300018065965	0	50	0.0	-89.32	401.44	12.23	-77.09
COC1=CC(C[NH2+]C2CCCC2C2=CC=C(C(F)(F)F)C=C2)=CC=C1C(=O)[O-]	REAL300018065966	0	50	0.0	-89.66	399.84	12.55	-77.11
COC1=CC(C[NH2+]CC2=CNN=C2C2=CSC=C2)=CC=C1C(=O)[O-]	REAL300018065967	0	41	0.0	-92.17	355.43	7.74	-84.43
COC1=CC(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)=CC=C1C(=O)[O-]	REAL300018065968	0	43	0.0	-98.44	364.76	7.11	-91.33
COC1=CC(C[NH2+]C(C)CC2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300018065969	0	43	0.0	-84.67	346.68	7.94	-76.73
COC1=CC(C[NH2+]CC2=CN=C3C(=C2)C=NN3C)=CC=C1C(=O)[O-]	REAL300018065970	0	42	0.0	-102.52	352.89	8.00	-94.52
COC1=CC(C[NH2+]C(C)CCC2=CC=C(F)C=C2F)=CC=C1C(=O)[O-]	REAL300018065971	0	46	0.0	-89.06	377.41	11.13	-77.93
COC1=CC(C[NH2+]CC2=C(Cl)C=CC=C2SC(C)C)=CC=C1C(=O)[O-]	REAL300018065972	0	47	0.0	-76.90	397.79	11.57	-65.33
COC1=CC(C[NH2+]CC2=CC=C(Br)C=C2SC)=CC=C1C(=O)[O-]	REAL300018065973	0	41	0.0	-87.17	365.58	10.42	-76.75
COC1=CC(C[NH2+]CC(C)(C)CN(C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065974	0	57	0.0	-87.14	430.36	10.97	-76.17
COC1=CC(CNCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065974	1	57	0.0	-83.47	423.62	11.51	-71.96
COC1=CC(CNCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)=CC=C1C(=O)[O-]	REAL300018065974	1	57	0.0	-83.23	426.93	11.64	-71.59
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065975	0	49	0.0	-87.99	391.63	11.62	-76.37
COCC(CC1CCOCC1)[NH2+]CC1=CC=C(C(=O)[O-])C(OC)=C1	REAL300018065976	0	51	0.0	-85.51	386.84	7.08	-78.43
COC1=CC(C[NH2+]CCCC2=CN(C)N=C2)=CC=C1C(=O)[O-]	REAL300018065977	0	43	0.0	-93.11	354.40	8.22	-84.89
COC1=CC(C[NH2+]C2CCCC2C2=CC=CC=C2Cl)=CC=C1C(=O)[O-]	REAL300018065978	0	47	0.0	-82.95	380.41	11.58	-71.37
COC1=CC(C[NH2+]CC2=CN=C(N3CCN(C)CC3)N=C2)=CC=C1C(=O)[O-]	REAL300018065979	0	52	0.0	-98.57	411.95	7.15	-91.42
COC1=CC(C[NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)=CC=C1C(=O)[O-]	REAL300018065980	0	48	0.0	-89.69	397.45	12.35	-77.34
COC1=CC(C[NH2+]CC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)=CC=C1C(=O)[O-]	REAL300018065981	1	50	0.0	-91.28	399.26	10.44	-80.84
COC1=CC(C[NH2+]CC2=NC3=CC(C(F)(F)F)=CC=C3N2C)=CC=C1C(=O)[O-]	REAL300018065982	1	46	0.0	-99.73	393.94	10.21	-89.52
COC1=CC(C[NH2+]C2CCCC2C2=CC=CC(C(F)(F)F)=C2)=CC=C1C(=O)[O-]	REAL300018065983	0	50	0.0	-89.12	405.57	12.16	-76.96
COC1=CC(C[NH2+]CC2=NC3=C(CC(C)CC3)S2)=CC=C1C(=O)[O-]	REAL300018065984	1	46	0.0	-87.17	377.92	9.23	-77.94
CCC1=CN=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)S1	REAL300018065985	1	39	0.0	-86.87	336.77	7.59	-79.28
COC1=CC(C[NH2+]CC2=CC=CC=C2N2CCCCC2)=CC=C1C(=O)[O-]	REAL300018065986	0	52	0.0	-83.53	402.37	10.93	-72.60
COC1=CC(C[NH2+]C2CCC3COCCC3C2)=CC=C1C(=O)[O-]	REAL300018065987	0	48	0.0	-87.33	360.23	8.22	-79.11
COC1=CC(C[NH2+]C2CC3(C2)COC(C)(C)C3)=CC=C1C(=O)[O-]	REAL300018065988	0	48	0.0	-89.00	372.37	8.44	-80.56
COC1=CC(C[NH2+]C2CC3(C2)COC(C)C3)=CC=C1C(=O)[O-]	REAL300018065989	0	45	0.0	-88.81	351.69	7.75	-81.06
COC1=CC(C[NH2+]C2CCOC3=CC=CC=C3C2)=CC=C1C(=O)[O-]	REAL300018065990	0	45	0.0	-88.30	353.19	9.12	-79.18
COC1=CC(C[NH2+]C2CCCC3=C(C=CS3)C2)=CC=C1C(=O)[O-]	REAL300018065991	0	44	0.0	-86.91	352.42	10.07	-76.84
COC1=CC(C[NH2+]CC2=C3C(=CC=C2)N=CN3C)=CC=C1C(=O)[O-]	REAL300018065992	0	43	0.0	-97.82	346.98	10.13	-87.69
COC1=CC=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C(OC)=C2)=C1	REAL300018065993	0	44	0.0	-88.95	352.89	8.79	-80.16
COC1=CC(C[NH2+]CC2=CC(C)=CC(F)=C2)=CC=C1C(=O)[O-]	REAL300018065996	0	40	0.0	-93.17	336.40	9.60	-83.57
COC1=CC(C[NH2+]CC2=CC=C(C)C(C)=C2C)=CC=C1C(=O)[O-]	REAL300018065997	0	46	0.0	-87.24	358.09	10.61	-76.63
COC1=CC(C[NH2+]CC2=CC=CC=C2C(C)(C)C)=CC=C1C(=O)[O-]	REAL300018065998	0	49	0.0	-82.11	362.90	11.22	-70.89
COC1=CC(C[NH2+]CC2=CN=C3CCCCCN23)=CC=C1C(=O)[O-]	REAL300018065999	0	47	0.0	-94.71	364.65	9.27	-85.44
COC1=CC=C2SC(C[NH2+]CC3=CC=C(C(=O)[O-])C(OC)=C3)=CC2=C1	REAL300018066000	0	44	0.0	-92.50	375.51	9.70	-82.80
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300018072067	0	36	0.0	-36.42	312.89	9.71	-26.71
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC(C)(C)C1	REAL300018072069	0	48	0.0	-32.50	357.20	10.33	-22.17
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CC=C(F)C(F)=C1	REAL300018072070	0	40	0.0	-36.69	346.29	11.20	-25.49
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072071	0	46	0.0	-34.54	376.92	11.20	-23.34
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(Cl)=C1OC	REAL300018072072	1	41	0.0	-29.92	362.70	8.84	-21.08
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072073	0	40	0.0	-35.64	355.48	11.68	-23.96
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=C(F)C(F)=C1	REAL300018072074	0	36	0.0	-35.38	323.55	10.54	-24.84
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072075	0	43	0.0	-34.25	355.45	9.85	-24.40
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072076	0	55	0.0	-33.20	445.02	13.15	-20.05
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018072077	0	54	0.0	-33.16	419.76	13.39	-19.77
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1F	REAL300018072078	0	36	0.0	-34.72	312.89	9.70	-25.02
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(F)C(F)=C1	REAL300018072079	0	37	0.0	-33.09	318.14	9.03	-24.06
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=C(F)C(F)=C1	REAL300018072080	1	32	0.0	-45.19	308.15	8.86	-36.33
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072081	0	45	0.0	-31.87	367.36	11.69	-20.18
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2)C=C1	REAL300018072082	0	46	0.0	-34.62	381.78	13.09	-21.53
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC(C)=C1	REAL300018072083	0	39	0.0	-31.99	329.61	10.35	-21.64
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072084	1	37	0.0	-27.80	331.69	8.90	-18.90
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1[N+](=O)[O-]	REAL300018072085	0	39	0.0	-49.13	341.69	9.74	-39.39
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072086	0	33	0.0	-34.89	321.56	10.07	-24.82
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072087	0	46	0.0	-33.22	384.15	13.14	-20.08
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072088	0	37	0.0	-34.97	325.43	8.58	-26.39
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OCC	REAL300018072089	0	47	0.0	-37.57	390.55	10.10	-27.47
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072090	0	45	0.0	-28.87	335.70	10.36	-18.51
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072091	0	36	0.0	-35.93	339.99	10.47	-25.46
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=C(F)C(F)=C1	REAL300018072092	1	33	0.0	-34.14	305.65	9.53	-24.61
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072093	0	36	0.0	-37.34	327.69	8.16	-29.18
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300018072094	0	38	0.0	-34.95	322.61	9.26	-25.69
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072095	0	37	0.0	-33.78	334.09	8.86	-24.92
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072096	0	39	0.0	-41.98	346.85	6.53	-35.45
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072097	0	47	0.0	-35.54	394.37	12.07	-23.47
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072098	0	46	0.0	-33.09	377.68	10.41	-22.68
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072099	0	40	0.0	-36.97	341.69	11.07	-25.90
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072100	0	43	0.0	-34.91	377.09	12.94	-21.97
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072101	0	43	0.0	-35.59	379.03	12.99	-22.60
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072102	0	36	0.0	-29.70	320.39	9.72	-19.98
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072104	0	38	0.0	-35.42	322.68	8.86	-26.56
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=C(F)C(F)=C1	REAL300018072105	0	30	0.0	-35.14	298.45	8.71	-26.43
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072106	0	44	0.0	-34.64	362.04	8.97	-25.67
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072107	0	41	0.0	-43.80	363.47	5.61	-38.19
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(F)C(F)=C1	REAL300018072108	0	37	0.0	-32.05	319.27	9.08	-22.97
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072109	0	37	0.0	-35.27	317.54	9.03	-26.24
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072110	0	36	0.0	-31.99	311.81	9.47	-22.52
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=C(F)C(F)=C1	REAL300018072111	0	36	0.0	-42.77	327.68	8.15	-34.62
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C2O1	REAL300018072112	0	47	0.0	-34.96	377.42	10.85	-24.11
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072113	0	48	0.0	-30.35	361.14	12.08	-18.27
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072114	0	42	0.0	-35.54	357.32	10.70	-24.84
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072115	0	42	0.0	-37.71	357.51	10.72	-26.99
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2)CC1	REAL300018072116	1	50	0.0	-33.40	395.39	7.71	-25.69
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072117	0	42	0.0	-38.50	369.53	7.57	-30.93
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072118	0	43	0.0	-37.81	347.86	6.88	-30.93
O=C([O-])C([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072119	0	48	0.0	-32.60	394.10	9.89	-22.71
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=CC=C(F)C(F)=C1	REAL300018072120	0	48	0.0	-31.98	395.45	10.08	-21.90
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072121	0	47	0.0	-33.11	373.37	7.52	-25.59
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072122	0	40	0.0	-36.01	351.41	10.28	-25.73
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072123	0	40	0.0	-35.59	361.72	10.74	-24.85
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072124	0	42	0.0	-36.85	350.86	8.88	-27.97
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072125	0	40	0.0	-35.58	357.10	9.69	-25.89
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=CC=C(F)C(F)=C1	REAL300018072127	0	40	0.0	-37.50	372.67	12.35	-25.15
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072128	0	43	0.0	-37.91	357.11	8.94	-28.97
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072129	0	46	0.0	-36.52	392.31	10.52	-26.00
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072130	0	46	0.0	-35.41	392.12	10.65	-24.76
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072132	0	44	0.0	-33.24	371.15	8.50	-24.74
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300018072133	0	37	0.0	-34.59	333.62	8.91	-25.68
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072135	1	36	0.0	-29.92	335.15	6.44	-23.48
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072136	1	36	0.0	-28.87	311.93	5.78	-23.09
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC=C(F)C(F)=C1	REAL300018072137	1	32	0.0	-29.28	303.08	7.80	-21.48
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300018072139	0	38	0.0	-35.73	324.20	9.31	-26.42
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072140	0	40	0.0	-38.38	357.71	9.72	-28.66
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=C(F)C(F)=C1	REAL300018072141	0	39	0.0	-30.40	331.00	8.28	-22.12
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=C(F)C(F)=C1	REAL300018072142	0	42	0.0	-35.99	349.71	9.06	-26.93
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072143	0	40	0.0	-37.18	343.86	11.20	-25.98
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072144	0	40	0.0	-37.20	348.42	11.30	-25.90
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=C(F)C(F)=C1	REAL300018072145	0	40	0.0	-33.32	341.04	11.11	-22.21
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072146	0	41	0.0	-38.89	357.26	10.35	-28.54
O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072147	0	44	0.0	-38.98	366.26	7.44	-31.54
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072148	0	43	0.0	-32.10	360.94	10.09	-22.01
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072149	0	42	0.0	-35.30	366.74	10.61	-24.69
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=C(F)C(F)=C1	REAL300018072150	0	40	0.0	-32.29	352.83	11.61	-20.68
O=C([O-])C([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072151	0	40	0.0	-35.06	364.80	11.84	-23.22
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=NC2=NN1	REAL300018072152	0	38	0.0	-47.86	331.15	7.58	-40.28
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072153	0	47	0.0	-31.96	382.82	11.28	-20.68
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=C(F)C(F)=C1	REAL300018072155	0	36	0.0	-34.79	314.93	9.49	-25.30
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072157	0	43	0.0	-31.53	355.45	9.85	-21.68
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072163	0	42	0.0	-36.22	351.34	11.24	-24.98
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072164	0	45	0.0	-33.54	366.33	11.84	-21.70
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072165	0	45	0.0	-36.78	383.66	12.16	-24.62
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072166	0	45	0.0	-32.94	365.05	11.81	-21.13
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(F)C(F)=C1	REAL300018072167	0	36	0.0	-33.51	297.22	8.55	-24.96
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300018072168	0	48	0.0	-32.21	384.34	9.71	-22.50
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072169	0	45	0.0	-54.76	354.22	9.50	-45.26
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CC=C(F)C(F)=C1	REAL300018072172	0	40	0.0	-38.57	362.35	11.91	-26.66
O=C([O-])C([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1=CC=C(F)C(F)=C1	REAL300018072173	0	45	0.0	-36.54	365.06	9.42	-27.12
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300018072174	0	37	0.0	-41.04	324.13	7.47	-33.57
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=C(F)C(F)=C1	REAL300018072175	1	36	0.0	-30.67	331.81	10.07	-20.60
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072177	0	47	0.0	-50.26	360.44	9.34	-40.92
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C(C)S1	REAL300018072178	0	36	0.0	-31.41	315.27	9.52	-21.89
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)S2)C=C1	REAL300018072179	0	43	0.0	-34.99	375.41	12.46	-22.53
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072180	1	37	0.0	-29.93	350.34	9.49	-20.44
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072181	0	39	0.0	-36.01	345.25	9.84	-26.17
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072182	0	48	0.0	-38.70	400.55	9.09	-29.61
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072183	0	47	0.0	-34.50	374.33	7.83	-26.67
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072184	0	47	0.0	-49.90	354.05	8.77	-41.13
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1SC	REAL300018072185	0	41	0.0	-36.22	357.00	9.41	-26.81
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC	REAL300018072186	0	50	0.0	-35.55	405.45	10.53	-25.02
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC	REAL300018072187	0	48	0.0	-37.16	401.01	10.54	-26.62
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OCCC(C)C	REAL300018072188	0	53	0.0	-35.64	427.33	11.22	-24.42
O=C([O-])C([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072189	0	54	0.0	-33.82	407.51	5.09	-28.73
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC	REAL300018072190	0	47	0.0	-36.02	389.75	9.21	-26.81
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072191	0	40	0.0	-37.82	346.18	8.95	-28.87
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072192	0	45	0.0	-35.14	362.16	11.78	-23.36
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072195	0	45	0.0	-35.41	382.37	12.13	-23.28
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300018072196	0	41	0.0	-33.87	366.45	10.36	-23.51
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C2OC(C)CC2=C1	REAL300018072198	0	45	0.0	-34.96	373.21	8.91	-26.05
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C2=CC=CC=C21	REAL300018072199	1	39	0.0	-36.89	338.06	8.98	-27.91
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=C(F)C(F)=C1	REAL300018072200	0	36	0.0	-38.17	314.98	7.67	-30.50
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300018072201	0	41	0.0	-34.69	349.00	8.61	-26.08
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=C(F)C(F)=C1	REAL300018072202	1	36	0.0	-32.28	325.32	8.55	-23.73
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072203	0	54	0.0	-50.39	393.62	10.86	-39.53
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072204	0	48	0.0	-31.64	391.94	12.68	-18.96
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C2O1	REAL300018072205	0	44	0.0	-35.53	364.22	10.28	-25.25
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072208	0	36	0.0	-32.45	312.96	9.32	-23.13
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300018072209	0	40	0.0	-35.48	355.00	9.32	-26.16
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072210	0	33	0.0	-34.75	321.21	10.11	-24.64
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072211	0	42	0.0	-33.80	344.25	9.80	-24.00
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)N1C	REAL300018072212	0	41	0.0	-36.39	345.43	8.10	-28.29
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072214	0	46	0.0	-33.17	379.13	10.73	-22.44
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072215	0	44	0.0	-36.05	373.09	8.56	-27.49
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072216	0	42	0.0	-26.66	330.80	7.81	-18.85
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072217	0	42	0.0	-37.47	363.91	11.59	-25.88
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300018072218	0	45	0.0	-34.59	343.10	10.27	-24.32
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072219	0	37	0.0	-36.78	343.37	9.18	-27.60
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072220	0	44	0.0	-31.33	350.67	9.95	-21.38
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072221	0	40	0.0	-32.56	333.65	10.97	-21.59
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072222	0	42	0.0	-35.43	338.81	10.84	-24.59
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072223	0	42	0.0	-29.29	339.32	10.94	-18.35
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)OCO2	REAL300018072224	0	40	0.0	-32.47	340.33	7.01	-25.46
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072225	1	41	0.0	-35.33	357.39	8.71	-26.62
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)SC=C1	REAL300018072226	0	34	0.0	-28.94	306.28	7.41	-21.53
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072227	0	46	0.0	-31.90	381.05	10.78	-21.12
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=C(F)C(F)=C1	REAL300018072228	0	39	0.0	-33.92	333.30	11.20	-22.72
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072229	0	45	0.0	-36.30	401.58	10.43	-25.87
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1CN1C=CC=N1	REAL300018072230	0	47	0.0	-36.78	400.31	10.04	-26.74
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=C(F)C(F)=C1	REAL300018072231	0	37	0.0	-34.65	307.38	9.08	-25.57
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2O1	REAL300018072232	0	44	0.0	-28.07	365.40	10.27	-17.80
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=C(F)C(F)=C1	REAL300018072234	1	32	0.0	-34.64	296.56	7.81	-26.83
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072235	1	32	0.0	-35.45	294.65	7.75	-27.70
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=C(F)C(F)=C1	REAL300018072236	0	33	0.0	-35.42	314.49	9.71	-25.71
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072237	0	39	0.0	-31.78	339.16	10.77	-21.01
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072238	0	37	0.0	-37.18	321.05	7.65	-29.53
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072239	0	40	0.0	-33.13	344.52	10.20	-22.93
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300018072240	0	38	0.0	-37.73	327.80	9.51	-28.22
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072241	0	33	0.0	-35.60	319.58	9.50	-26.10
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=C(F)C(F)=C1	REAL300018072243	0	37	0.0	-37.50	312.80	8.62	-28.88
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072244	0	41	0.0	-45.55	339.81	4.80	-40.75
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072245	0	37	0.0	-35.10	322.71	8.40	-26.70
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072246	0	37	0.0	-38.68	313.78	6.65	-32.03
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072247	0	43	0.0	-36.30	358.40	8.99	-27.31
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072248	0	49	0.0	-34.18	383.87	8.95	-25.23
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(Cl)=C1	REAL300018072249	0	36	0.0	-32.55	318.69	10.07	-22.48
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072250	0	35	0.0	-41.30	326.83	10.04	-31.26
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072251	0	36	0.0	-38.80	324.40	10.29	-28.51
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1OC1=CC=CN=C1	REAL300018072252	0	46	0.0	-37.16	389.32	10.71	-26.45
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=C(F)C(F)=C1	REAL300018072254	0	38	0.0	-33.38	343.26	10.07	-23.31
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=C(F)C(F)=C1	REAL300018072255	0	38	0.0	-28.29	337.85	9.86	-18.43
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072256	0	38	0.0	-40.84	340.32	7.66	-33.18
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072257	1	35	0.0	-41.58	328.14	10.17	-31.41
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CCO1	REAL300018072261	0	43	0.0	-32.30	335.65	8.11	-24.19
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072262	0	43	0.0	-32.31	349.49	11.52	-20.79
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072263	0	52	0.0	-33.19	384.40	12.03	-21.16
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072264	0	47	0.0	-31.01	355.30	10.47	-20.54
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072265	0	42	0.0	-34.78	344.21	10.99	-23.79
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C(C)(C)C	REAL300018072266	0	49	0.0	-33.35	388.76	11.04	-22.31
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072268	0	46	0.0	-35.44	367.18	10.16	-25.28
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCC1	REAL300018072269	0	45	0.0	-31.87	342.63	10.46	-21.41
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072270	0	38	0.0	-42.09	340.35	3.97	-38.12
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=C(F)C(F)=C1	REAL300018072271	0	40	0.0	-33.75	337.46	10.96	-22.79
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300018072272	0	43	0.0	-32.04	352.33	9.84	-22.20
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072273	0	40	0.0	-32.67	336.34	9.05	-23.62
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072274	0	35	0.0	-33.50	329.76	8.15	-25.35
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072275	0	43	0.0	-36.86	352.60	11.37	-25.49
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072276	0	37	0.0	-32.21	332.31	7.86	-24.35
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072277	0	39	0.0	-29.63	341.88	10.49	-19.14
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=CC=C1[N+](=O)[O-]	REAL300018072279	0	38	0.0	-42.56	320.55	10.01	-32.55
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1Br	REAL300018072280	0	36	0.0	-33.95	325.67	10.19	-23.76
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1Cl	REAL300018072281	0	37	0.0	-35.96	331.70	8.85	-27.11
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=C(F)C(F)=C1	REAL300018072282	0	36	0.0	-30.21	315.44	9.39	-20.82
O=C([O-])C([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072283	1	40	0.0	-31.22	345.68	10.16	-21.06
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=C(F)C(F)=C1	REAL300018072284	1	32	0.0	-36.25	312.86	7.44	-28.81
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072285	0	39	0.0	-33.30	330.11	8.13	-25.17
O=C([O-])C([NH2+]CC1=NN2CCCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072286	1	40	0.0	-30.14	331.39	8.37	-21.77
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072287	0	39	0.0	-32.38	329.66	10.46	-21.92
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=C(F)C(F)=C1	REAL300018072289	0	37	0.0	-37.00	325.37	10.59	-26.41
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=C(F)C(F)=C1	REAL300018072290	1	38	0.0	-32.11	327.54	6.41	-25.70
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=C(F)C(F)=C1	REAL300018072291	0	36	0.0	-34.37	329.73	9.94	-24.43
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CN=C12	REAL300018072292	0	39	0.0	-34.11	334.45	10.03	-24.08
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN=C1Cl	REAL300018072293	0	33	0.0	-37.67	303.13	7.91	-29.76
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN=C1Br	REAL300018072294	0	33	0.0	-37.67	307.42	7.92	-29.75
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072296	0	33	0.0	-37.78	307.84	6.36	-31.42
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=C(F)C(F)=C1	REAL300018072297	0	37	0.0	-34.51	325.18	9.05	-25.46
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=C(F)C(F)=C1	REAL300018072298	0	37	0.0	-36.40	324.46	9.02	-27.38
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300018072299	1	39	0.0	-29.49	335.82	6.62	-22.87
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072300	0	36	0.0	-33.23	311.95	9.95	-23.28
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=C(F)C(F)=C1	REAL300018072301	0	35	0.0	-38.53	320.21	8.81	-29.72
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)N21	REAL300018072302	0	39	0.0	-36.81	325.93	9.93	-26.88
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072303	0	45	0.0	-34.44	372.02	9.77	-24.67
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072304	0	45	0.0	-32.91	362.33	11.05	-21.86
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072305	0	36	0.0	-35.25	326.24	10.23	-25.02
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072306	0	40	0.0	-34.02	341.23	8.74	-25.28
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072307	0	45	0.0	-27.37	345.48	8.00	-19.37
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=C(F)C(F)=C1	REAL300018072308	0	38	0.0	-38.82	335.51	9.50	-29.32
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC2=CC=CN=C12	REAL300018072309	0	41	0.0	-38.27	347.41	10.19	-28.08
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300018072310	0	45	0.0	-28.45	335.65	10.36	-18.09
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C	REAL300018072311	0	46	0.0	-34.51	381.02	10.83	-23.68
COC1=C(C)C=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300018072312	0	42	0.0	-28.21	347.40	7.77	-20.44
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072313	0	43	0.0	-29.33	360.07	10.63	-18.70
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072314	0	36	0.0	-43.24	339.25	5.69	-37.55
O=C([O-])C([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC=C(F)C(F)=C1	REAL300018072315	0	35	0.0	-36.50	330.69	8.57	-27.93
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072317	0	35	0.0	-32.69	299.15	7.24	-25.45
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CCN1CC1=CC=CC=C1	REAL300018072318	0	51	0.0	-31.87	387.38	9.64	-22.23
CC1CC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018072318	1	51	0.0	-50.68	386.01	10.75	-39.93
CC1CC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018072318	1	51	0.0	-45.32	386.86	11.39	-33.93
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072319	0	36	0.0	-35.21	322.27	10.00	-25.21
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=C(F)C(F)=C1	REAL300018072321	0	40	0.0	-31.10	331.10	10.86	-20.24
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CC=C(F)C(F)=C1	REAL300018072324	0	36	0.0	-34.24	334.29	10.04	-24.20
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=C(F)C(F)=C1	REAL300018072325	0	38	0.0	-28.38	321.22	9.23	-19.15
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072326	0	51	0.0	-35.07	422.92	13.83	-21.24
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300018072327	0	47	0.0	-33.53	385.44	10.06	-23.47
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C(SC)C=C1OC	REAL300018072328	0	45	0.0	-30.37	380.52	9.13	-21.24
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)CC2)C=C1	REAL300018072329	0	53	0.0	-33.53	406.66	9.74	-23.79
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072330	0	44	0.0	-39.50	359.77	11.46	-28.04
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC(C2=CC=CC=C2)C1	REAL300018072331	0	49	0.0	-28.92	366.95	13.00	-15.92
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC2=CC=CC=C21	REAL300018072334	0	43	0.0	-35.18	362.57	10.66	-24.52
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072335	0	39	0.0	-35.83	333.08	7.44	-28.39
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072336	0	40	0.0	-35.10	345.89	9.36	-25.74
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072337	0	43	0.0	-36.76	353.61	9.65	-27.11
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072338	0	40	0.0	-34.10	339.10	8.68	-25.42
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(F)C(F)=C1	REAL300018072339	0	42	0.0	-51.59	328.50	8.81	-42.78
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(F)C(F)=C1	REAL300018072339	1	42	0.0	-55.53	331.18	8.54	-46.99
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072340	0	49	0.0	-30.58	355.15	10.89	-19.69
CC([NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)C(C)C1=CC=CC=C1	REAL300018072341	0	42	0.0	-33.03	333.47	10.59	-22.44
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=C(F)C(F)=C1	REAL300018072342	0	41	0.0	-38.17	341.27	10.09	-28.08
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=CC=C12	REAL300018072343	0	43	0.0	-34.25	352.05	10.40	-23.85
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=C(F)C(F)=C1	REAL300018072344	0	40	0.0	-33.60	342.19	9.10	-24.50
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072345	0	41	0.0	-34.70	338.47	9.35	-25.35
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072346	0	42	0.0	-32.65	347.00	10.95	-21.70
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072348	0	44	0.0	-35.95	364.59	12.00	-23.95
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072349	0	47	0.0	-34.87	346.98	8.55	-26.32
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300018072350	0	39	0.0	-34.40	325.41	7.11	-27.29
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=C(F)C(F)=C1	REAL300018072351	0	36	0.0	-40.72	329.77	10.31	-30.41
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=C(F)C(F)=C1	REAL300018072353	0	33	0.0	-37.03	317.02	9.31	-27.72
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)NC2=CC=C1	REAL300018072354	0	40	0.0	-34.45	339.63	9.62	-24.83
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072355	0	43	0.0	-32.47	341.09	8.39	-24.08
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072356	0	33	0.0	-37.54	317.41	9.17	-28.37
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300018072357	0	46	0.0	-32.23	370.76	10.54	-21.69
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC1CC1	REAL300018072358	0	45	0.0	-37.44	375.95	9.87	-27.57
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072359	0	46	0.0	-32.67	344.15	10.56	-22.11
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072360	0	35	0.0	-37.33	317.53	8.15	-29.18
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=C(F)C(F)=C1	REAL300018072361	0	43	0.0	-31.93	338.58	11.04	-20.89
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072363	0	45	0.0	-32.45	334.42	9.79	-22.66
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=C(F)C(F)=C1	REAL300018072364	0	43	0.0	-36.20	338.33	11.02	-25.18
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)F)=N1	REAL300018072365	0	36	0.0	-38.77	318.89	7.71	-31.06
CC([NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1CCCCCC1	REAL300018072366	0	45	0.0	-30.34	330.82	10.23	-20.11
CC([NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018072367	0	45	0.0	-28.76	373.00	11.53	-17.23
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072368	0	48	0.0	-32.54	349.63	10.29	-22.25
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=C(F)C(F)=C1	REAL300018072369	0	41	0.0	-32.17	334.32	9.03	-23.14
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072370	0	40	0.0	-37.53	343.69	11.24	-26.29
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072371	0	42	0.0	-40.82	351.64	10.74	-30.08
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072372	0	38	0.0	-43.85	342.33	4.01	-39.84
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072373	0	39	0.0	-31.81	325.15	8.27	-23.54
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)NC2=C1	REAL300018072374	0	40	0.0	-35.04	340.04	9.63	-25.41
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=C(F)C(F)=C1	REAL300018072375	0	37	0.0	-33.77	313.27	7.63	-26.14
O=C([O-])C([NH2+]CC1=NN2CCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072376	1	37	0.0	-31.65	314.65	7.57	-24.08
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072378	0	49	0.0	-33.95	374.61	12.28	-21.67
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2)=C1	REAL300018072380	0	49	0.0	-34.44	403.19	13.74	-20.70
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1N1C=NC=N1	REAL300018072381	0	42	0.0	-41.36	360.55	12.54	-28.82
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072382	0	45	0.0	-33.43	335.73	10.07	-23.36
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072383	0	45	0.0	-32.40	326.08	9.56	-22.84
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC1	REAL300018072384	0	51	0.0	-33.72	367.04	10.85	-22.87
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072386	0	40	0.0	-37.18	350.54	9.55	-27.63
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=C(F)C(F)=C1	REAL300018072387	1	40	0.0	-36.33	352.02	7.36	-28.97
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(Br)=C1	REAL300018072388	1	37	0.0	-27.67	333.86	8.88	-18.79
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072389	0	40	0.0	-33.63	343.15	8.78	-24.85
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072390	0	43	0.0	-37.52	381.28	11.32	-26.20
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072392	0	44	0.0	-36.36	388.68	13.16	-23.20
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072393	0	50	0.0	-40.42	393.48	9.93	-30.49
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072394	0	39	0.0	-36.78	331.00	10.52	-26.26
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC	REAL300018072395	0	44	0.0	-36.05	361.62	8.86	-27.19
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=C(F)C(F)=C1	REAL300018072396	0	40	0.0	-30.58	325.61	10.89	-19.69
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)S1	REAL300018072397	0	33	0.0	-32.60	320.67	9.56	-23.04
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=C(F)C(F)=C1	REAL300018072398	0	36	0.0	-41.62	319.54	9.88	-31.74
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC(C)=C1	REAL300018072399	0	42	0.0	-36.73	352.42	11.16	-25.57
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1OC	REAL300018072400	0	50	0.0	-42.96	399.10	10.15	-32.81
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=N2)C=C1	REAL300018072401	0	44	0.0	-37.07	376.41	9.57	-27.50
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072402	0	39	0.0	-34.36	330.68	10.03	-24.33
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072403	0	50	0.0	-31.05	409.70	9.78	-21.27
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072404	0	42	0.0	-35.73	357.58	11.38	-24.35
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072405	0	43	0.0	-39.25	376.66	11.49	-27.76
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072406	0	46	0.0	-33.89	380.51	12.38	-21.51
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072407	0	39	0.0	-36.10	342.34	7.24	-28.86
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072408	0	39	0.0	-33.81	321.26	8.03	-25.78
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CN=C21	REAL300018072409	0	38	0.0	-39.80	331.09	8.16	-31.64
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072410	0	42	0.0	-37.03	355.50	11.23	-25.80
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072411	0	45	0.0	-32.42	361.33	11.45	-20.97
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072412	0	47	0.0	-29.40	364.97	7.18	-22.22
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072413	0	39	0.0	-40.00	333.91	8.40	-31.60
CN1CCN(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=N2)CC1	REAL300018072414	0	48	0.0	-37.64	390.16	7.31	-30.33
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072415	0	44	0.0	-35.97	376.81	12.51	-23.46
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=C(F)C(F)=C1	REAL300018072420	0	44	0.0	-33.96	338.94	8.36	-25.60
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)CO1	REAL300018072421	0	44	0.0	-36.35	350.92	8.56	-27.79
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)CO1	REAL300018072422	0	41	0.0	-38.04	332.10	7.93	-30.11
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=C(F)C(F)=C1	REAL300018072423	0	41	0.0	-34.56	332.09	9.29	-25.27
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=C(F)C(F)=C1	REAL300018072424	0	40	0.0	-36.64	330.94	10.22	-26.42
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C21	REAL300018072425	0	39	0.0	-35.75	324.57	10.25	-25.50
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072426	0	40	0.0	-30.27	327.40	8.81	-21.46
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072429	0	39	0.0	-30.48	321.65	10.34	-20.14
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072430	0	36	0.0	-36.21	315.92	9.80	-26.41
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1C	REAL300018072431	0	42	0.0	-31.32	337.64	10.78	-20.54
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=C(F)C(F)=C1	REAL300018072432	0	43	0.0	-37.13	344.19	9.46	-27.67
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC2=C1	REAL300018072433	0	40	0.0	-36.33	355.02	9.88	-26.45
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=CC=C21	REAL300018072435	0	45	0.0	-33.49	366.09	9.65	-23.84
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)CC2	REAL300018072436	0	50	0.0	-33.81	374.62	9.35	-24.46
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1Cl	REAL300018072437	0	37	0.0	-34.36	343.31	10.53	-23.83
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1C1CC1	REAL300018072438	0	43	0.0	-32.18	353.19	11.62	-20.56
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1)C2	REAL300018072439	0	47	0.0	-37.86	367.33	10.44	-27.42
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=N1	REAL300018072440	0	39	0.0	-37.94	335.11	6.64	-31.30
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1C1CC1	REAL300018072441	0	43	0.0	-32.10	355.15	11.68	-20.42
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C(C)=C2)C=C1	REAL300018072442	0	46	0.0	-39.04	378.22	11.29	-27.75
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072443	0	39	0.0	-36.43	359.30	10.94	-25.49
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072444	0	43	0.0	-38.02	375.09	11.26	-26.76
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2)C=C1Cl	REAL300018072445	0	43	0.0	-40.08	383.71	11.31	-28.77
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2C1C	REAL300018072448	0	44	0.0	-35.78	361.52	10.17	-25.61
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OC(F)F	REAL300018072449	0	40	0.0	-36.99	345.50	9.33	-27.66
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072450	0	43	0.0	-31.94	354.68	8.34	-23.60
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)NN=C1C(F)(F)F	REAL300018072451	0	36	0.0	-36.95	323.61	6.95	-30.00
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=C(F)C(F)=C1	REAL300018072452	0	43	0.0	-30.28	330.56	10.07	-20.21
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1O	REAL300018072453	0	37	0.0	-35.73	319.19	6.96	-28.77
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072456	0	38	0.0	-33.25	323.94	8.90	-24.35
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072458	0	41	0.0	-34.30	340.50	9.12	-25.18
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072459	0	41	0.0	-38.72	352.40	8.91	-29.81
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072460	0	47	0.0	-39.61	384.42	10.77	-28.84
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072461	0	37	0.0	-32.08	328.30	10.08	-22.00
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=C(F)C(F)=C1	REAL300018072462	0	40	0.0	-38.11	342.00	11.10	-27.01
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CC=C(F)C(F)=C1	REAL300018072463	0	40	0.0	-33.16	345.03	11.20	-21.96
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=C(F)C(F)=C1	REAL300018072464	0	40	0.0	-29.79	351.99	11.28	-18.51
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072465	0	41	0.0	-34.17	347.33	10.00	-24.17
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=C(F)C(F)=C1	REAL300018072466	0	37	0.0	-30.27	339.64	8.87	-21.40
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072467	0	39	0.0	-33.49	359.29	10.94	-22.55
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300018072468	0	46	0.0	-38.24	379.31	12.03	-26.21
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2)C=N1	REAL300018072469	0	46	0.0	-40.53	385.84	12.67	-27.86
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=C(F)C(F)=C1	REAL300018072470	0	47	0.0	-32.41	383.09	13.09	-19.32
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072473	0	39	0.0	-31.85	341.10	10.85	-21.00
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072474	0	43	0.0	-37.86	366.86	10.15	-27.71
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300018072475	1	39	0.0	-30.69	334.02	8.39	-22.30
CC(C)N1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=N1	REAL300018072476	1	39	0.0	-30.32	331.21	8.16	-22.16
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072477	0	44	0.0	-33.10	358.19	9.53	-23.57
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072478	1	36	0.0	-33.92	329.08	8.11	-25.81
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=C(F)C(F)=C1	REAL300018072480	0	38	0.0	-30.35	329.27	9.49	-20.86
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1C	REAL300018072481	1	39	0.0	-29.89	335.42	6.45	-23.44
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=C(F)C(F)=C1	REAL300018072482	0	36	0.0	-30.81	324.75	9.93	-20.88
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=C(F)C(F)=C1	REAL300018072483	0	41	0.0	-33.66	331.05	8.97	-24.69
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072484	0	40	0.0	-31.95	353.51	9.82	-22.13
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072486	0	42	0.0	-32.21	345.46	8.72	-23.49
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072487	0	46	0.0	-32.77	370.81	10.04	-22.73
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=C(F)C(F)=C1	REAL300018072488	0	43	0.0	-31.63	330.48	10.20	-21.43
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=CC=C1C(C)(C)C	REAL300018072489	0	49	0.0	-31.33	381.78	10.81	-20.52
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072491	0	39	0.0	-36.21	331.13	6.30	-29.91
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)=C1	REAL300018072493	0	44	0.0	-36.38	356.63	9.98	-26.40
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C2)=N1	REAL300018072494	0	38	0.0	-47.20	324.43	6.41	-40.79
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=C(F)C(F)=C1	REAL300018072495	0	44	0.0	-37.00	347.80	8.71	-28.29
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072496	0	39	0.0	-36.33	331.58	9.88	-26.45
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072497	0	40	0.0	-40.74	343.88	8.99	-31.75
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072498	0	46	0.0	-31.98	377.27	12.52	-19.46
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300018072499	0	46	0.0	-37.86	367.01	10.08	-27.78
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=NN1CC	REAL300018072500	0	42	0.0	-30.81	345.79	8.94	-21.87
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C(F)(F)F)=CO1	REAL300018072501	0	36	0.0	-27.13	327.46	8.84	-18.29
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072502	0	39	0.0	-32.59	339.37	10.53	-22.06
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072503	0	39	0.0	-38.33	349.72	9.81	-28.52
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C(C)=C1	REAL300018072504	0	49	0.0	-34.90	389.76	10.93	-23.97
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=C(F)C(F)=C1	REAL300018072505	0	46	0.0	-31.80	343.40	10.69	-21.11
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)CC2=CC=CC=C21	REAL300018072506	0	46	0.0	-36.11	348.41	11.27	-24.84
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072507	0	40	0.0	-33.86	351.74	11.43	-22.43
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CC=C1O	REAL300018072508	0	50	0.0	-39.81	402.81	9.14	-30.67
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=C(F)C(F)=C1	REAL300018072509	0	39	0.0	-32.15	343.84	11.64	-20.51
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)C=C2)=C1	REAL300018072510	0	48	0.0	-38.69	404.99	11.18	-27.51
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072511	0	48	0.0	-37.22	407.41	11.84	-25.38
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=C(F)C(F)=C1	REAL300018072512	0	37	0.0	-34.26	344.49	10.52	-23.74
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072513	0	41	0.0	-34.00	340.50	9.12	-24.88
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)SC2=CC(F)=CC=C12	REAL300018072514	0	39	0.0	-36.72	348.64	11.19	-25.53
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=C(F)C(F)=C1	REAL300018072515	0	39	0.0	-39.18	342.71	7.23	-31.95
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=C(F)C(F)=C1	REAL300018072516	0	36	0.0	-37.24	312.22	8.53	-28.71
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)N=C1	REAL300018072517	0	38	0.0	-28.94	326.01	8.64	-20.30
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1OCCO	REAL300018072518	0	45	0.0	-38.68	378.14	6.04	-32.64
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300018072519	0	38	0.0	-37.37	327.79	9.51	-27.86
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)=C2O1	REAL300018072520	0	39	0.0	-36.69	336.02	10.18	-26.51
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=C(F)C(F)=C1	REAL300018072521	0	36	0.0	-38.97	331.09	10.06	-28.91
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1F	REAL300018072522	0	43	0.0	-34.93	361.68	9.93	-25.00
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1	REAL300018072523	0	46	0.0	-32.22	372.27	10.03	-22.19
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=C(F)C(F)=C1	REAL300018072524	0	36	0.0	-36.19	316.83	7.79	-28.40
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072526	0	40	0.0	-37.17	351.41	10.28	-26.89
O=C([O-])C([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072527	1	40	0.0	-30.33	334.22	8.63	-21.70
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072528	1	36	0.0	-32.85	323.04	7.93	-24.92
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072529	1	37	0.0	-33.41	332.71	8.48	-24.93
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=C(F)C(F)=C1	REAL300018072530	0	43	0.0	-33.07	320.95	9.83	-23.24
O=C([O-])C([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072531	1	43	0.0	-29.75	353.88	9.41	-20.34
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072532	0	36	0.0	-31.77	319.93	9.40	-22.37
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072533	0	36	0.0	-34.69	330.86	9.86	-24.83
COC1=CC=CC(CN2CCC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)CC2)=C1	REAL300018072534	0	52	0.0	-33.39	408.07	8.70	-24.69
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300018072535	0	37	0.0	-33.71	317.20	10.29	-23.42
O=C([O-])C([NH2+]CC1=CN=C2C=C(Br)C=CN12)C1=CC=C(F)C(F)=C1	REAL300018072537	0	36	0.0	-34.28	334.32	10.05	-24.23
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072539	0	49	0.0	-32.48	389.97	12.87	-19.61
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072540	0	43	0.0	-32.71	353.98	9.37	-23.34
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072541	0	41	0.0	-33.73	346.18	9.68	-24.05
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=C(F)C(F)=C1	REAL300018072542	0	41	0.0	-37.98	355.98	9.37	-28.61
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072543	0	40	0.0	-40.49	350.09	8.28	-32.21
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300018072544	0	47	0.0	-29.63	350.92	7.54	-22.09
CC(C)(C)[N@@H+]1CCCC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300018072544	1	47	0.0	-46.70	347.54	8.50	-38.20
CC(C)(C)[N@H+]1CCCC(NC(C(=O)[O-])C2=CC=C(F)C(F)=C2)C1	REAL300018072544	1	47	0.0	-44.45	342.96	9.01	-35.44
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072545	0	46	0.0	-34.38	390.88	13.52	-20.86
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=C(F)C(F)=C1	REAL300018072546	0	42	0.0	-30.45	356.38	10.62	-19.83
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3=CC=C(F)C(F)=C3)CC2)C=C1	REAL300018072547	0	49	0.0	-35.32	385.53	12.56	-22.76
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072548	0	36	0.0	-35.08	316.09	9.88	-25.20
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CC=C(F)C(F)=C1	REAL300018072549	0	37	0.0	-35.95	350.11	9.41	-26.54
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=C(F)C(F)=C1	REAL300018072550	0	36	0.0	-35.24	325.01	10.43	-24.81
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072551	0	42	0.0	-36.79	355.58	10.67	-26.12
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072552	0	39	0.0	-33.81	321.26	8.03	-25.78
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC=C(F)C(F)=C1	REAL300018072553	0	41	0.0	-32.63	323.40	10.17	-22.46
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C(F)(F)F	REAL300018072554	0	39	0.0	-34.42	332.24	10.65	-23.77
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=N1	REAL300018072555	0	37	0.0	-37.69	323.32	8.22	-29.47
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=C(F)C(F)=C1	REAL300018072556	0	36	0.0	-36.23	314.34	7.77	-28.46
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=C1	REAL300018072557	0	45	0.0	-31.80	364.83	11.60	-20.20
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CC=C(F)C(F)=C1	REAL300018072558	0	44	0.0	-34.32	336.26	8.20	-26.12
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=C(F)C(F)=C1	REAL300018072560	0	43	0.0	-30.10	339.48	11.31	-18.79
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072561	0	40	0.0	-35.43	346.65	10.92	-24.51
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072562	0	39	0.0	-46.02	340.48	8.98	-37.04
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)C=CC2=CC=CC=C12	REAL300018072563	0	42	0.0	-33.24	345.06	11.80	-21.44
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072564	0	51	0.0	-34.41	409.98	10.62	-23.79
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072565	0	41	0.0	-29.67	347.10	8.42	-21.25
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CC=C(F)C(F)=C1	REAL300018072566	0	46	0.0	-35.10	373.77	6.01	-29.09
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=C1C	REAL300018072567	0	42	0.0	-32.02	348.77	8.88	-23.14
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(F)=C2)=CN=C1N1C=CC=N1	REAL300018072568	0	42	0.0	-39.46	360.24	10.40	-29.06
O=C([O-])C([NH2+]C1CCC1CC1=CC=CC=C1)C1=CC=C(F)C(F)=C1	REAL300018072569	0	43	0.0	-34.58	351.60	11.94	-22.64
CCCN1N=C(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(F)=C1	REAL300018072570	0	42	0.0	-33.48	347.93	8.89	-24.59
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300018072572	0	45	0.0	-39.42	366.46	11.67	-27.75
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC(Cl)=CC3=C2OCC3)C1	REAL300018072572	1	45	0.0	-40.77	359.18	11.70	-29.07
CC(CC1=CC=CC=C1)C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072573	0	49	0.0	-50.10	367.93	13.31	-36.79
CC(CC1=CC=CC=C1)C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072573	1	49	0.0	-43.50	369.49	13.33	-30.17
CN1C=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(C2CCCCC2)=N1	REAL300018072574	0	56	0.0	-48.68	419.32	12.90	-35.78
CN1C=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(C2CCCCC2)=N1	REAL300018072574	1	56	0.0	-48.18	421.72	12.88	-35.30
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CN(CC3=CC=CN=C3)N=N2)C1	REAL300018072575	0	48	0.0	-53.29	386.77	9.91	-43.38
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CN(CC3=CC=CN=C3)N=N2)C1	REAL300018072575	1	48	0.0	-64.82	386.92	9.90	-54.92
CCC1CCCC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300018072576	0	52	0.0	-50.30	365.79	12.68	-37.62
CCC1CCCC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300018072576	1	52	0.0	-48.38	364.35	12.62	-35.76
CC1CCCCC1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072577	0	49	0.0	-41.74	350.95	12.08	-29.66
CC1CCCCC1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072577	1	49	0.0	-42.02	347.63	11.87	-30.15
CC(C)C1=CN=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072578	0	45	0.0	-40.16	361.51	10.60	-29.56
CC(C)C1=CN=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072578	1	45	0.0	-48.78	360.82	10.58	-38.20
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300018072579	0	47	0.0	-61.51	388.90	11.99	-49.52
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=C(OCC(F)(F)F)C(F)=C2)C1	REAL300018072579	1	47	0.0	-61.49	389.66	12.05	-49.44
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC=CC2=CC=C(F)C=C2F)C1	REAL300018072580	0	44	0.0	-49.31	357.25	12.74	-36.57
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC=CC2=CC=C(F)C=C2F)C1	REAL300018072580	1	44	0.0	-50.91	357.07	12.76	-38.15
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=C(Br)C=CS2)C1	REAL300018072581	0	37	0.0	-46.72	322.58	10.96	-35.76
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=C(Br)C=CS2)C1	REAL300018072581	1	37	0.0	-40.00	316.70	10.69	-29.31
CC(C)C1=CC=C(CC[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072582	0	52	0.0	-49.95	393.72	14.00	-35.95
CC(C)C1=CC=C(CC[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072582	1	52	0.0	-46.51	394.89	14.00	-32.51
CC1=CN2C=C(C[N@@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)N=C2C=C1	REAL300018072583	0	46	0.0	-45.08	360.85	12.44	-32.64
CC1=CN2C=C(C[N@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)N=C2C=C1	REAL300018072583	1	46	0.0	-46.70	362.35	12.54	-34.16
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300018072584	0	46	0.0	-50.36	393.67	12.85	-37.51
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C1	REAL300018072584	1	46	0.0	-46.81	393.96	12.75	-34.06
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300018072585	0	44	0.0	-46.65	358.47	11.25	-35.40
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=C(F)C=CC=C2OC(F)(F)F)C1	REAL300018072585	1	44	0.0	-44.08	359.10	11.02	-33.06
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=C3OC=CC3=C2)C1	REAL300018072586	0	43	0.0	-54.29	340.64	11.66	-42.63
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=C3OC=CC3=C2)C1	REAL300018072586	1	43	0.0	-54.31	338.54	11.57	-42.74
CN(C)CC1=CN=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072587	0	47	0.0	-41.91	376.04	8.12	-33.79
CN(C)CC1=CN=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072587	1	47	0.0	-44.73	375.30	8.05	-36.68
COCC1=CC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NO1	REAL300018072588	0	43	0.0	-55.76	343.79	8.52	-47.24
COCC1=CC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NO1	REAL300018072588	1	43	0.0	-53.79	344.16	8.54	-45.25
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CCC2=CC=C(Cl)C=C2)C1	REAL300018072589	0	43	0.0	-49.38	351.40	12.59	-36.79
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CCC2=CC=C(Cl)C=C2)C1	REAL300018072589	1	43	0.0	-53.40	350.22	12.59	-40.81
CC(C)N1C=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072590	0	45	0.0	-52.19	350.43	9.13	-43.06
CC(C)N1C=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072590	1	45	0.0	-47.96	351.11	9.23	-38.73
CN(C)CC1=CC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NO1	REAL300018072591	0	47	0.0	-45.10	365.97	8.31	-36.79
CN(C)CC1=CC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NO1	REAL300018072591	1	47	0.0	-52.56	365.69	8.30	-44.26
CC1=CC=CC=C1N1C=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072592	0	49	0.0	-47.55	386.16	12.00	-35.55
CC1=CC=CC=C1N1C=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)N=N1	REAL300018072592	1	49	0.0	-56.03	386.71	12.04	-43.99
CN(C)C1=NC=CC=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072593	0	47	0.0	-38.70	361.39	10.51	-28.19
CN(C)C1=NC=CC=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072593	1	47	0.0	-44.17	361.00	10.56	-33.61
COCCOCC1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072594	0	54	0.0	-52.47	422.60	11.21	-41.26
COCCOCC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072594	1	54	0.0	-53.11	422.25	11.18	-41.93
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072595	0	48	0.0	-44.40	391.66	11.93	-32.47
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072595	1	48	0.0	-44.40	389.30	11.92	-32.48
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=C(C3CCCC3)C=C2)C1	REAL300018072596	0	53	0.0	-47.13	395.22	14.46	-32.67
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=C(C3CCCC3)C=C2)C1	REAL300018072596	1	53	0.0	-49.38	395.46	14.45	-34.93
COC1=CC=C(F)C=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072597	0	44	0.0	-48.74	341.44	10.92	-37.82
COC1=CC=C(F)C=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072597	1	44	0.0	-48.70	348.25	10.75	-37.95
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CN(CC(F)F)N=C2)C1	REAL300018072598	0	43	0.0	-48.46	351.54	10.25	-38.21
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CN(CC(F)F)N=C2)C1	REAL300018072598	1	43	0.0	-56.30	348.45	10.25	-46.05
CN1N=CC=C1C1=CC=CC=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072599	0	50	0.0	-49.90	387.40	12.19	-37.71
CN1N=CC=C1C1=CC=CC=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072599	1	50	0.0	-56.86	387.39	12.22	-44.64
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=C(C3CCC3)C=C2)C1	REAL300018072600	0	50	0.0	-47.18	376.75	13.83	-33.35
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=C(C3CCC3)C=C2)C1	REAL300018072600	1	50	0.0	-49.52	376.99	13.82	-35.70
CC1=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=CS1	REAL300018072601	0	40	0.0	-48.58	320.48	11.02	-37.56
CC1=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=CS1	REAL300018072601	1	40	0.0	-42.60	322.26	11.03	-31.57
CC1CN(C2=CC=CC=C2C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CCO1	REAL300018072602	0	56	0.0	-40.55	405.37	12.75	-27.80
CC1CN(C2=CC=CC=C2C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CCO1	REAL300018072602	1	56	0.0	-44.22	416.71	11.80	-32.42
CC1=CN=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072603	0	39	0.0	-47.79	319.49	9.28	-38.51
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COC1=CC=CC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1F	REAL300018072751	1	44	0.0	-45.15	347.28	10.64	-34.51
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CSC1(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)CCC1	REAL300018072753	1	44	0.0	-43.64	328.89	11.12	-32.52
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CN1C=C(C2=CC=C(C[N@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)S2)C=N1	REAL300018072754	1	47	0.0	-45.84	387.28	11.98	-33.86
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CC1=NN(C2=CC=CC=N2)C(C)=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072755	1	52	0.0	-51.30	402.10	12.95	-38.35
CC1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(C2=CC=NN2C)=C1	REAL300018072756	0	53	0.0	-39.22	408.86	12.86	-26.36
CC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(C2=CC=NN2C)=C1	REAL300018072756	1	53	0.0	-56.51	407.06	12.84	-43.67
CC(C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018072757	0	49	0.0	-50.62	388.18	13.47	-37.15
CC(C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018072757	1	49	0.0	-45.29	388.96	13.51	-31.78
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CC(C)N1C=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=N1	REAL300018072766	1	46	0.0	-50.16	355.85	10.45	-39.71
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COCCN1C=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=N1	REAL300018072771	0	47	0.0	-54.88	371.32	9.01	-45.87
COCCN1C=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=N1	REAL300018072771	1	47	0.0	-47.82	372.22	9.01	-38.81
CCN1N=C(C)C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072772	0	45	0.0	-45.80	347.05	8.64	-37.16
CCN1N=C(C)C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072772	1	45	0.0	-54.16	348.93	8.71	-45.45
CCN1N=NC(C)=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072773	0	45	0.0	-50.60	341.87	8.91	-41.69
CCN1N=NC(C)=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072773	1	45	0.0	-56.75	345.57	8.84	-47.91
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CCC1CCCCC1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072775	0	52	0.0	-41.38	368.00	12.66	-28.72
CCC1CCCCC1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072775	1	52	0.0	-49.54	368.17	12.72	-36.82
COCC(C)OC1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072776	0	54	0.0	-53.71	413.62	11.45	-42.26
COCC(C)OC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072776	1	54	0.0	-55.49	414.81	11.52	-43.97
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COC1=CC=C(C2=CC=CC=C2)C=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072779	0	54	0.0	-41.82	409.32	14.23	-27.59
COC1=CC=C(C2=CC=CC=C2)C=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072779	1	54	0.0	-46.14	415.61	14.08	-32.06
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CSC1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300018072781	0	41	0.0	-46.78	337.04	10.63	-36.15
CSC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)O1	REAL300018072781	1	41	0.0	-48.86	339.87	10.73	-38.13
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CN1C=C(C2=NC(C[N@@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)=CS2)C=N1	REAL300018072783	0	46	0.0	-48.01	381.59	9.86	-38.15
CN1C=C(C2=NC(C[N@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)=CS2)C=N1	REAL300018072783	1	46	0.0	-47.53	383.13	9.99	-37.54
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CC1=CC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NC=C1Br	REAL300018072786	0	42	0.0	-47.48	347.27	10.58	-36.90
CC1=CC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=NC=C1Br	REAL300018072786	1	42	0.0	-45.81	347.72	10.81	-35.00
CC(C)(C)C1=CSC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072787	0	48	0.0	-45.56	378.69	10.90	-34.66
CC(C)(C)C1=CSC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=N1	REAL300018072787	1	48	0.0	-44.38	379.20	10.82	-33.56
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O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CN=C(C3CC3)S2)C1	REAL300018072791	1	43	0.0	-48.07	349.74	10.91	-37.16
CC(C)CC1=NC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072792	0	48	0.0	-47.89	379.72	11.45	-36.44
CC(C)CC1=NC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072792	1	48	0.0	-50.09	380.09	11.29	-38.80
CC(C)C1=NC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072793	0	45	0.0	-47.77	360.84	10.59	-37.18
CC(C)C1=NC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072793	1	45	0.0	-49.48	361.85	10.63	-38.85
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CC1=CC=C(C2=NC=C(C[N@@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)S2)O1	REAL300018072798	0	46	0.0	-49.67	381.52	11.19	-38.48
CC1=CC=C(C2=NC=C(C[N@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)S2)O1	REAL300018072798	1	46	0.0	-52.45	383.49	11.27	-41.18
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CCC(C)C(C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)OC	REAL300018072904	0	49	0.0	-43.93	352.01	10.09	-33.84
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COC(C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1)C1CCOC1	REAL300018072908	1	48	0.0	-50.93	354.37	8.28	-42.65
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COC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072916	1	44	0.0	-53.05	342.65	10.61	-42.44
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COC1=CC=CC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1	REAL300018072922	0	44	0.0	-52.71	341.21	10.56	-42.15
COC1=CC=CC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1	REAL300018072922	1	44	0.0	-51.34	341.12	10.52	-40.82
CC(=CC1=CC=CC=C1)C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072923	0	47	0.0	-50.81	359.40	13.05	-37.76
CC(=CC1=CC=CC=C1)C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072923	1	47	0.0	-50.65	356.96	12.96	-37.69
CC(C)C1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072924	0	49	0.0	-48.27	372.26	13.18	-35.09
CC(C)C1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072924	1	49	0.0	-48.45	372.02	13.15	-35.30
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COC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C(OC)=C1OC	REAL300018072927	1	52	0.0	-56.86	405.57	10.52	-46.34
CCOC1=CC=CC=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072928	0	47	0.0	-41.81	356.42	11.76	-30.05
CCOC1=CC=CC=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072928	1	47	0.0	-42.62	364.59	11.61	-31.01
CCOC1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072929	0	47	0.0	-50.65	363.37	11.47	-39.18
CCOC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072929	1	47	0.0	-52.94	364.57	11.54	-41.40
COC1=CC=CC=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072930	0	44	0.0	-42.76	334.44	10.84	-31.92
COC1=CC=CC=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072930	1	44	0.0	-44.09	341.47	10.67	-33.42
CC1=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)SC=C1	REAL300018072931	0	40	0.0	-47.64	322.34	11.01	-36.63
CC1=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)SC=C1	REAL300018072931	1	40	0.0	-46.32	320.66	10.96	-35.36
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COC1=CC=C(Br)C=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072933	1	44	0.0	-47.78	363.14	11.31	-36.47
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COC1=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C2=CC=CC=C2C=C1	REAL300018072935	0	50	0.0	-39.10	381.27	12.86	-26.24
COC1=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C2=CC=CC=C2C=C1	REAL300018072935	1	50	0.0	-39.80	380.24	12.86	-26.94
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CSC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018072936	1	44	0.0	-53.32	353.36	12.33	-40.99
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CC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072942	1	40	0.0	-46.12	325.62	11.25	-34.87
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COC1=CC2=CC=C(C[N@H+]3CCC(C(=O)[O-])(C4=CC=CC=C4)C3)C=C2C=C1	REAL300018072994	1	50	0.0	-48.16	388.81	12.83	-35.33
CCCCOC1=CC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1OCC	REAL300018072995	0	60	0.0	-54.81	456.66	13.86	-40.95
CCCCOC1=CC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1OCC	REAL300018072995	1	60	0.0	-56.02	458.68	13.93	-42.09
CC1=NN(C2=CC=CC=C2)C(C)=C1C[N@@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072996	0	53	0.0	-52.20	405.22	13.23	-38.97
CC1=NN(C2=CC=CC=C2)C(C)=C1C[N@H+]1CCC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018072996	1	53	0.0	-53.45	406.33	13.21	-40.24
COC1=CC=CC(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1OC(F)F	REAL300018072997	0	48	0.0	-50.78	373.74	10.96	-39.82
COC1=CC=CC(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1OC(F)F	REAL300018072997	1	48	0.0	-54.87	381.20	11.03	-43.84
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=C(CSC(F)F)O2)C1	REAL300018072998	0	44	0.0	-48.79	374.71	11.95	-36.84
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=C(CSC(F)F)O2)C1	REAL300018072998	1	44	0.0	-54.96	372.87	11.88	-43.08
CCN(CC)C1=NC=C(C[N@@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072999	0	50	0.0	-47.42	392.73	12.03	-35.39
CCN(CC)C1=NC=C(C[N@H+]2CCC(C(=O)[O-])(C3=CC=CC=C3)C2)S1	REAL300018072999	1	50	0.0	-49.27	398.61	12.24	-37.03
O=C([O-])C1(C2=CC=CC=C2)CC[N@H+](CC2=CC=C(N3CCCCC3)C=C2)C1	REAL300018073000	0	55	0.0	-41.90	405.71	12.53	-29.37
O=C([O-])C1(C2=CC=CC=C2)CC[N@@H+](CC2=CC=C(N3CCCCC3)C=C2)C1	REAL300018073000	1	55	0.0	-49.12	404.94	12.53	-36.59
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1Br	REAL300018073862	0	40	0.0	-36.44	352.01	9.61	-26.83
COC1=CC=C(C([NH2+]C(C)CCC=C(C)C)C(=O)[O-])C=C1Br	REAL300018073864	0	46	0.0	-31.57	372.57	9.93	-21.64
COC1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1Br	REAL300018073865	0	52	0.0	-33.89	394.42	10.17	-23.72
COC1=CC=C(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1Br	REAL300018073866	0	40	0.0	-34.64	352.02	9.60	-25.04
COC1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1Br	REAL300018073867	0	41	0.0	-33.03	356.67	8.91	-24.12
COC1=CC=C(C([NH2+]C2CC(C)CC(C)C2)C(=O)[O-])C=C1Br	REAL300018073868	0	46	0.0	-33.61	365.08	9.47	-24.14
COC1=CC=C(C([NH2+]CC2=CC(C)=CC(C)=C2)C(=O)[O-])C=C1Br	REAL300018073869	0	43	0.0	-31.92	368.13	10.23	-21.69
COC1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1Br	REAL300018073871	0	49	0.0	-28.64	372.90	10.20	-18.44
COC1=CC=C(C([NH2+]CC2=CN=CN=C2)C(=O)[O-])C=C1Br	REAL300018073872	0	35	0.0	-35.65	313.00	6.85	-28.80
COC1=CC=C(C([NH2+]C2CCCC2C)C(=O)[O-])C=C1Br	REAL300018073873	0	40	0.0	-32.38	325.65	8.26	-24.12
COC1=CC=C(C([NH2+]C2CCOCC2)C(=O)[O-])C=C1Br	REAL300018073874	0	38	0.0	-32.55	315.18	5.88	-26.67
COC1=CC=C(C([NH2+]C(C)CCCC(C)C)C(=O)[O-])C=C1Br	REAL300018073875	0	48	0.0	-32.12	382.79	10.05	-22.07
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073876	0	45	0.0	-31.35	350.40	9.19	-22.16
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)S1	REAL300018073877	1	40	0.0	-29.27	357.59	9.56	-19.71
COC1=CC=C(C([NH2+]CC2=CCCOC2)C(=O)[O-])C=C1Br	REAL300018073878	0	39	0.0	-32.63	330.35	6.67	-25.96
COC1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1Br	REAL300018073879	0	42	0.0	-35.59	361.19	8.75	-26.84
COC1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1Br	REAL300018073881	0	41	0.0	-31.73	355.16	8.89	-22.84
COC1=CC=C(C([NH2+]CC2=CN=CN2C)C(=O)[O-])C=C1Br	REAL300018073882	0	37	0.0	-31.95	323.52	7.98	-23.97
COC1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1Br	REAL300018073883	0	41	0.0	-34.60	354.74	8.87	-25.73
COC1=CC=C(C([NH2+]CC2=CC(C)=NN2C)C(=O)[O-])C=C1Br	REAL300018073884	0	40	0.0	-35.17	346.55	7.02	-28.15
COC1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1Br	REAL300018073885	0	40	0.0	-31.97	349.02	9.31	-22.66
COC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1Br	REAL300018073887	0	46	0.0	-36.54	388.07	8.72	-27.82
COC1=CC=C(C([NH2+]CC2=CC=NN2C)C(=O)[O-])C=C1Br	REAL300018073888	0	37	0.0	-32.86	323.77	6.41	-26.45
COC1=CC=C(C([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])C=C1Br	REAL300018073889	0	40	0.0	-30.16	351.03	5.68	-24.48
COC1=CC=C(C([NH2+]C(C)CN2C=NC=N2)C(=O)[O-])C=C1Br	REAL300018073891	0	39	0.0	-44.98	338.49	9.03	-35.95
COC1=CC=C(C([NH2+]CC2=CN=C(C)N=C2)C(=O)[O-])C=C1Br	REAL300018073892	0	38	0.0	-35.66	334.84	6.82	-28.84
COC1=CC=C(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1Br	REAL300018073894	0	40	0.0	-34.51	352.15	9.34	-25.17
COC1=CC=C(C([NH2+]C2CCC(F)(F)CC2)C(=O)[O-])C=C1Br	REAL300018073898	0	40	0.0	-34.00	335.05	8.37	-25.63
COC1=CC=C(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1Br	REAL300018073899	0	49	0.0	-55.47	389.26	9.29	-46.18
COC1=CC=C(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1Br	REAL300018073900	0	51	0.0	-52.55	397.64	9.18	-43.37
COC1=CC=C(C([NH2+]CC2=C(C)SC(C)=C2)C(=O)[O-])C=C1Br	REAL300018073901	0	40	0.0	-30.82	352.47	9.36	-21.46
COC1=CC=C(C([NH2+]C(C)C2CCCC2)C(=O)[O-])C=C1Br	REAL300018073902	0	43	0.0	-30.29	338.79	8.85	-21.44
COC1=CC=C(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1Br	REAL300018073903	0	51	0.0	-52.43	391.41	8.57	-43.86
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073904	0	43	0.0	-32.08	342.07	8.98	-23.10
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073906	0	40	0.0	-27.65	334.70	6.53	-21.12
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073907	0	43	0.0	-30.92	344.40	8.84	-22.08
COC1=CC=C(C([NH2+]CC2=NN(C)C=C2)C(=O)[O-])C=C1Br	REAL300018073908	1	37	0.0	-36.49	328.18	6.61	-29.88
COC1=CC=C(C([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1Br	REAL300018073909	0	40	0.0	-37.11	352.18	7.51	-29.60
COC1=CC=C(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])C=C1Br	REAL300018073911	0	40	0.0	-29.52	345.85	9.12	-20.40
COC1=CC=C(C([NH2+]CC2=CC=CN=C2C)C(=O)[O-])C=C1Br	REAL300018073913	0	39	0.0	-32.66	335.20	7.70	-24.96
COC1=CC=C(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])C=C1Br	REAL300018073914	0	46	0.0	-33.83	381.46	9.64	-24.19
COC1=CC=C(C([NH2+]CC2=CN=C(N(C)C)N2C)C(=O)[O-])C=C1Br	REAL300018073915	0	45	0.0	-35.55	382.64	7.95	-27.60
COC1=CC=C(C([NH2+]C(C)COC(C)C)C(=O)[O-])C=C1Br	REAL300018073916	0	43	0.0	-27.87	356.26	7.34	-20.53
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073917	0	46	0.0	-27.39	370.26	7.56	-19.83
COC1=CC=C(C([NH2+]C2CCCOC2)C(=O)[O-])C=C1Br	REAL300018073918	0	38	0.0	-37.08	315.13	5.90	-31.18
COC1=CC=C(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1Br	REAL300018073919	0	49	0.0	-34.26	380.31	10.11	-24.15
COC1=CC=C(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1Br	REAL300018073920	0	44	0.0	-31.99	370.86	10.81	-21.18
COC1=CC=C(C([NH2+]C(C)CC2=CC=CC=C2C)C(=O)[O-])C=C1Br	REAL300018073921	0	46	0.0	-30.73	370.81	10.55	-20.18
COC1=CC=C(C([NH2+]C(C)CC2=CC=CC(C)=C2)C(=O)[O-])C=C1Br	REAL300018073922	0	46	0.0	-29.10	376.52	10.80	-18.30
COC1=CC=C(C([NH2+]CCC2CCOCC2)C(=O)[O-])C=C1Br	REAL300018073924	0	44	0.0	-35.77	358.73	7.46	-28.31
COC1=CC=C(C([NH2+]CC2CCSCC2)C(=O)[O-])C=C1Br	REAL300018073925	0	41	0.0	-33.89	344.59	8.92	-24.97
COC1=CC=C(C([NH2+]CC2CCCCCC2)C(=O)[O-])C=C1Br	REAL300018073926	0	46	0.0	-30.93	355.76	9.59	-21.34
COC1=CC=C(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1Br	REAL300018073927	0	36	0.0	-34.10	328.91	7.50	-26.60
COC1=CC=C(C([NH2+]CC2=NN(C)C(C)=C2)C(=O)[O-])C=C1Br	REAL300018073928	1	40	0.0	-30.77	347.68	7.07	-23.70
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)C=N1	REAL300018073929	0	41	0.0	-36.33	358.25	7.49	-28.84
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073931	0	40	0.0	-36.09	347.29	8.96	-27.13
COC1=CC=C(C([NH2+]CC2=CN=C(C)N2C)C(=O)[O-])C=C1Br	REAL300018073932	0	40	0.0	-32.68	346.24	7.89	-24.79
COC1=CC=C(C([NH2+]CC2=CN=C3CCCN23)C(=O)[O-])C=C1Br	REAL300018073933	0	41	0.0	-34.53	351.31	8.47	-26.06
COC1=CC=C(C([NH2+]CC2=CC=C(F)C=N2)C(=O)[O-])C=C1Br	REAL300018073934	0	36	0.0	-29.23	325.38	7.11	-22.12
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=C1	REAL300018073936	0	41	0.0	-34.30	359.91	8.24	-26.06
COC1=CC=C(C([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])C=C1Br	REAL300018073937	0	41	0.0	-38.52	350.99	6.49	-32.03
COC1=CC=C(C([NH2+]CC2=C(C)OC=C2)C(=O)[O-])C=C1Br	REAL300018073939	0	37	0.0	-33.58	325.16	7.69	-25.89
COC1=CC=C(C([NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1Br	REAL300018073940	0	40	0.0	-32.14	355.89	9.91	-22.23
COC1=CC=C(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])C=C1Br	REAL300018073941	0	40	0.0	-37.93	361.61	10.13	-27.80
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)CCO1	REAL300018073943	0	44	0.0	-31.31	356.85	7.46	-23.85
COC1=CC=C(C([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])C=C1Br	REAL300018073944	0	47	0.0	-32.22	374.32	8.02	-24.20
COC1=CC=C(C([NH2+]C(C)CC(C)CC(C)C)C(=O)[O-])C=C1Br	REAL300018073945	0	51	0.0	-31.83	394.86	10.19	-21.64
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073946	0	40	0.0	-33.71	333.27	8.47	-25.24
COC1=CC=C(C([NH2+]CC(C)C2=CC=C(C)C=C2)C(=O)[O-])C=C1Br	REAL300018073947	0	46	0.0	-34.09	381.42	10.83	-23.26
COC1=CC=C(C([NH2+]CC(C)C2CCCCC2)C(=O)[O-])C=C1Br	REAL300018073949	0	49	0.0	-33.17	381.16	10.33	-22.84
COC1=CC=C(C([NH2+]CC2=CC=C(C)C=C2OC)C(=O)[O-])C=C1Br	REAL300018073952	0	44	0.0	-32.93	374.87	8.92	-24.01
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)S1	REAL300018073954	0	43	0.0	-29.24	379.09	10.33	-18.91
COC1=CC=C(C([NH2+]CC2=CC=C(C)C=N2)C(=O)[O-])C=C1Br	REAL300018073955	0	39	0.0	-36.00	341.72	7.72	-28.28
COC1=CC=C(C([NH2+]CC2=CSC(C)=C2)C(=O)[O-])C=C1Br	REAL300018073958	0	37	0.0	-32.24	337.19	8.65	-23.59
COC1=CC=C(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1Br	REAL300018073959	0	40	0.0	-30.02	352.64	9.23	-20.79
COC1=CC=C(C([NH2+]C2CSCC2C)C(=O)[O-])C=C1Br	REAL300018073960	0	38	0.0	-33.09	320.86	8.40	-24.69
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073961	0	43	0.0	-33.32	369.23	8.02	-25.30
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=C1	REAL300018073963	0	43	0.0	-32.09	366.87	10.30	-21.79
COC1=CC=C(C([NH2+]CC2=NC=CN=C2C)C(=O)[O-])C=C1Br	REAL300018073965	1	38	0.0	-30.58	332.09	5.71	-24.87
COC1=CC=C(C([NH2+]C2CCC3(CC3)CC2)C(=O)[O-])C=C1Br	REAL300018073966	0	44	0.0	-31.92	354.83	9.57	-22.35
COC1=CC=C(C([NH2+]C2C[C@@H]3CC[C@@H](C3)C2)C(=O)[O-])C=C1Br	REAL300018073967	0	44	0.0	-27.66	326.46	9.66	-18.00
COC1=CC=C(C([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])C=C1Br	REAL300018073969	0	37	0.0	-36.66	340.33	7.74	-28.92
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=N1	REAL300018073971	0	43	0.0	-29.05	373.02	6.46	-22.59
COC1=CC=C(C([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])C=C1Br	REAL300018073972	0	40	0.0	-32.60	349.16	9.79	-22.81
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073973	0	49	0.0	-32.68	399.53	10.89	-21.79
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073974	0	46	0.0	-32.22	378.03	10.11	-22.11
COC1=CC=C(C([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])C=C1Br	REAL300018073975	0	40	0.0	-34.82	363.44	10.07	-24.75
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)C=C1	REAL300018073976	0	44	0.0	-34.62	380.37	8.64	-25.98
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Br)=C1	REAL300018073977	0	49	0.0	-27.16	382.66	7.84	-19.32
COC1=CC=C(C([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])C=C1Br	REAL300018073978	0	49	0.0	-28.35	372.86	10.20	-18.15
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)C1	REAL300018073980	0	46	0.0	-28.39	356.05	9.72	-18.67
COC1=CC=C(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])C=C1Br	REAL300018073981	0	39	0.0	-31.94	336.35	7.08	-24.86
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1Br	REAL300018073982	0	44	0.0	-30.54	368.31	10.71	-19.83
COC1=CC=C(C([NH2+]CC2=C(C)N(C)N=C2)C(=O)[O-])C=C1Br	REAL300018073985	0	40	0.0	-31.91	342.66	7.10	-24.81
COC1=CC=C(C([NH2+]C2CC3CCC(C3)C2)C(=O)[O-])C=C1Br	REAL300018073986	0	44	0.0	-29.08	327.48	9.74	-19.34
COC1=CC=C(C([NH2+]C2CC(C(C)(C)C)C2)C(=O)[O-])C=C1Br	REAL300018073988	0	46	0.0	-34.22	359.03	9.13	-25.09
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)=C1	REAL300018073989	0	43	0.0	-35.52	371.61	7.31	-28.21
COC1=CC=C(C([NH2+]CC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1Br	REAL300018073990	0	44	0.0	-33.70	376.31	8.52	-25.18
COC1=CC=C(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1Br	REAL300018073991	0	46	0.0	-45.26	354.73	8.29	-36.97
COC1=CC=C(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1Br	REAL300018073991	1	46	0.0	-58.71	363.91	8.60	-50.11
COC1=CC=C(C([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])C=C1Br	REAL300018073992	0	46	0.0	-32.51	370.66	10.43	-22.08
COC1=CC=C(C([NH2+]CC2=CC=NN2CC2CC2)C(=O)[O-])C=C1Br	REAL300018073993	0	44	0.0	-32.00	376.67	8.86	-23.14
COC1=CC=C(C([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])C=C1Br	REAL300018073994	0	45	0.0	-34.20	375.68	9.19	-25.01
COC1=CC=C(C([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])C=C1Br	REAL300018073995	0	46	0.0	-32.26	384.21	10.79	-21.47
COC1=CC=C(C([NH2+]CC2=CN=CC(OC)=C2C)C(=O)[O-])C=C1Br	REAL300018073997	0	43	0.0	-33.62	362.62	6.95	-26.67
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Br)=C2)CC1	REAL300018074000	0	47	0.0	-35.44	377.73	8.22	-27.22
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1F	REAL300018077811	0	39	0.0	-31.18	327.52	10.32	-20.86
CC1=CC(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300018077813	0	51	0.0	-31.64	370.64	10.88	-20.76
CC1=CC(C([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])=CC=C1F	REAL300018077814	0	43	0.0	-35.71	360.58	11.78	-23.93
CC1=CC(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])=CC=C1F	REAL300018077815	0	49	0.0	-36.28	390.87	11.80	-24.48
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C(Cl)=C1OC	REAL300018077816	0	44	0.0	-28.43	374.81	9.36	-19.07
CC1=CC(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=CC=C1F	REAL300018077817	0	43	0.0	-32.71	369.49	12.26	-20.45
CC1=CC(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=CC=C1F	REAL300018077818	1	39	0.0	-33.50	337.58	11.12	-22.38
CC1=CC(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300018077819	0	46	0.0	-32.87	370.08	10.46	-22.41
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077820	0	58	0.0	-31.88	459.65	13.76	-18.12
CC1=CC(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300018077821	0	57	0.0	-32.67	433.78	13.97	-18.70
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC=C1F	REAL300018077822	0	39	0.0	-33.54	328.85	10.34	-23.20
CC1=CC(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=CC=C1F	REAL300018077823	0	40	0.0	-31.72	333.47	9.64	-22.08
CC1=CC(C([NH2+]CC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])=CC=C1F	REAL300018077824	1	35	0.0	-42.87	320.85	9.41	-33.46
CC1=CC(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300018077825	0	48	0.0	-30.92	383.27	12.33	-18.59
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(C)=C3)=C2)C=C1	REAL300018077826	0	49	0.0	-33.52	397.74	13.72	-19.80
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC(C)=C1	REAL300018077827	0	42	0.0	-30.54	343.61	10.93	-19.61
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077828	0	40	0.0	-26.86	345.69	9.48	-17.38
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1[N+](=O)[O-]	REAL300018077829	0	42	0.0	-39.05	357.64	10.38	-28.67
CC1=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300018077830	0	36	0.0	-32.62	334.26	10.62	-22.00
CC1=CC(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])=CC=C1F	REAL300018077831	0	49	0.0	-33.69	398.19	13.72	-19.97
CC1=CC(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300018077832	0	40	0.0	-35.50	341.38	9.22	-26.28
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1OCC	REAL300018077833	0	50	0.0	-35.17	402.66	10.62	-24.55
CC1=CC(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300018077834	0	48	0.0	-28.26	349.69	10.93	-17.33
CC1=CC(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300018077835	0	39	0.0	-38.58	354.02	11.05	-27.53
CC1=CC(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])=CC=C1F	REAL300018077836	0	36	0.0	-32.12	319.63	10.11	-22.01
CC1=CC(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])=CC=C1F	REAL300018077837	0	39	0.0	-39.36	340.41	8.71	-30.65
CC1=CC(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])=CC=C1F	REAL300018077838	0	41	0.0	-33.40	338.56	9.90	-23.50
CC1=CC(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300018077839	0	40	0.0	-34.71	346.80	9.40	-25.31
CC1=CC(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])=CC=C1F	REAL300018077840	0	42	0.0	-40.71	362.82	7.16	-33.55
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077841	0	50	0.0	-33.06	409.00	12.67	-20.39
CC1=CC(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300018077842	0	49	0.0	-32.22	391.69	10.99	-21.23
CC1=CC(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=CC=C1F	REAL300018077843	0	43	0.0	-34.75	357.73	11.72	-23.03
CC1=CC(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])=CC=C1F	REAL300018077844	0	46	0.0	-33.85	393.05	13.58	-20.27
CC1=CC(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])=CC=C1F	REAL300018077845	0	46	0.0	-33.91	393.06	13.57	-20.34
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)S1	REAL300018077846	1	39	0.0	-28.42	334.38	10.29	-18.13
CC1=CC(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=CC=C1F	REAL300018077848	0	41	0.0	-33.89	336.69	9.46	-24.43
CC1=CC(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300018077849	0	33	0.0	-31.12	313.78	9.32	-21.80
CC1=CC(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077850	0	47	0.0	-34.65	374.73	9.52	-25.13
CC1=CC(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])=CC=C1F	REAL300018077851	0	44	0.0	-39.85	374.39	6.32	-33.53
CC1=CC(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=CC=C1F	REAL300018077852	0	40	0.0	-30.54	333.29	9.66	-20.88
CC1=CC(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=CC=C1F	REAL300018077853	0	40	0.0	-33.61	331.57	9.61	-24.00
CC1=CC(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])=CC=C1F	REAL300018077854	0	39	0.0	-29.92	327.10	10.06	-19.86
CC1=CC(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])=CC=C1F	REAL300018077855	0	39	0.0	-39.90	340.37	8.70	-31.20
CC1=CC(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])=CC=C1F	REAL300018077856	0	50	0.0	-33.19	391.42	11.43	-21.76
CC1=CC(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300018077857	0	51	0.0	-30.65	375.31	12.42	-18.23
CC1=CC(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=CC=C1F	REAL300018077858	0	45	0.0	-34.00	371.35	11.28	-22.72
CC1=CC(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])=CC=C1F	REAL300018077859	0	45	0.0	-35.14	371.54	11.30	-23.84
CC1=CC(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])=CC=C1F	REAL300018077860	1	53	0.0	-32.31	411.34	8.35	-23.96
CC1=CC(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])=CC=C1F	REAL300018077861	0	45	0.0	-36.65	383.45	8.13	-28.52
CC1=CC(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])=CC=C1F	REAL300018077862	0	46	0.0	-36.68	361.90	7.46	-29.22
CC1=CC(C([NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])=CC=C1F	REAL300018077863	0	51	0.0	-32.03	410.11	10.69	-21.34
CC1=CC(C([NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C(=O)[O-])=CC=C1F	REAL300018077864	0	51	0.0	-30.95	408.66	10.62	-20.33
CC1=CC(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])=CC=C1F	REAL300018077865	0	50	0.0	-32.82	388.69	8.14	-24.68
CC1=CC(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077866	0	43	0.0	-37.96	366.04	10.89	-27.07
CC1=CC(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077867	0	43	0.0	-37.69	377.68	11.37	-26.32
CC1=CC(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=CC=C1F	REAL300018077868	0	45	0.0	-35.27	364.88	9.46	-25.81
CC1=CC(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])=CC=C1F	REAL300018077869	0	43	0.0	-34.35	371.73	10.30	-24.05
CC1=CC(C([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=CC=C1F	REAL300018077871	1	43	0.0	-34.94	384.78	12.87	-22.07
CC1=CC(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077872	0	46	0.0	-35.54	369.82	9.49	-26.05
CC1=CC(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])=CC=C1F	REAL300018077873	0	49	0.0	-35.37	406.95	11.12	-24.25
CC1=CC(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])=CC=C1F	REAL300018077874	0	49	0.0	-33.30	404.23	11.17	-22.13
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077876	0	47	0.0	-32.53	387.10	9.14	-23.39
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1Cl	REAL300018077877	0	40	0.0	-36.35	346.33	9.46	-26.89
CC1=CC(C([NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C(=O)[O-])=CC=C1F	REAL300018077878	0	42	0.0	-34.21	381.01	11.20	-23.01
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077880	0	39	0.0	-28.19	347.85	6.98	-21.21
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077881	0	39	0.0	-28.36	327.85	6.41	-21.95
CC1=CC(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])=CC=C1F	REAL300018077882	0	35	0.0	-36.03	318.41	8.41	-27.62
CC1=CC(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])=CC=C1F	REAL300018077884	0	41	0.0	-33.45	332.79	9.74	-23.71
CC1=CC(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300018077885	0	43	0.0	-36.94	373.05	10.33	-26.61
CC1=CC(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])=CC=C1F	REAL300018077886	0	42	0.0	-33.71	344.98	8.85	-24.86
CC1=CC(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])=CC=C1F	REAL300018077887	0	45	0.0	-33.18	362.39	9.59	-23.59
CC1=CC(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])=CC=C1F	REAL300018077888	0	43	0.0	-34.90	357.99	11.78	-23.12
CC1=CC(C([NH2+]C2CC(C3=CC=CC(Br)=C3)C2)C(=O)[O-])=CC=C1F	REAL300018077889	0	43	0.0	-34.87	362.55	11.88	-22.99
CC1=CC(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])=CC=C1F	REAL300018077890	0	43	0.0	-31.09	354.88	11.69	-19.40
CC1=CC(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077891	0	44	0.0	-36.85	371.28	10.92	-25.93
CC1=CC(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])=CC=C1F	REAL300018077892	0	47	0.0	-37.17	380.27	8.02	-29.15
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077893	0	46	0.0	-30.10	373.05	10.61	-19.49
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077894	0	45	0.0	-33.31	379.43	11.16	-22.15
CC1=CC(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=CC=C1F	REAL300018077895	1	43	0.0	-30.79	366.84	12.19	-18.60
CC1=CC(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])=CC=C1F	REAL300018077896	0	43	0.0	-36.42	378.83	12.42	-24.00
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(C)=C3)C=NC2=NN1	REAL300018077897	0	41	0.0	-45.53	345.18	8.15	-37.38
CC1=CC(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])=CC=C1F	REAL300018077898	0	50	0.0	-33.52	394.89	11.81	-21.71
CC1=CC(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])=CC=C1F	REAL300018077900	0	39	0.0	-32.70	327.63	10.04	-22.66
CC1=CC(C([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])=CC=C1F	REAL300018077902	0	46	0.0	-32.28	371.40	10.49	-21.79
CC1=CC(C([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(=O)[O-])=CC=C1F	REAL300018077906	0	50	0.0	-34.51	417.11	13.09	-21.42
CC1=CC(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])=CC=C1F	REAL300018077909	0	45	0.0	-35.63	365.37	11.82	-23.81
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077910	0	48	0.0	-32.05	378.47	12.35	-19.70
CC1=CC(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])=CC=C1F	REAL300018077911	0	48	0.0	-36.23	397.69	12.74	-23.49
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077912	0	48	0.0	-33.11	375.60	12.33	-20.78
CC1=CC(C([NH2+]C2CCC(F)(F)CC2)C(=O)[O-])=CC=C1F	REAL300018077913	0	39	0.0	-32.63	311.38	9.12	-23.51
CC1=CC(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])=CC=C1F	REAL300018077914	0	51	0.0	-31.38	398.32	10.29	-21.09
CC1=CC(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=CC=C1F	REAL300018077915	0	48	0.0	-54.01	366.05	10.03	-43.98
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077916	0	59	0.0	-34.64	461.22	13.96	-20.68
CC1=CC(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=CC=C1F	REAL300018077919	1	43	0.0	-35.86	374.46	12.43	-23.43
CC1=CC(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])=CC=C1F	REAL300018077920	0	48	0.0	-35.65	377.77	9.95	-25.70
CC1=CC(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])=CC=C1F	REAL300018077921	0	40	0.0	-38.91	338.16	8.05	-30.86
CC1=CC(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=CC=C1F	REAL300018077922	1	39	0.0	-37.40	344.49	10.62	-26.78
CC1=CC(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300018077924	0	50	0.0	-50.95	374.47	9.92	-41.03
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C(C)S1	REAL300018077925	0	39	0.0	-28.77	329.34	10.11	-18.66
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(F)C(C)=C3)S2)C=C1	REAL300018077926	1	46	0.0	-33.51	390.04	13.06	-20.45
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077927	0	40	0.0	-31.11	364.43	10.08	-21.03
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077928	0	42	0.0	-34.34	359.26	10.42	-23.92
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1OC	REAL300018077929	0	51	0.0	-36.74	415.88	9.70	-27.04
CC1=CC(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])=CC=C1F	REAL300018077930	0	50	0.0	-33.52	388.23	8.41	-25.11
CC1=CC(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=CC=C1F	REAL300018077931	0	50	0.0	-50.52	368.08	9.35	-41.17
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC=C1SC	REAL300018077932	0	44	0.0	-35.46	371.03	9.99	-25.47
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC=C1OC	REAL300018077933	0	53	0.0	-34.42	421.40	11.17	-23.25
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC=C1OC	REAL300018077934	0	51	0.0	-35.28	414.70	11.10	-24.18
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1OCCC(C)C	REAL300018077935	0	56	0.0	-34.42	443.28	11.86	-22.56
CC1=CC(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])=CC=C1F	REAL300018077936	0	57	0.0	-32.99	421.54	5.67	-27.32
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC=C1OC	REAL300018077937	0	50	0.0	-34.31	403.79	9.79	-24.52
CC1=CC(C([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])=CC=C1F	REAL300018077938	0	43	0.0	-35.38	361.51	9.56	-25.82
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077939	0	48	0.0	-33.84	374.96	12.31	-21.53
CC1=CC(C([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])=CC=C1F	REAL300018077942	0	48	0.0	-37.20	392.93	12.65	-24.55
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1Cl	REAL300018077943	0	44	0.0	-36.71	382.41	11.00	-25.71
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C2OC(C)CC2=C1	REAL300018077945	0	48	0.0	-33.19	387.21	9.49	-23.70
CC1=CC(C([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])=CC=C1F	REAL300018077947	0	39	0.0	-34.76	327.68	8.23	-26.53
CC1=CC(C([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])=CC=C1F	REAL300018077948	0	44	0.0	-33.05	363.03	9.19	-23.86
CC1=CC(C([NH2+]CC2=NC=CN2CC(F)(F)F)C(=O)[O-])=CC=C1F	REAL300018077949	1	39	0.0	-31.40	339.60	9.12	-22.28
CC1=CC(C(NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])=CC=C1F	REAL300018077950	1	57	0.0	-50.87	407.61	11.45	-39.42
CC1=CC(C([NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C(=O)[O-])=CC=C1F	REAL300018077951	0	51	0.0	-37.80	410.08	13.37	-24.43
CC1=CC(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])=CC=C1F	REAL300018077952	0	47	0.0	-33.28	378.22	10.86	-22.42
CC1=CC(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])=CC=C1F	REAL300018077955	0	39	0.0	-30.18	326.89	9.88	-20.30
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=CC(C(F)(F)F)=C1	REAL300018077956	0	43	0.0	-33.34	369.03	9.90	-23.44
CC1=CC(C([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])=CC=C1F	REAL300018077957	0	36	0.0	-32.68	335.20	10.69	-21.99
CC1=CC(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])=CC=C1F	REAL300018077958	0	45	0.0	-32.43	358.28	10.38	-22.05
CC1=CC(C([NH2+]CC2=CN=C(N(C)C)N2C)C(=O)[O-])=CC=C1F	REAL300018077959	0	44	0.0	-34.41	359.43	8.68	-25.73
CC1=CC(C([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])=CC=C1F	REAL300018077961	0	49	0.0	-32.17	395.08	11.36	-20.81
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1	REAL300018077962	0	47	0.0	-34.44	387.10	9.14	-25.30
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077963	0	45	0.0	-38.02	386.13	12.51	-25.51
CC1=CC(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])=CC=C1F	REAL300018077964	0	48	0.0	-31.49	357.11	10.84	-20.65
CC1=CC(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300018077965	0	40	0.0	-36.11	357.41	9.76	-26.35
CC1=CC(C([NH2+]CC2=CC=C(N(C)C)C=C2C)C(=O)[O-])=CC=C1F	REAL300018077966	0	47	0.0	-29.88	366.11	10.57	-19.31
CC1=CC(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])=CC=C1F	REAL300018077967	0	43	0.0	-31.19	346.31	11.52	-19.67
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1	REAL300018077968	0	45	0.0	-33.81	351.49	11.35	-22.46
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077969	0	45	0.0	-28.85	354.07	11.57	-17.28
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(F)C(C)=C1)OCO2	REAL300018077970	0	43	0.0	-31.73	356.27	7.65	-24.08
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1OC	REAL300018077971	0	44	0.0	-28.77	372.68	9.31	-19.46
CC1=CC(C([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])=CC=C1F	REAL300018077973	0	49	0.0	-33.35	393.76	11.33	-22.02
CC1=CC(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])=CC=C1F	REAL300018077974	0	42	0.0	-32.27	348.64	11.81	-20.46
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1OC	REAL300018077975	0	48	0.0	-37.07	415.58	11.01	-26.06
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=C1CN1C=CC=N1	REAL300018077976	0	50	0.0	-37.53	413.02	10.60	-26.93
CC1=CC(C([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=CC=C1F	REAL300018077977	0	47	0.0	-33.68	379.41	10.85	-22.83
CC1=CC(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])=CC=C1F	REAL300018077979	1	35	0.0	-32.19	308.25	8.33	-23.86
CC1=CC(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])=CC=C1F	REAL300018077980	0	35	0.0	-33.01	306.27	8.26	-24.75
CC1=CC(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])=CC=C1F	REAL300018077981	0	36	0.0	-33.51	329.83	10.32	-23.19
CC1=CC(C([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])=CC=C1F	REAL300018077982	0	42	0.0	-28.53	347.35	11.76	-16.77
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C=N1	REAL300018077983	0	40	0.0	-35.21	335.08	8.23	-26.98
CC1=CC(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])=CC=C1F	REAL300018077984	0	43	0.0	-32.53	360.54	10.84	-21.69
CC1=CC(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])=CC=C1F	REAL300018077985	0	41	0.0	-35.18	341.80	10.09	-25.09
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077986	0	36	0.0	-29.76	333.60	10.08	-19.68
CC1=CC(C([NH2+]CC2=CN=C3CCCN23)C(=O)[O-])=CC=C1F	REAL300018077988	0	40	0.0	-32.68	326.80	9.19	-23.49
CC1=CC(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])=CC=C1F	REAL300018077989	0	44	0.0	-45.26	355.74	5.45	-39.81
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)=C1	REAL300018077990	0	40	0.0	-33.45	336.71	8.98	-24.47
CC1=CC(C([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])=CC=C1F	REAL300018077991	0	40	0.0	-29.66	320.39	7.95	-21.71
CC1=CC(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=CC=C1F	REAL300018077992	0	46	0.0	-34.47	372.43	9.56	-24.91
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)CC1	REAL300018077993	0	52	0.0	-33.20	397.90	9.53	-23.67
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(F)C(C)=C2)C(Cl)=C1	REAL300018077994	0	39	0.0	-31.28	335.31	10.74	-20.54
CC1=CC(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300018077995	0	38	0.0	-43.07	342.79	10.68	-32.39
CC1=CC(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])=CC=C1F	REAL300018077996	0	39	0.0	-38.34	340.36	10.93	-27.41
CC1=CC(C([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])=CC=C1F	REAL300018077997	0	49	0.0	-34.20	407.42	11.51	-22.69
CC1=CC(C([NH2+]C(C)CC2=CC=C(F)C=C2Br)C(=O)[O-])=CC=C1F	REAL300018077998	0	42	0.0	-28.13	349.36	11.88	-16.25
CC1=CC(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])=CC=C1F	REAL300018078000	0	41	0.0	-31.87	357.26	10.64	-21.23
CC1=CC=C(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1C	REAL300018078870	0	42	0.0	-33.38	338.60	10.80	-22.58
CC1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1C	REAL300018078872	0	54	0.0	-31.27	382.92	11.42	-19.85
CC1=CC=C(C([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])C=C1C	REAL300018078873	0	46	0.0	-34.14	370.98	12.24	-21.90
CC1=CC=C(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1C	REAL300018078874	0	52	0.0	-35.63	402.55	12.31	-23.32
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C(Cl)=C1OC	REAL300018078875	0	47	0.0	-27.79	386.49	9.86	-17.93
CC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1C	REAL300018078876	1	46	0.0	-32.43	379.87	12.73	-19.70
CC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1C	REAL300018078877	0	42	0.0	-28.90	349.89	11.65	-17.25
CC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])C=C1C	REAL300018078878	0	49	0.0	-31.29	383.08	10.99	-20.30
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300018078879	0	61	0.0	-31.18	472.66	14.30	-16.88
CC1=CC=C(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1C	REAL300018078880	0	60	0.0	-31.32	446.78	14.49	-16.83
CC1=CC=C(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1C	REAL300018078881	0	42	0.0	-31.68	338.61	10.79	-20.89
CC1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1C	REAL300018078882	0	43	0.0	-30.81	345.18	10.15	-20.66
CC1=CC=C(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])C=C1C	REAL300018078884	0	51	0.0	-29.66	393.66	12.80	-16.86
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C)C(C)=C3)=C2)C=C1	REAL300018078885	0	52	0.0	-31.98	407.50	14.17	-17.81
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300018078886	0	43	0.0	-26.59	357.40	9.99	-16.60
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1[N+](=O)[O-]	REAL300018078887	0	45	0.0	-45.90	369.33	10.88	-35.02
CC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1C	REAL300018078888	0	39	0.0	-31.66	347.27	11.16	-20.50
CC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])C=C1C	REAL300018078889	0	52	0.0	-30.71	409.86	14.23	-16.48
CC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1C	REAL300018078890	0	43	0.0	-32.22	351.14	9.67	-22.55
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1OCC	REAL300018078891	0	53	0.0	-34.57	416.26	11.18	-23.39
CC1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1C	REAL300018078892	0	51	0.0	-27.73	361.41	11.44	-16.29
CC1=CC=C(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300018078893	0	42	0.0	-32.81	365.70	11.56	-21.25
CC1=CC=C(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1C	REAL300018078894	0	39	0.0	-31.12	331.35	10.61	-20.51
CC1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1C	REAL300018078895	0	42	0.0	-37.70	352.10	9.22	-28.48
CC1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1C	REAL300018078896	0	44	0.0	-32.12	350.24	10.40	-21.72
CC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300018078897	0	43	0.0	-30.23	357.88	9.88	-20.35
CC1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1C	REAL300018078898	0	45	0.0	-39.12	373.18	7.64	-31.48
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300018078899	0	53	0.0	-33.53	422.01	13.21	-20.32
CC1=CC=C(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300018078900	0	52	0.0	-31.54	403.38	11.50	-20.04
CC1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1C	REAL300018078901	0	46	0.0	-33.68	369.44	12.22	-21.46
CC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])C=C1C	REAL300018078902	0	49	0.0	-32.14	402.82	14.02	-18.12
CC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])C=C1C	REAL300018078903	0	49	0.0	-32.09	402.82	14.01	-18.08
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300018078904	0	42	0.0	-27.72	346.09	10.80	-16.92
CC1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1C	REAL300018078906	0	44	0.0	-33.12	349.70	9.99	-23.13
CC1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1C	REAL300018078907	0	36	0.0	-32.62	325.49	9.83	-22.79
CC1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1C	REAL300018078908	0	50	0.0	-31.38	386.43	10.02	-21.36
CC1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1C	REAL300018078909	0	47	0.0	-38.50	386.07	6.82	-31.68
CC1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1C	REAL300018078910	0	43	0.0	-29.96	344.99	10.16	-19.80
CC1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1C	REAL300018078911	0	43	0.0	-33.17	345.17	10.16	-23.01
CC1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1C	REAL300018078912	0	42	0.0	-27.11	334.43	10.52	-16.59
CC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1C	REAL300018078913	0	42	0.0	-39.02	352.07	9.19	-29.83
CC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1C	REAL300018078914	0	53	0.0	-32.12	403.13	11.94	-20.18
CC1=CC=C(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300018078915	0	54	0.0	-30.20	387.01	12.92	-17.28
CC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1C	REAL300018078916	0	48	0.0	-32.33	381.11	11.73	-20.60
CC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1C	REAL300018078917	0	48	0.0	-33.27	381.30	11.74	-21.53
CC1=CC=C(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])C=C1C	REAL300018078918	1	56	0.0	-31.13	421.70	8.82	-22.31
CC1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1C	REAL300018078919	0	48	0.0	-35.18	395.14	8.64	-26.54
CC1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1C	REAL300018078920	0	49	0.0	-35.73	373.58	7.96	-27.77
CC1=CC=C(C([NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])C=C1C	REAL300018078921	0	54	0.0	-31.18	421.81	11.20	-19.98
CC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C(=O)[O-])C=C1C	REAL300018078922	0	54	0.0	-30.29	420.35	11.13	-19.16
CC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1C	REAL300018078923	0	53	0.0	-32.14	400.38	8.65	-23.49
CC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1C	REAL300018078924	0	46	0.0	-33.77	379.05	11.43	-22.34
CC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1C	REAL300018078925	0	46	0.0	-33.28	389.36	11.88	-21.40
CC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1C	REAL300018078926	0	48	0.0	-33.99	375.26	9.93	-24.06
CC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])C=C1C	REAL300018078927	0	46	0.0	-35.41	384.76	10.84	-24.57
CC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])C=C1C	REAL300018078929	0	46	0.0	-34.17	397.08	13.40	-20.77
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CC=C1OCC(F)(F)F	REAL300018078930	0	50	0.0	-35.20	412.05	10.67	-24.53
CC1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1C	REAL300018078931	0	49	0.0	-34.13	381.50	9.99	-24.14
CC1=CC=C(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])C=C1C	REAL300018078932	0	52	0.0	-36.00	419.98	11.67	-24.33
CC1=CC=C(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])C=C1C	REAL300018078933	0	52	0.0	-32.77	417.84	11.73	-21.04
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300018078935	0	50	0.0	-31.14	396.87	9.58	-21.56
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1Cl	REAL300018078936	0	43	0.0	-31.23	357.41	9.94	-21.29
CC1=CC=C(C([NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C(=O)[O-])C=C1C	REAL300018078937	0	45	0.0	-34.10	392.70	11.70	-22.40
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078939	0	42	0.0	-27.37	359.55	7.49	-19.88
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078940	0	42	0.0	-27.89	339.54	6.92	-20.97
CC1=CC=C(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1C	REAL300018078941	0	38	0.0	-27.59	330.12	8.91	-18.68
CC1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)S2)C(=O)[O-])C=C1C	REAL300018078942	1	48	0.0	-32.76	387.50	7.46	-25.30
CC1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1C	REAL300018078943	0	44	0.0	-32.32	344.53	10.24	-22.08
CC1=CC=C(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300018078944	0	46	0.0	-35.67	383.42	10.80	-24.87
CC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1C	REAL300018078945	0	45	0.0	-33.09	356.69	9.35	-23.74
CC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1C	REAL300018078946	0	48	0.0	-32.53	374.10	10.11	-22.42
CC1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1C	REAL300018078947	0	46	0.0	-33.87	369.56	12.29	-21.58
CC1=CC=C(C([NH2+]C2CC(C3=CC=CC(Br)=C3)C2)C(=O)[O-])C=C1C	REAL300018078948	0	46	0.0	-33.86	374.25	12.40	-21.46
CC1=CC=C(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])C=C1C	REAL300018078949	0	46	0.0	-30.40	367.27	12.22	-18.18
CC1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1C	REAL300018078950	0	47	0.0	-34.80	381.04	11.37	-23.43
CC1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1C	REAL300018078951	0	50	0.0	-35.72	391.95	8.52	-27.20
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300018078952	0	49	0.0	-29.06	384.74	11.11	-17.95
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300018078953	0	48	0.0	-32.60	392.44	11.69	-20.91
CC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1C	REAL300018078954	0	46	0.0	-29.93	378.54	12.70	-17.23
CC1=CC=C(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])C=C1C	REAL300018078955	0	46	0.0	-34.86	389.21	12.89	-21.97
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C)C(C)=C3)C=NC2=NN1	REAL300018078956	0	44	0.0	-43.72	355.56	8.64	-35.08
CC1=CC=C(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])C=C1C	REAL300018078957	0	53	0.0	-29.69	408.53	12.36	-17.33
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)S1	REAL300018078958	1	41	0.0	-30.56	340.69	8.82	-21.74
CC1=CC=C(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1C	REAL300018078959	1	42	0.0	-31.67	339.34	10.55	-21.12
CC1=CC=C(C([NH2+]CC2=CN=C(N(C)C)S2)C(=O)[O-])C=C1C	REAL300018078960	1	43	0.0	-32.15	355.14	9.14	-23.01
CC1=CC=C(C([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])C=C1C	REAL300018078961	0	49	0.0	-29.85	383.09	10.99	-18.86
CC1=CC=C(C([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(=O)[O-])C=C1C	REAL300018078965	0	53	0.0	-31.13	426.87	13.53	-17.60
CC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])C=C1C	REAL300018078968	0	48	0.0	-34.82	377.05	12.32	-22.50
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C1	REAL300018078969	0	51	0.0	-32.10	392.04	12.92	-19.18
CC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1C	REAL300018078970	0	51	0.0	-34.61	407.48	13.18	-21.43
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300018078971	0	51	0.0	-31.59	390.76	12.89	-18.70
CC1=CC=C(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1C	REAL300018078972	0	54	0.0	-30.43	410.09	10.76	-19.67
CC1=CC=C(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1C	REAL300018078973	1	51	0.0	-57.05	377.75	10.54	-46.51
CC1=CC=C(C([NH2+]C2CCN(CC3CC3)CC2)C(=O)[O-])C=C1C	REAL300018078973	1	51	0.0	-30.55	375.08	9.00	-21.55
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300018078975	0	62	0.0	-34.89	469.90	14.43	-20.46
CC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1C	REAL300018078978	0	46	0.0	-35.17	386.76	12.96	-22.21
CC1=CC=C(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])C=C1C	REAL300018078979	0	51	0.0	-31.41	397.99	10.82	-20.59
CC1=CC=C(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1C	REAL300018078980	0	43	0.0	-37.13	347.92	8.49	-28.64
CC1=CC=C(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1C	REAL300018078981	0	42	0.0	-36.94	357.51	11.15	-25.79
CC1=CC=C(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1C	REAL300018078983	1	53	0.0	-55.81	389.55	10.54	-45.27
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=C(C)S1	REAL300018078984	1	42	0.0	-27.55	339.06	10.56	-16.99
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C)C(C)=C3)S2)C=C1	REAL300018078985	0	49	0.0	-29.12	401.74	13.57	-15.55
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078986	0	43	0.0	-29.37	374.82	10.54	-18.83
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1	REAL300018078987	0	45	0.0	-33.26	370.95	10.92	-22.34
CC1=CC=C(C([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C(=O)[O-])C=C1C	REAL300018078988	0	50	0.0	-32.87	415.33	13.14	-19.73
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1OC	REAL300018078989	0	54	0.0	-34.86	425.64	10.14	-24.72
CC1=CC=C(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])C=C1C	REAL300018078990	0	53	0.0	-32.74	399.93	8.92	-23.82
CC1=CC=C(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1C	REAL300018078991	1	53	0.0	-53.87	379.92	9.81	-44.06
CC1=CC=C(C([NH2+]C2CCN(C(C)(C)C)CC2)C(=O)[O-])C=C1C	REAL300018078991	1	53	0.0	-30.18	375.49	8.59	-21.59
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CC=C1SC	REAL300018078992	0	47	0.0	-32.66	380.79	10.43	-22.23
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CC=C1OC	REAL300018078993	0	56	0.0	-32.66	431.16	11.62	-21.04
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CC=C1OC	REAL300018078994	0	54	0.0	-33.43	424.46	11.55	-21.88
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)C=C1OCCC(C)C	REAL300018078995	0	59	0.0	-32.65	453.05	12.31	-20.34
CC1=CC=C(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])C=C1C	REAL300018078996	0	60	0.0	-31.04	433.78	6.05	-24.99
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C)C(C)=C2)=CC=C1OC	REAL300018078997	0	53	0.0	-33.42	415.47	10.30	-23.12
CC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1C	REAL300018078998	1	46	0.0	-33.68	371.90	10.04	-23.64
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C)C(C)=C1	REAL300018078999	0	51	0.0	-33.93	387.88	12.86	-21.07
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1Cl	REAL300018079928	0	40	0.0	-36.61	347.62	9.50	-27.11
COC1=CC=C(C([NH2+]C(C)CCC=C(C)C)C(=O)[O-])C=C1Cl	REAL300018079930	0	46	0.0	-31.70	368.18	9.82	-21.88
COC1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1Cl	REAL300018079931	0	52	0.0	-33.95	390.03	10.06	-23.89
COC1=CC=C(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1Cl	REAL300018079932	0	50	0.0	-36.21	405.38	10.88	-25.33
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1Cl	REAL300018079933	0	44	0.0	-35.14	388.29	11.41	-23.73
COC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1Cl	REAL300018079934	0	40	0.0	-34.73	356.37	10.27	-24.46
COC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300018079935	0	47	0.0	-34.40	388.87	9.61	-24.79
COC1=CC=C(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1Cl	REAL300018079936	0	40	0.0	-34.76	347.63	9.49	-25.27
COC1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1Cl	REAL300018079937	0	41	0.0	-33.10	352.28	8.79	-24.31
COC1=CC=C(C([NH2+]CC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1Cl	REAL300018079938	1	36	0.0	-44.47	340.96	8.59	-35.88
COC1=CC=C(C([NH2+]C2CC(C)CC(C)C2)C(=O)[O-])C=C1Cl	REAL300018079939	0	46	0.0	-33.69	360.69	9.35	-24.34
COC1=CC=C(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])C=C1Cl	REAL300018079940	0	49	0.0	-31.37	400.18	11.42	-19.95
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C(=O)[O-])C=C1Cl	REAL300018079941	0	50	0.0	-34.93	416.52	12.87	-22.06
COC1=CC=C(C([NH2+]CC2=CC(C)=CC(C)=C2)C(=O)[O-])C=C1Cl	REAL300018079942	0	43	0.0	-32.08	363.74	10.11	-21.97
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1Cl	REAL300018079943	0	43	0.0	-49.00	376.43	9.53	-39.47
COC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1Cl	REAL300018079944	0	37	0.0	-34.43	354.38	9.80	-24.63
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])C=C1Cl	REAL300018079945	0	50	0.0	-32.02	415.04	12.81	-19.21
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1Cl	REAL300018079946	0	41	0.0	-35.01	360.17	8.37	-26.64
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C=C1OCC	REAL300018079947	0	51	0.0	-36.28	421.44	9.76	-26.52
COC1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1Cl	REAL300018079949	0	49	0.0	-28.78	368.51	10.08	-18.70
COC1=CC=C(C([NH2+]CC2=CN=CN=C2)C(=O)[O-])C=C1Cl	REAL300018079950	0	35	0.0	-35.83	308.61	6.74	-29.09
COC1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1Cl	REAL300018079951	0	40	0.0	-40.66	359.20	7.86	-32.80
COC1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1Cl	REAL300018079952	0	42	0.0	-34.85	357.35	9.04	-25.81
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1Cl	REAL300018079953	0	41	0.0	-32.39	364.98	8.53	-23.86
COC1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1Cl	REAL300018079954	0	43	0.0	-41.80	380.29	6.28	-35.52
COC1=CC=C(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300018079955	0	50	0.0	-32.87	410.50	10.14	-22.73
COC1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1Cl	REAL300018079956	0	44	0.0	-36.47	374.51	10.80	-25.67
COC1=CC=C(C([NH2+]C(C)CCCC(C)C)C(=O)[O-])C=C1Cl	REAL300018079957	0	48	0.0	-32.22	378.40	9.94	-22.28
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(Cl)=C1	REAL300018079958	0	45	0.0	-31.55	346.01	9.07	-22.48
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)S1	REAL300018079959	1	40	0.0	-29.41	353.20	9.44	-19.97
COC1=CC=C(C([NH2+]CC2=CCCOC2)C(=O)[O-])C=C1Cl	REAL300018079960	0	39	0.0	-32.77	325.96	6.55	-26.22
COC1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1Cl	REAL300018079962	0	42	0.0	-35.71	356.81	8.63	-27.08
COC1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1Cl	REAL300018079963	0	34	0.0	-34.55	331.26	8.44	-26.11
COC1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079964	0	48	0.0	-34.08	394.86	8.70	-25.38
COC1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1Cl	REAL300018079965	0	45	0.0	-41.75	394.50	5.50	-36.25
COC1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1Cl	REAL300018079967	0	41	0.0	-31.89	350.77	8.78	-23.11
COC1=CC=C(C([NH2+]CC2=CN=CN2C)C(=O)[O-])C=C1Cl	REAL300018079968	0	37	0.0	-32.11	319.13	7.87	-24.24
COC1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1Cl	REAL300018079969	0	41	0.0	-34.76	350.35	8.76	-26.00
COC1=CC=C(C([NH2+]CC2=CC(C)=NN2C)C(=O)[O-])C=C1Cl	REAL300018079970	0	40	0.0	-35.36	342.16	6.91	-28.45
COC1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1Cl	REAL300018079971	0	40	0.0	-32.15	344.63	9.19	-22.96
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1Cl	REAL300018079972	0	40	0.0	-41.70	359.17	7.85	-33.85
COC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1Cl	REAL300018079973	0	51	0.0	-34.90	411.55	10.61	-24.29
COC1=CC=C(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300018079974	0	52	0.0	-30.14	393.95	11.81	-18.33
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1Cl	REAL300018079975	0	46	0.0	-34.30	388.21	10.37	-23.93
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1Cl	REAL300018079976	0	46	0.0	-36.36	388.40	10.39	-25.97
COC1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1Cl	REAL300018079978	0	46	0.0	-37.91	402.34	7.29	-30.62
COC1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1Cl	REAL300018079979	0	47	0.0	-37.05	379.39	6.56	-30.49
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1Cl	REAL300018079980	0	51	0.0	-32.96	406.18	7.25	-25.71
COC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079981	0	44	0.0	-35.32	384.23	10.01	-25.31
COC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1Cl	REAL300018079982	0	46	0.0	-36.36	382.36	8.58	-27.78
COC1=CC=C(C([NH2+]CC2=CC=NN2C)C(=O)[O-])C=C1Cl	REAL300018079983	0	37	0.0	-33.07	319.38	6.29	-26.78
COC1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079984	0	47	0.0	-37.21	389.93	8.67	-28.54
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=C1	REAL300018079986	0	48	0.0	-33.61	405.89	8.29	-25.32
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)C=C1Cl	REAL300018079987	0	41	0.0	-33.96	366.43	8.64	-25.32
COC1=CC=C(C([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])C=C1Cl	REAL300018079989	0	40	0.0	-30.26	346.65	5.56	-24.70
COC1=CC=C(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1Cl	REAL300018079990	0	36	0.0	-29.40	337.22	7.56	-21.84
COC1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1Cl	REAL300018079992	0	42	0.0	-35.08	353.66	8.96	-26.12
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1Cl	REAL300018079994	0	43	0.0	-29.63	361.89	7.95	-21.68
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1Cl	REAL300018079995	0	46	0.0	-35.77	382.53	8.77	-27.00
COC1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1Cl	REAL300018079996	0	44	0.0	-36.87	376.67	10.93	-25.94
COC1=CC=C(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])C=C1Cl	REAL300018079997	0	44	0.0	-33.32	373.69	10.82	-22.50
COC1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079998	0	45	0.0	-37.42	388.14	10.01	-27.41
COC1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1Cl	REAL300018079999	0	48	0.0	-38.15	399.08	7.17	-30.98
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(Cl)=C2)=C1	REAL300018080000	0	47	0.0	-31.67	393.76	9.82	-21.85
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1F	REAL300018080959	0	42	0.0	-33.35	332.59	10.69	-22.66
CC1=CC=CC(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])=C1C	REAL300018080961	0	54	0.0	-30.95	374.02	11.25	-19.70
CC1=CC=CC(C([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])=C1C	REAL300018080962	0	46	0.0	-34.80	364.29	12.17	-22.63
CC1=CC=CC(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])=C1C	REAL300018080963	0	52	0.0	-31.88	389.54	11.87	-20.01
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)C(Cl)=C1OC	REAL300018080964	0	47	0.0	-27.63	380.48	9.76	-17.87
CC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=C1C	REAL300018080965	1	46	0.0	-30.91	373.24	12.60	-18.31
CC1=CC=CC(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1C	REAL300018080966	0	42	0.0	-32.38	343.27	11.51	-20.87
CC1=CC=CC(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=C1C	REAL300018080967	0	49	0.0	-31.81	375.45	10.90	-20.91
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1	REAL300018080968	0	61	0.0	-30.73	462.22	14.12	-16.61
CC1=CC=CC(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1C	REAL300018080969	0	60	0.0	-31.42	438.84	14.35	-17.07
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)=CC=C1F	REAL300018080970	0	42	0.0	-31.71	332.59	10.68	-21.03
CC1=CC=CC(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=C1C	REAL300018080971	0	43	0.0	-29.32	335.60	9.94	-19.38
CC1=CC=CC(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=C1C	REAL300018080973	0	51	0.0	-29.31	387.07	12.66	-16.65
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(C)=C3C)=C2)C=C1	REAL300018080974	0	52	0.0	-31.92	401.49	14.06	-17.86
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)=C1	REAL300018080975	0	43	0.0	-26.41	351.08	9.93	-16.48
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1[N+](=O)[O-]	REAL300018080976	0	45	0.0	-44.09	359.11	10.63	-33.46
CC1=CC=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1C	REAL300018080977	0	39	0.0	-30.90	339.35	10.99	-19.91
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)=C1	REAL300018080978	0	52	0.0	-29.99	401.95	14.06	-15.93
CC1=CC=CC(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])=C1C	REAL300018080979	0	43	0.0	-33.29	342.62	9.54	-23.75
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1OCC	REAL300018080980	0	53	0.0	-33.36	405.82	10.99	-22.37
CC1=CC=CC(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])=C1C	REAL300018080981	0	51	0.0	-31.09	359.17	11.10	-19.99
CC1=CC=CC(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300018080982	0	42	0.0	-36.02	355.26	11.37	-24.65
CC1=CC=CC(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])=C1C	REAL300018080983	0	39	0.0	-25.32	328.57	10.60	-14.72
CC1=CC=CC(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])=C1C	REAL300018080984	0	42	0.0	-32.84	342.97	9.06	-23.78
CC1=CC=CC(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])=C1C	REAL300018080985	0	44	0.0	-31.24	342.32	10.24	-21.00
CC1=CC=CC(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])=C1C	REAL300018080986	0	43	0.0	-32.70	349.37	9.75	-22.95
CC1=CC=CC(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])=C1C	REAL300018080987	0	45	0.0	-39.13	366.87	7.57	-31.56
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)C=C1	REAL300018080988	0	53	0.0	-32.78	414.09	13.04	-19.74
CC1=CC=CC(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300018080989	0	52	0.0	-31.84	397.03	11.42	-20.42
CC1=CC=CC(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=C1C	REAL300018080990	0	46	0.0	-32.39	364.93	12.12	-20.27
CC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])=C1C	REAL300018080991	0	49	0.0	-31.24	394.53	13.83	-17.41
CC1=CC=CC(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])=C1C	REAL300018080992	0	49	0.0	-32.17	396.81	13.90	-18.27
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(C)=C2C)S1	REAL300018080993	0	42	0.0	-27.63	339.77	10.73	-16.90
CC1=CC=CC(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=C1C	REAL300018080995	0	44	0.0	-31.82	340.14	9.78	-22.04
CC1=CC=CC(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])=C1C	REAL300018080996	0	36	0.0	-29.26	317.54	9.67	-19.59
CC1=CC=CC(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])=C1C	REAL300018080997	0	50	0.0	-31.30	380.10	9.96	-21.34
CC1=CC=CC(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])=C1C	REAL300018080998	0	47	0.0	-38.64	379.75	6.76	-31.88
CC1=CC=CC(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=C1C	REAL300018080999	0	43	0.0	-29.18	337.06	10.00	-19.18
CC1=CC=CC(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=C1C	REAL300018081000	0	43	0.0	-32.44	337.23	9.99	-22.45
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1F	REAL300018082027	0	40	0.0	-37.93	337.82	9.03	-28.90
COC1=CC=C(C([NH2+]C(C)CCC=C(C)C)C(=O)[O-])C=C1F	REAL300018082029	0	46	0.0	-33.46	359.66	9.38	-24.08
COC1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1F	REAL300018082030	0	52	0.0	-35.24	380.23	9.58	-25.66
COC1=CC=C(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1F	REAL300018082031	0	50	0.0	-37.31	395.57	10.40	-26.91
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])C=C1F	REAL300018082032	0	45	0.0	-30.21	383.80	8.03	-22.18
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1F	REAL300018082033	0	44	0.0	-36.41	378.49	10.94	-25.47
COC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1F	REAL300018082034	1	40	0.0	-36.16	346.57	9.79	-26.37
COC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])C=C1F	REAL300018082035	0	47	0.0	-35.67	379.06	9.13	-26.54
COC1=CC=C(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1F	REAL300018082036	0	58	0.0	-33.93	442.78	12.65	-21.28
COC1=CC=C(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082037	0	40	0.0	-36.12	337.83	9.02	-27.10
COC1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1F	REAL300018082038	0	41	0.0	-34.34	342.47	8.31	-26.03
COC1=CC=C(C([NH2+]CC2=CSC([N+](=O)[O-])=C2)C(=O)[O-])C=C1F	REAL300018082039	1	36	0.0	-45.80	331.16	8.11	-37.69
COC1=CC=C(C([NH2+]C2CC(C)CC(C)C2)C(=O)[O-])C=C1F	REAL300018082040	0	46	0.0	-34.94	350.88	8.87	-26.07
COC1=CC=C(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])C=C1F	REAL300018082041	0	49	0.0	-33.40	392.30	11.00	-22.40
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C(=O)[O-])C=C1F	REAL300018082042	0	50	0.0	-35.47	404.80	12.34	-23.13
COC1=CC=C(C([NH2+]CC2=CC(C)=CC(C)=C2)C(=O)[O-])C=C1F	REAL300018082043	0	43	0.0	-32.89	352.62	9.61	-23.28
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082044	1	41	0.0	-28.99	354.70	8.15	-20.84
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1F	REAL300018082045	0	43	0.0	-50.49	366.63	9.05	-41.44
COC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082046	0	37	0.0	-35.55	343.25	9.28	-26.27
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])C=C1F	REAL300018082047	0	50	0.0	-33.27	405.23	12.34	-20.93
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082048	0	41	0.0	-35.66	348.44	7.84	-27.82
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1OCC	REAL300018082049	0	51	0.0	-38.40	413.56	9.35	-29.05
COC1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1F	REAL300018082050	0	49	0.0	-29.87	358.70	9.61	-20.26
COC1=CC=C(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082051	0	40	0.0	-36.45	363.00	9.73	-26.72
COC1=CC=C(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1F	REAL300018082052	1	37	0.0	-34.91	328.67	8.78	-26.13
COC1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1F	REAL300018082053	0	40	0.0	-42.02	349.40	7.38	-34.64
COC1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1F	REAL300018082054	0	42	0.0	-36.27	347.54	8.57	-27.70
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082055	0	41	0.0	-34.39	357.10	8.11	-26.28
COC1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1F	REAL300018082056	0	43	0.0	-43.04	370.48	5.80	-37.24
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C(=O)[O-])C=C1F	REAL300018082057	0	51	0.0	-37.04	419.31	11.38	-25.66
COC1=CC=C(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018082058	0	50	0.0	-33.98	400.69	9.67	-24.31
COC1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1F	REAL300018082059	0	44	0.0	-38.08	366.75	10.38	-27.70
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082060	0	47	0.0	-36.36	402.04	12.25	-24.11
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])C=C1F	REAL300018082061	0	47	0.0	-36.46	402.04	12.24	-24.22
COC1=CC=C(C([NH2+]C(C)CCCC(C)C)C(=O)[O-])C=C1F	REAL300018082062	0	48	0.0	-33.34	368.59	9.47	-23.87
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082063	1	40	0.0	-30.60	343.40	8.97	-21.63
COC1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1F	REAL300018082065	0	42	0.0	-37.00	347.00	8.15	-28.85
COC1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1F	REAL300018082066	0	34	0.0	-36.29	322.78	8.00	-28.29
COC1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082067	0	48	0.0	-34.93	383.73	8.19	-26.74
COC1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1F	REAL300018082068	0	45	0.0	-43.08	384.70	5.02	-38.06
COC1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1F	REAL300018082069	0	41	0.0	-33.22	342.29	8.33	-24.89
COC1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1F	REAL300018082070	0	41	0.0	-36.02	340.55	8.28	-27.74
COC1=CC=C(C([NH2+]CC2=CC(C)=NN2C)C(=O)[O-])C=C1F	REAL300018082071	0	40	0.0	-36.75	332.36	6.44	-30.31
COC1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1F	REAL300018082072	0	40	0.0	-33.25	334.82	8.72	-24.53
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1F	REAL300018082073	0	40	0.0	-43.12	349.37	7.38	-35.74
COC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1F	REAL300018082074	0	51	0.0	-36.18	401.75	10.13	-26.05
COC1=CC=C(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018082075	0	52	0.0	-31.32	384.15	11.33	-19.99
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1F	REAL300018082076	0	46	0.0	-36.32	380.33	9.96	-26.36
COC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1F	REAL300018082077	0	46	0.0	-38.51	380.52	9.97	-28.54
COC1=CC=C(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])C=C1F	REAL300018082078	1	54	0.0	-35.19	420.33	7.01	-28.18
COC1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1F	REAL300018082079	0	46	0.0	-38.80	391.22	6.79	-32.01
COC1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1F	REAL300018082080	0	47	0.0	-38.22	369.58	6.09	-32.13
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1F	REAL300018082081	0	51	0.0	-34.07	396.38	6.77	-27.30
COC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082082	0	44	0.0	-37.32	376.35	9.60	-27.72
COC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082083	0	44	0.0	-36.24	384.74	9.99	-26.25
COC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1F	REAL300018082084	0	46	0.0	-37.67	372.55	8.09	-29.58
COC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082085	0	44	0.0	-36.92	382.03	9.01	-27.91
COC1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082086	0	47	0.0	-38.54	380.12	8.19	-30.35
COC1=CC=C(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082087	0	50	0.0	-37.23	415.33	9.78	-27.45
COC1=CC=C(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])C=C1F	REAL300018082088	0	50	0.0	-35.53	413.22	9.84	-25.69
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082090	0	48	0.0	-34.76	396.09	7.81	-26.95
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082091	0	41	0.0	-35.20	356.63	8.17	-27.03
COC1=CC=C(C([NH2+]CC2=CC(Br)=CN=C2OC)C(=O)[O-])C=C1F	REAL300018082093	1	40	0.0	-31.24	356.85	5.65	-25.59
COC1=CC=C(C([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])C=C1F	REAL300018082094	1	40	0.0	-31.21	335.51	5.05	-26.16
COC1=CC=C(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1F	REAL300018082095	0	36	0.0	-30.02	326.10	7.05	-22.97
COC1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1F	REAL300018082097	0	42	0.0	-36.37	343.84	8.47	-27.90
COC1=CC=C(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082098	0	44	0.0	-39.41	380.72	8.96	-30.45
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1F	REAL300018082100	0	43	0.0	-31.48	354.01	7.53	-23.95
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1F	REAL300018082101	0	46	0.0	-36.23	371.40	8.28	-27.95
COC1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1F	REAL300018082102	0	44	0.0	-38.22	366.87	10.44	-27.78
COC1=CC=C(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])C=C1F	REAL300018082103	0	44	0.0	-34.65	363.89	10.34	-24.31
COC1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082104	0	45	0.0	-39.48	380.27	9.60	-29.88
COC1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082105	0	48	0.0	-39.14	387.96	6.66	-32.48
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082106	0	47	0.0	-32.26	382.04	9.28	-22.98
COC1=CC=C(C([NH2+]C(C)CN2C=NC=N2)C(=O)[O-])C=C1F	REAL300018082107	0	39	0.0	-45.00	322.41	8.36	-36.64
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082108	0	46	0.0	-36.47	389.75	9.86	-26.61
COC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1F	REAL300018082109	1	44	0.0	-33.18	375.85	10.87	-22.31
COC1=CC=C(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])C=C1F	REAL300018082110	0	44	0.0	-38.98	386.50	11.05	-27.93
COC1=CC=C(C([NH2+]CC2=CC3=C(C)NN=C3N=C2)C(=O)[O-])C=C1F	REAL300018082111	0	42	0.0	-43.02	352.86	6.80	-36.22
COC1=CC=C(C([NH2+]CC2=CN=C(C)N=C2)C(=O)[O-])C=C1F	REAL300018082112	0	38	0.0	-37.96	322.58	6.30	-31.66
COC1=CC=C(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])C=C1F	REAL300018082113	0	51	0.0	-32.13	403.91	10.48	-21.65
COC1=CC=C(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1F	REAL300018082115	0	40	0.0	-35.89	337.95	8.74	-27.15
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082117	0	47	0.0	-32.27	378.46	9.11	-23.16
COC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])C=C1F	REAL300018082122	0	46	0.0	-36.28	372.46	10.43	-25.85
COC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(C)=C2)C(=O)[O-])C=C1F	REAL300018082123	0	49	0.0	-33.65	387.45	11.03	-22.62
COC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082124	0	49	0.0	-36.73	404.78	11.36	-25.37
COC1=CC=C(C([NH2+]C(C)CCC2=CC=C(C)C=C2)C(=O)[O-])C=C1F	REAL300018082125	0	49	0.0	-33.93	388.06	11.06	-22.87
COC1=CC=C(C([NH2+]C2CCC(F)(F)CC2)C(=O)[O-])C=C1F	REAL300018082126	0	40	0.0	-34.25	320.24	7.80	-26.45
COC1=CC=C(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1F	REAL300018082127	0	52	0.0	-32.87	407.39	8.93	-23.94
COC1=CC=C(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1F	REAL300018082128	0	49	0.0	-56.46	375.07	8.71	-47.75
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1F	REAL300018082131	1	44	0.0	-38.53	383.44	11.10	-27.43
COC1=CC=C(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])C=C1F	REAL300018082132	0	49	0.0	-37.36	388.08	8.67	-28.69
COC1=CC=C(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1F	REAL300018082133	0	41	0.0	-41.71	347.14	6.72	-34.99
COC1=CC=C(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1F	REAL300018082134	1	40	0.0	-39.82	353.49	9.28	-30.54
COC1=CC=C(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1F	REAL300018082136	0	51	0.0	-53.51	383.45	8.59	-44.92
COC1=CC=C(C([NH2+]CC2=C(C)SC(C)=C2)C(=O)[O-])C=C1F	REAL300018082137	0	40	0.0	-32.27	338.28	8.77	-23.50
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1F	REAL300018082138	1	47	0.0	-36.70	400.35	11.77	-24.93
COC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])C=C1F	REAL300018082139	0	41	0.0	-30.15	371.44	8.68	-21.47
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082140	0	43	0.0	-38.17	366.93	9.05	-29.12
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1OC	REAL300018082141	0	52	0.0	-39.26	423.57	8.34	-30.92
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])C=C1F	REAL300018082142	0	51	0.0	-35.14	397.76	7.09	-28.05
COC1=CC=C(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1F	REAL300018082143	0	51	0.0	-52.93	377.06	8.02	-44.91
COC1=CC=C(C([NH2+]CC2=CC=C(SC)C(OC)=C2)C(=O)[O-])C=C1F	REAL300018082144	0	45	0.0	-36.25	378.09	8.60	-27.65
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC=C1OC	REAL300018082145	0	54	0.0	-36.19	428.46	9.79	-26.40
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC=C1OC	REAL300018082146	0	52	0.0	-37.16	422.10	9.73	-27.43
COC1=CC=C(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])C=C1F	REAL300018082147	0	58	0.0	-34.57	430.52	4.34	-30.23
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC=C1OC	REAL300018082148	0	51	0.0	-37.72	414.69	8.53	-29.19
COC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C(=O)[O-])C=C1F	REAL300018082149	0	44	0.0	-38.53	369.19	8.20	-30.33
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082151	0	49	0.0	-35.55	383.98	10.98	-24.57
COC1=CC=C(C([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082154	0	49	0.0	-36.06	405.39	11.39	-24.67
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1Cl	REAL300018082155	0	45	0.0	-35.18	391.39	9.67	-25.51
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C2OC(C)CC2=C1	REAL300018082157	0	49	0.0	-36.01	396.23	8.16	-27.85
COC1=CC=C(C([NH2+]CC2=NN(C)C3=CC=CC=C23)C(=O)[O-])C=C1F	REAL300018082158	1	43	0.0	-37.46	359.75	8.20	-29.26
COC1=CC=C(C([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1F	REAL300018082159	0	40	0.0	-38.70	337.99	6.92	-31.78
COC1=CC=C(C([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])C=C1F	REAL300018082160	0	45	0.0	-35.34	372.17	7.86	-27.48
COC1=CC=C(C([NH2+]CC2=NC=CN2CC(F)(F)F)C(=O)[O-])C=C1F	REAL300018082161	1	40	0.0	-32.49	346.35	7.74	-24.75
COC1=CC=C(C(NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])C=C1F	REAL300018082162	0	58	0.0	-54.20	416.78	10.08	-44.12
COC1=CC=C(C([NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C(=O)[O-])C=C1F	REAL300018082163	0	52	0.0	-32.53	414.96	11.94	-20.59
COC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])C=C1F	REAL300018082164	0	48	0.0	-36.25	387.23	9.52	-26.73
COC1=CC=C(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])C=C1F	REAL300018082168	0	40	0.0	-33.75	335.97	8.57	-25.18
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC(C(F)(F)F)=C1	REAL300018082170	0	44	0.0	-36.33	378.02	8.57	-27.76
COC1=CC=C(C([NH2+]CC2=CC=CN=C2C)C(=O)[O-])C=C1F	REAL300018082171	0	39	0.0	-34.07	321.01	7.10	-26.97
COC1=CC=C(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])C=C1F	REAL300018082172	0	46	0.0	-35.13	367.26	9.06	-26.07
COC1=CC=C(C([NH2+]CC2=CN=C(N(C)C)N2C)C(=O)[O-])C=C1F	REAL300018082173	0	45	0.0	-37.08	368.44	7.36	-29.72
COC1=CC=C(C([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])C=C1F	REAL300018082175	0	50	0.0	-35.59	404.07	10.03	-25.56
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082176	0	48	0.0	-38.29	394.77	7.77	-30.52
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082177	0	46	0.0	-28.55	356.06	6.98	-21.57
COC1=CC=C(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1F	REAL300018082178	0	49	0.0	-35.43	364.79	9.49	-25.94
COC1=CC=C(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082179	0	41	0.0	-37.48	366.39	8.44	-29.04
COC1=CC=C(C([NH2+]CC2=CC=C(N(C)C)C=C2C)C(=O)[O-])C=C1F	REAL300018082180	0	48	0.0	-32.12	375.09	9.23	-22.89
COC1=CC=C(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1F	REAL300018082181	0	44	0.0	-32.98	355.35	10.19	-22.79
COC1=CC=C(C([NH2+]C(C)CC2=CC=CC=C2C)C(=O)[O-])C=C1F	REAL300018082182	0	46	0.0	-32.10	356.62	9.95	-22.15
COC1=CC=C(C([NH2+]C(C)CC2=CC=CC(C)=C2)C(=O)[O-])C=C1F	REAL300018082183	0	46	0.0	-30.33	363.04	10.24	-20.09
COC1=CC=C(C([NH2+]CC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])C=C1F	REAL300018082184	0	44	0.0	-34.39	363.94	6.29	-28.10
COC1=CC=C(C([NH2+]CC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])C=C1F	REAL300018082185	0	45	0.0	-35.60	377.45	7.86	-27.74
COC1=CC=C(C([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082187	0	50	0.0	-32.81	404.06	10.04	-22.77
COC1=CC=C(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])C=C1F	REAL300018082188	0	43	0.0	-34.78	356.32	10.44	-24.34
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(CN3C=CC=N3)=C2)C(=O)[O-])C=C1F	REAL300018082189	0	51	0.0	-40.65	423.33	9.29	-31.36
COC1=CC=C(C([NH2+]CCC2CCOCC2)C(=O)[O-])C=C1F	REAL300018082190	0	44	0.0	-37.18	344.53	6.87	-30.31
COC1=CC=C(C([NH2+]CC2CCSCC2)C(=O)[O-])C=C1F	REAL300018082191	0	41	0.0	-35.30	330.39	8.33	-26.97
COC1=CC=C(C([NH2+]CC2CCCCCC2)C(=O)[O-])C=C1F	REAL300018082192	0	46	0.0	-32.35	341.57	9.00	-23.35
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])C=C1F	REAL300018082193	0	48	0.0	-30.32	388.41	9.51	-20.81
COC1=CC=C(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])C=C1F	REAL300018082195	1	36	0.0	-35.58	319.58	7.06	-28.52
COC1=CC=C(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1F	REAL300018082196	1	36	0.0	-36.34	317.66	7.01	-29.33
COC1=CC=C(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])C=C1F	REAL300018082197	0	37	0.0	-36.37	338.82	8.99	-27.38
COC1=CC=C(C([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1F	REAL300018082199	0	43	0.0	-32.53	362.18	10.03	-22.50
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=N1	REAL300018082200	0	41	0.0	-37.84	344.06	6.90	-30.94
COC1=CC=C(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])C=C1F	REAL300018082201	0	44	0.0	-34.67	369.46	9.51	-25.16
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082202	0	40	0.0	-37.00	331.17	8.31	-28.69
COC1=CC=C(C([NH2+]CC2=CN=C(C)N2C)C(=O)[O-])C=C1F	REAL300018082203	0	40	0.0	-34.09	332.04	7.31	-26.78
COC1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])C=C1F	REAL300018082204	0	42	0.0	-38.13	350.79	8.75	-29.38
COC1=CC=C(C([NH2+]CC2=CC(C)=C(Br)S2)C(=O)[O-])C=C1F	REAL300018082205	0	37	0.0	-36.36	342.60	8.75	-27.61
COC1=CC=C(C([NH2+]CC2=CN=C3CCCN23)C(=O)[O-])C=C1F	REAL300018082206	0	41	0.0	-35.85	337.12	7.88	-27.97
COC1=CC=C(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])C=C1F	REAL300018082207	0	45	0.0	-47.01	364.72	4.13	-42.88
COC1=CC=C(C([NH2+]CC2=CC=C(F)C=N2)C(=O)[O-])C=C1F	REAL300018082208	1	36	0.0	-31.02	312.51	6.56	-24.46
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082210	0	41	0.0	-35.75	345.72	7.65	-28.10
COC1=CC=C(C([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])C=C1F	REAL300018082211	0	41	0.0	-38.54	334.90	5.84	-32.70
COC1=CC=C(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1F	REAL300018082212	0	47	0.0	-36.92	381.42	8.24	-28.68
COC1=CC=C(C([NH2+]C2CCN(C3=CC=CC=C3OC)CC2)C(=O)[O-])C=C1F	REAL300018082213	0	53	0.0	-35.03	406.88	8.20	-26.83
COC1=CC=C(C([NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1F	REAL300018082214	0	40	0.0	-33.59	341.70	9.33	-24.26
COC1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082215	0	39	0.0	-41.44	349.85	9.30	-32.14
COC1=CC=C(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082216	0	40	0.0	-39.41	347.42	9.54	-29.87
COC1=CC=C(C([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082217	0	50	0.0	-37.83	412.33	9.96	-27.87
COC1=CC=C(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])C=C1F	REAL300018082219	0	42	0.0	-35.18	367.59	9.35	-25.83
COC1=CC=C(C([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1F	REAL300018082220	0	42	0.0	-30.56	364.77	9.25	-21.31
COC1=CC=C(C([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])C=C1F	REAL300018082221	0	42	0.0	-48.69	363.32	6.90	-41.79
COC1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1F	REAL300018082222	1	39	0.0	-42.11	351.16	9.42	-32.69
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CCO1	REAL300018082226	0	44	0.0	-33.69	343.10	6.90	-26.79
COC1=CC=C(C([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])C=C1F	REAL300018082227	0	47	0.0	-33.54	360.12	7.43	-26.11
COC1=CC=C(C([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])C=C1F	REAL300018082228	0	47	0.0	-33.64	373.82	10.81	-22.83
COC1=CC=C(C([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])C=C1F	REAL300018082229	0	56	0.0	-31.98	400.95	11.48	-20.50
COC1=CC=C(C([NH2+]C(C)CC(C)CC(C)C)C(=O)[O-])C=C1F	REAL300018082230	0	51	0.0	-33.75	381.95	9.67	-24.08
COC1=CC=C(C([NH2+]CC(C)C2=CC=C(C)C=C2)C(=O)[O-])C=C1F	REAL300018082231	0	46	0.0	-35.87	368.55	10.27	-25.60
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(C(C)(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082232	0	53	0.0	-33.52	409.85	10.24	-23.28
COC1=CC=C(C([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082234	0	50	0.0	-36.63	391.51	9.45	-27.18
COC1=CC=C(C([NH2+]CC(C)C2CCCCC2)C(=O)[O-])C=C1F	REAL300018082235	0	49	0.0	-34.27	365.65	9.70	-24.57
COC1=CC=C(C([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])C=C1F	REAL300018082236	0	42	0.0	-43.30	363.97	3.24	-40.06
COC1=CC=C(C([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])C=C1F	REAL300018082237	0	44	0.0	-35.80	361.25	10.22	-25.58
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(C)=C1	REAL300018082238	0	47	0.0	-32.85	375.35	9.08	-23.77
COC1=CC=C(C([NH2+]CC2=CC=C(C)C=C2OC)C(=O)[O-])C=C1F	REAL300018082239	0	44	0.0	-34.37	360.68	8.34	-26.03
COC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])C=C1F	REAL300018082240	0	39	0.0	-33.54	350.85	7.35	-26.19
COC1=CC=C(C([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])C=C1F	REAL300018082241	0	47	0.0	-36.08	375.44	10.62	-25.46
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082243	1	41	0.0	-33.05	355.32	7.11	-25.94
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)S1	REAL300018082244	1	43	0.0	-30.54	364.89	9.75	-20.79
COC1=CC=C(C([NH2+]CC2=CC=C(C)C=N2)C(=O)[O-])C=C1F	REAL300018082245	0	39	0.0	-37.20	327.53	7.13	-30.07
COC1=CC=C(C([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])C=C1F	REAL300018082247	0	42	0.0	-43.24	343.57	9.26	-33.98
COC1=CC=C(C([NH2+]CC2=CC=C(Br)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082248	0	40	0.0	-35.24	350.60	9.50	-25.74
COC1=CC=C(C([NH2+]CC2=CC=C(Cl)C(OC)=C2)C(=O)[O-])C=C1F	REAL300018082249	0	41	0.0	-37.19	356.63	8.16	-29.03
COC1=CC=C(C([NH2+]CC2=CSC(C)=C2)C(=O)[O-])C=C1F	REAL300018082250	0	37	0.0	-33.29	321.67	8.03	-25.26
COC1=CC=C(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1F	REAL300018082251	0	40	0.0	-31.29	338.45	8.64	-22.65
COC1=CC=C(C([NH2+]CC2=CN=C(C(F)(F)F)S2)C(=O)[O-])C=C1F	REAL300018082253	1	36	0.0	-36.73	335.87	6.69	-30.04
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082254	0	43	0.0	-34.68	355.05	7.43	-27.25
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082256	0	43	0.0	-33.43	352.68	9.71	-23.72
COC1=CC=C(C([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])C=C1F	REAL300018082258	0	41	0.0	-37.99	349.68	9.87	-28.12
COC1=CC=C(C([NH2+]CC2=NC=CN=C2C)C(=O)[O-])C=C1F	REAL300018082259	1	38	0.0	-31.60	314.96	5.01	-26.59
COC1=CC=C(C([NH2+]C2CCC3(CC3)CC2)C(=O)[O-])C=C1F	REAL300018082260	0	44	0.0	-33.22	340.63	8.98	-24.24
COC1=CC=C(C([NH2+]CC2=CC3=C(C=N2)OCCO3)C(=O)[O-])C=C1F	REAL300018082261	1	42	0.0	-33.17	350.56	5.67	-27.50
COC1=CC=C(C([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])C=C1F	REAL300018082262	0	40	0.0	-35.87	354.67	9.25	-26.62
COC1=CC=C(C([NH2+]C2C[C@@H]3CC[C@@H](C3)C2)C(=O)[O-])C=C1F	REAL300018082263	0	44	0.0	-28.70	312.27	9.08	-19.62
COC1=CC=C(C([NH2+]CC2=CN=C3C(C)=CC=CN23)C(=O)[O-])C=C1F	REAL300018082264	0	43	0.0	-34.82	357.46	9.28	-25.54
COC1=CC=C(C([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])C=C1F	REAL300018082266	0	37	0.0	-38.22	326.14	7.16	-31.06
COC1=CC=C(C([NH2+]CC2=CN=C(Br)N2C)C(=O)[O-])C=C1F	REAL300018082267	0	37	0.0	-38.23	330.44	7.18	-31.05
COC1=CC=C(C([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1F	REAL300018082269	0	37	0.0	-38.95	332.17	5.64	-33.31
COC1=CC=C(C([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])C=C1F	REAL300018082271	0	41	0.0	-35.09	348.19	8.30	-26.79
COC1=CC=C(C([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])C=C1F	REAL300018082272	0	41	0.0	-36.95	347.47	8.27	-28.68
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=N1	REAL300018082273	0	43	0.0	-30.88	360.16	5.91	-24.97
COC1=CC=C(C([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])C=C1F	REAL300018082274	0	40	0.0	-34.05	334.96	9.21	-24.84
COC1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1F	REAL300018082275	0	39	0.0	-39.29	343.23	8.06	-31.23
COC1=CC=C(C([NH2+]CC2=CN=C3C=CC=C(C)N23)C(=O)[O-])C=C1F	REAL300018082276	0	43	0.0	-36.96	348.11	9.17	-27.79
COC1=CC=C(C([NH2+]C(C)CCC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1F	REAL300018082277	0	49	0.0	-34.95	393.74	8.99	-25.96
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082278	0	49	0.0	-33.96	385.34	10.30	-23.66
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082279	0	46	0.0	-33.50	363.84	9.52	-23.98
COC1=CC=C(C([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082280	0	40	0.0	-36.14	349.25	9.47	-26.67
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082281	0	44	0.0	-35.78	364.85	8.01	-27.77
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082282	0	49	0.0	-28.39	368.47	7.27	-21.12
COC1=CC=C(C([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])C=C1F	REAL300018082283	0	42	0.0	-39.34	358.52	8.75	-30.59
COC1=CC=C(C([NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])C=C1F	REAL300018082284	0	45	0.0	-39.64	372.35	9.50	-30.14
COC1=CC=C(C([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])C=C1F	REAL300018082285	0	49	0.0	-29.53	358.63	9.61	-19.92
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1C	REAL300018082287	0	50	0.0	-35.35	404.03	10.09	-25.26
COC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])C=C1F	REAL300018082289	0	47	0.0	-31.05	385.01	9.93	-21.12
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C1	REAL300018082290	0	46	0.0	-29.65	341.86	9.14	-20.51
COC1=CC=C(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])C=C1F	REAL300018082292	0	39	0.0	-33.43	322.16	6.49	-26.94
COC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1F	REAL300018082293	0	55	0.0	-32.32	419.94	9.42	-22.90
COC1=CC=C(C(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1F	REAL300018082293	1	55	0.0	-52.31	406.99	9.92	-42.39
COC1=CC=C(C(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1F	REAL300018082293	1	55	0.0	-48.85	409.87	10.64	-38.21
COC1=CC=C(C([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082294	0	40	0.0	-38.71	343.95	9.21	-29.50
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1F	REAL300018082296	0	44	0.0	-31.98	354.12	10.12	-21.86
COC1=CC=C(C([NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1F	REAL300018082299	0	42	0.0	-29.43	344.23	8.48	-20.95
COC1=CC=C(C([NH2+]CC2=C(C)N(C)N=C2)C(=O)[O-])C=C1F	REAL300018082300	0	40	0.0	-33.32	328.47	6.51	-26.81
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1F	REAL300018082301	0	51	0.0	-34.02	408.45	9.31	-24.71
COC1=CC=C(C([NH2+]CC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])C=C1F	REAL300018082302	0	49	0.0	-32.16	405.46	8.45	-23.71
COC1=CC=C(C([NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])C=C1F	REAL300018082303	0	48	0.0	-40.04	382.78	10.72	-29.32
COC1=CC=C(C([NH2+]C2CC3CCC(C3)C2)C(=O)[O-])C=C1F	REAL300018082304	0	44	0.0	-30.22	313.29	9.14	-21.08
COC1=CC=C(C([NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1F	REAL300018082305	0	53	0.0	-30.06	389.89	12.24	-17.82
COC1=CC=C(C([NH2+]C2CC(C(C)(C)C)C2)C(=O)[O-])C=C1F	REAL300018082307	0	46	0.0	-36.02	346.88	8.61	-27.41
COC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3C(OC)=C2)C(=O)[O-])C=C1F	REAL300018082309	0	47	0.0	-35.92	385.58	9.91	-26.01
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082310	0	43	0.0	-36.54	356.09	6.69	-29.85
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082311	0	44	0.0	-35.87	367.56	8.57	-27.30
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082312	0	47	0.0	-37.50	376.62	8.90	-28.60
COC1=CC=C(C([NH2+]CC2=CC(C3CC3)=NN2C)C(=O)[O-])C=C1F	REAL300018082313	0	44	0.0	-35.41	363.44	7.97	-27.44
COC1=CC=C(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1F	REAL300018082314	0	46	0.0	-48.13	343.83	7.80	-40.33
COC1=CC=C(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1F	REAL300018082314	1	46	0.0	-59.61	349.71	8.01	-51.60
COC1=CC=C(C([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])C=C1F	REAL300018082315	0	53	0.0	-31.39	378.16	10.14	-21.25
COC1=CC=C(C([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018082316	0	46	0.0	-31.63	361.32	9.94	-21.69
COC1=CC=C(C([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])C=C1F	REAL300018082317	0	45	0.0	-40.23	363.90	9.35	-30.88
COC1=CC=C(C([NH2+]CC2=CC=CC3=C(OC)C=CC=C23)C(=O)[O-])C=C1F	REAL300018082318	0	47	0.0	-35.13	375.08	9.66	-25.47
COC1=CC=C(C([NH2+]CC2=CC=NN2CC2CC2)C(=O)[O-])C=C1F	REAL300018082319	0	44	0.0	-33.44	362.47	8.27	-25.17
COC1=CC=C(C([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])C=C1F	REAL300018082320	0	45	0.0	-35.49	361.49	8.60	-26.89
COC1=CC=C(C([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082321	0	46	0.0	-33.71	370.01	10.19	-23.52
COC1=CC=C(C([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])C=C1F	REAL300018082323	0	48	0.0	-37.38	389.51	11.31	-26.07
COC1=CC=C(C([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])C=C1F	REAL300018082324	0	51	0.0	-35.13	368.70	7.76	-27.37
COC1=CC=C(C([NH2+]CC2=CN=CC(OC)=C2C)C(=O)[O-])C=C1F	REAL300018082325	0	43	0.0	-35.08	348.43	6.36	-28.72
COC1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1F	REAL300018082327	0	40	0.0	-41.35	352.78	9.57	-31.78
COC1=CC=C(C([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1F	REAL300018082329	0	37	0.0	-37.64	340.04	8.56	-29.08
COC1=CC=C(C([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])C=C1F	REAL300018082330	0	44	0.0	-35.12	362.64	8.87	-26.25
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300018082331	0	47	0.0	-36.72	363.54	7.64	-29.08
COC1=CC=C(C([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082332	0	37	0.0	-38.15	340.43	8.43	-29.72
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(C)=C1	REAL300018082333	0	50	0.0	-33.12	393.77	9.79	-23.33
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OC3CC3)=C2)C(=O)[O-])C=C1F	REAL300018082335	0	49	0.0	-38.31	400.90	9.17	-29.14
COC1=CC=C(C([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])C=C1F	REAL300018082336	0	50	0.0	-33.51	367.16	9.81	-23.70
COC1=CC=C(C([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1F	REAL300018082337	0	39	0.0	-38.87	340.53	7.38	-31.49
COC1=CC=C(C([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])C=C1F	REAL300018082338	0	47	0.0	-32.74	361.59	10.29	-22.45
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300018082340	0	49	0.0	-33.37	357.43	9.04	-24.33
COC1=CC=C(C([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])C=C1F	REAL300018082341	0	47	0.0	-37.03	361.35	10.28	-26.75
COC1=CC=C(C([NH2+]CC2=CN(C)N=C2C(F)F)C(=O)[O-])C=C1F	REAL300018082342	0	40	0.0	-39.87	341.89	6.96	-32.91
COC1=CC=C(C([NH2+]C(C)C2CCCCCC2)C(=O)[O-])C=C1F	REAL300018082343	0	49	0.0	-31.44	353.84	9.48	-21.96
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300018082345	0	52	0.0	-34.87	372.00	9.51	-25.36
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])C=C1F	REAL300018082346	0	45	0.0	-32.49	354.09	8.17	-24.32
COC1=CC=C(C([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])C=C1F	REAL300018082347	0	44	0.0	-38.22	366.71	10.49	-27.73
COC1=CC=C(C([NH2+]C(C)CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1F	REAL300018082348	0	46	0.0	-41.91	374.65	10.00	-31.91
COC1=CC=C(C([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1F	REAL300018082349	0	42	0.0	-44.78	363.97	3.23	-41.55
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082350	0	43	0.0	-33.13	350.31	7.60	-25.53
COC1=CC=C(C([NH2+]CC2=CC3=CC=C(C)C=C3N2)C(=O)[O-])C=C1F	REAL300018082351	0	44	0.0	-35.73	363.06	8.88	-26.85
COC1=CC=C(C([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])C=C1F	REAL300018082352	0	41	0.0	-34.59	336.28	6.89	-27.70
COC1=CC=C(C([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1F	REAL300018082355	0	53	0.0	-35.88	399.52	11.61	-24.27
COC1=CC=C(C([NH2+]C2CCC(C(C)C)C2)C(=O)[O-])C=C1F	REAL300018082356	0	46	0.0	-31.34	352.73	9.03	-22.31
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082358	0	53	0.0	-35.16	426.20	13.00	-22.16
COC1=CC=C(C([NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082359	0	46	0.0	-42.71	385.49	11.85	-30.86
COC1=CC=C(C([NH2+]C2CCCC(C)CC2)C(=O)[O-])C=C1F	REAL300018082360	0	46	0.0	-33.41	340.67	8.67	-24.74
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)CC1	REAL300018082361	0	49	0.0	-34.55	358.42	9.31	-25.24
COC1=CC=C(C([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])C=C1F	REAL300018082362	0	49	0.0	-33.20	349.44	8.84	-24.36
COC1=CC=C(C([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])C=C1F	REAL300018082363	0	55	0.0	-34.38	390.63	10.20	-24.18
COC1=CC=C(C([NH2+]C2CCN(C)C(C)C2)C(=O)[O-])C=C1F	REAL300018082364	0	45	0.0	-33.22	343.00	5.73	-27.49
COC1=CC=C(C(NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1F	REAL300018082364	1	45	0.0	-57.34	339.86	6.67	-50.67
COC1=CC=C(C(NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1F	REAL300018082364	1	45	0.0	-48.74	340.79	7.47	-41.27
COC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082366	0	44	0.0	-41.12	374.16	8.82	-32.30
COC1=CC=C(C([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])C=C1F	REAL300018082367	0	44	0.0	-37.13	373.70	6.57	-30.56
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(Br)=C1	REAL300018082368	1	41	0.0	-28.01	354.95	8.09	-19.92
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082369	0	44	0.0	-33.86	364.24	7.98	-25.88
COC1=CC=C(C([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082371	0	48	0.0	-36.99	411.70	12.42	-24.57
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082372	0	54	0.0	-41.79	416.49	9.19	-32.60
COC1=CC=C(C([NH2+]CCC2=CC=C(C)C=C2)C(=O)[O-])C=C1F	REAL300018082373	0	43	0.0	-37.47	354.02	9.77	-27.70
COC1=CC=C(C([NH2+]CC2=CC(OC)=C(OC)C=C2C)C(=O)[O-])C=C1F	REAL300018082374	0	48	0.0	-36.21	382.71	8.06	-28.15
COC1=CC=C(C([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])C=C1F	REAL300018082375	0	44	0.0	-32.19	350.31	10.20	-21.99
COC1=CC=C(C([NH2+]CC2=CC(Br)=C(C)S2)C(=O)[O-])C=C1F	REAL300018082376	0	37	0.0	-32.71	341.77	8.76	-23.95
COC1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1F	REAL300018082377	0	40	0.0	-43.10	344.48	9.19	-33.91
COC1=CC=C(C([NH2+]CCC2=CC(C)=CC(C)=C2)C(=O)[O-])C=C1F	REAL300018082378	0	46	0.0	-37.42	375.43	10.42	-27.00
COC1=CC=C(C([NH2+]C(C)CC2=CC=C(OC)C(OC)=C2C)C(=O)[O-])C=C1F	REAL300018082379	0	54	0.0	-43.11	420.81	9.37	-33.74
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(OC)C(F)=C3)C=N2)C=C1	REAL300018082380	0	48	0.0	-41.34	399.43	8.82	-32.52
COC1=CC=C(C([NH2+]C(C)CCC2=CSC=C2)C(=O)[O-])C=C1F	REAL300018082381	0	43	0.0	-35.07	353.69	9.28	-25.79
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082382	0	54	0.0	-31.55	431.42	8.99	-22.56
COC1=CC=C(C([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1F	REAL300018082383	0	50	0.0	-34.66	403.52	11.63	-23.03
COC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1F	REAL300018082384	0	43	0.0	-36.74	365.36	6.49	-30.25
COC1=CC=C(C([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])C=C1F	REAL300018082385	0	43	0.0	-36.63	348.91	7.35	-29.28
COC1=CC=C(C([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])C=C1F	REAL300018082386	0	42	0.0	-40.70	355.42	7.44	-33.26
COC1=CC=C(C([NH2+]C(C)CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1F	REAL300018082387	0	46	0.0	-37.70	378.51	10.49	-27.21
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082388	0	49	0.0	-33.73	385.31	10.73	-23.00
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082389	0	51	0.0	-30.99	389.27	6.50	-24.49
COC1=CC=C(C([NH2+]CCCC2=CN(C)N=C2)C(=O)[O-])C=C1F	REAL300018082390	0	43	0.0	-40.38	355.61	7.62	-32.76
COC1=CC=C(C([NH2+]CC2=CN=C(N3CCN(C)CC3)N=C2)C(=O)[O-])C=C1F	REAL300018082391	0	52	0.0	-38.76	414.50	6.60	-32.16
COC1=CC=C(C([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C(=O)[O-])C=C1F	REAL300018082392	0	48	0.0	-36.75	399.83	11.76	-24.99
COC1=CC=C(C([NH2+]CC2=CC=C(F)N=C2)C(=O)[O-])C=C1F	REAL300018082396	0	36	0.0	-38.00	312.39	6.48	-31.52
COC1=CC=C(C([NH2+]C2CCC3COCCC3C2)C(=O)[O-])C=C1F	REAL300018082397	0	48	0.0	-34.78	361.96	7.62	-27.16
COC1=CC=C(C([NH2+]C2CC3(C2)COC(C)(C)C3)C(=O)[O-])C=C1F	REAL300018082398	0	48	0.0	-39.04	374.15	7.82	-31.22
COC1=CC=C(C([NH2+]C2CC3(C2)COC(C)C3)C(=O)[O-])C=C1F	REAL300018082399	0	45	0.0	-39.24	355.12	7.18	-32.06
COC1=CC=C(C([NH2+]C2CCOC3=CC=CC=C3C2)C(=O)[O-])C=C1F	REAL300018082400	0	45	0.0	-35.38	355.10	8.54	-26.84
COC1=CC=C(C([NH2+]C2CCCC3=C(C=CS3)C2)C(=O)[O-])C=C1F	REAL300018082401	0	44	0.0	-37.43	353.95	9.47	-27.96
COC1=CC=C(C([NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])C=C1F	REAL300018082402	0	43	0.0	-37.08	349.50	9.55	-27.53
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1	REAL300018082403	0	44	0.0	-31.04	350.41	8.07	-22.97
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082406	0	43	0.0	-30.89	342.73	9.53	-21.36
COC1=CC=C(C([NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])C=C1F	REAL300018082407	0	40	0.0	-37.12	338.93	9.04	-28.08
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])C=C1F	REAL300018082408	0	46	0.0	-32.32	360.66	10.03	-22.29
COC1=CC=C(C([NH2+]CC2=CN=C3CCCCCN23)C(=O)[O-])C=C1F	REAL300018082409	0	47	0.0	-37.49	365.88	8.68	-28.81
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=C(OC)C(F)=C3)=CC2=C1	REAL300018082410	0	44	0.0	-37.07	378.05	9.13	-27.94
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(OC)C(F)=C3)=CC=C21	REAL300018082412	0	49	0.0	-34.34	389.11	8.90	-25.44
COC1=CC=C(C([NH2+]C2CCC3(COC(C)(C)C3)CC2)C(=O)[O-])C=C1F	REAL300018082413	0	54	0.0	-34.67	397.63	8.61	-26.06
COC1=CC=C(C([NH2+]CC2=CC=C(SC)C(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082414	0	41	0.0	-35.04	366.33	9.78	-25.26
COC1=CC=C(C([NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082415	0	47	0.0	-33.80	378.14	10.92	-22.88
COC1=CC=C(C([NH2+]C2CCCC3=C(C=CC=C3OC)C2)C(=O)[O-])C=C1F	REAL300018082416	0	51	0.0	-38.26	389.27	9.66	-28.60
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC=N1	REAL300018082417	0	43	0.0	-39.29	360.05	5.95	-33.34
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])C=C1F	REAL300018082418	0	47	0.0	-33.02	378.16	10.93	-22.09
COC1=CC=C(C([NH2+]CC2=CC=C(N3C=CC(C)=N3)C=C2C)C(=O)[O-])C=C1F	REAL300018082419	0	50	0.0	-39.77	401.23	10.55	-29.22
COC1=CC=C(C([NH2+]C2CC(C3CCC3)C2)C(=O)[O-])C=C1F	REAL300018082420	0	44	0.0	-36.06	342.87	9.09	-26.97
COC1=CC=C(C([NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(=O)[O-])C=C1F	REAL300018082423	0	48	0.0	-36.00	383.21	9.39	-26.61
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082424	0	44	0.0	-37.95	368.51	8.58	-29.37
COC1=CC=C(C([NH2+]CC2=CC(C(C)C)=CC=C2O)C(=O)[O-])C=C1F	REAL300018082425	0	47	0.0	-32.74	377.69	7.59	-25.15
COC1=CC=C(C([NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])C=C1F	REAL300018082426	0	40	0.0	-37.38	346.62	6.21	-31.17
COC1=CC=C(C([NH2+]C2CCC3(CCC3)CC2)C(=O)[O-])C=C1F	REAL300018082427	0	47	0.0	-35.33	353.72	9.31	-26.02
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(O)=C2)C(=O)[O-])C=C1F	REAL300018082428	0	41	0.0	-36.65	342.20	6.22	-30.43
COC1=CC=C(C([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])C=C1F	REAL300018082431	0	42	0.0	-38.07	346.97	8.16	-29.91
COC1=CC=C(C([NH2+]CC2=CC=C3COCCC3=C2)C(=O)[O-])C=C1F	REAL300018082433	0	45	0.0	-35.15	363.52	8.37	-26.78
COC1=CC=C(C([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1F	REAL300018082434	0	45	0.0	-39.59	375.40	8.15	-31.44
COC1=CC=C(C([NH2+]C2CC(COCC3=CC=CC=C3)C2)C(=O)[O-])C=C1F	REAL300018082435	0	51	0.0	-40.84	407.43	10.01	-30.83
COC1=CC=C(C([NH2+]CC2=CC=CC(SC)=C2)C(=O)[O-])C=C1F	REAL300018082436	0	41	0.0	-32.95	351.32	9.33	-23.62
COC1=CC=C(C([NH2+]C2CCC3=CC(Cl)=CC=C3C2)C(=O)[O-])C=C1F	REAL300018082437	0	44	0.0	-38.84	363.71	10.29	-28.55
COC1=CC=C(C([NH2+]C2CC3C(C2)C3(C)C)C(=O)[O-])C=C1F	REAL300018082438	0	44	0.0	-30.42	335.38	8.78	-21.64
COC1=CC=C(C([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1F	REAL300018082440	1	44	0.0	-30.71	375.00	10.53	-20.18
COC1=CC=C(C([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])C=C1F	REAL300018082441	0	45	0.0	-36.71	371.66	9.28	-27.43
COC1=CC=C(C([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])C=C1F	REAL300018082442	0	41	0.0	-30.30	360.74	8.06	-22.24
COC1=CC=C(C([NH2+]CC2=CC=C(N3C=CN=C3C)C=C2C)C(=O)[O-])C=C1F	REAL300018082443	0	50	0.0	-38.34	400.65	11.24	-27.10
COC1=CC=C(C([NH2+]CC2=CC=C(N3C=NC(C)=C3C)C=C2)C(=O)[O-])C=C1F	REAL300018082444	0	50	0.0	-40.65	407.52	11.89	-28.76
COC1=CC=C(C([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(=O)[O-])C=C1F	REAL300018082445	0	51	0.0	-32.81	404.78	12.31	-20.50
COC1=CC=C(C([NH2+]C(C)CC2=CC=C(Cl)C=C2F)C(=O)[O-])C=C1F	REAL300018082448	0	43	0.0	-32.63	364.12	10.10	-22.53
COC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C(=O)[O-])C=C1F	REAL300018082449	0	47	0.0	-38.47	389.88	9.40	-29.07
COC1=CC=C(C([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])C=C1F	REAL300018082452	0	48	0.0	-33.83	381.20	8.78	-25.05
COC1=CC=C(C([NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082453	1	40	0.0	-35.28	353.41	7.38	-27.90
COC1=CC=C(C([NH2+]CC2=CC=CC(C)=N2)C(=O)[O-])C=C1F	REAL300018082455	0	39	0.0	-29.75	326.37	7.07	-22.68
COC1=CC=C(C([NH2+]CC2=CC=C(C)C(OC)=N2)C(=O)[O-])C=C1F	REAL300018082457	0	43	0.0	-30.38	357.11	5.67	-24.71
COC1=CC=C(C([NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1F	REAL300018082458	0	40	0.0	-31.84	347.76	9.18	-22.66
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])C=C1F	REAL300018082459	0	45	0.0	-35.13	357.33	8.31	-26.82
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082460	0	44	0.0	-32.81	376.52	9.07	-23.74
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082462	0	46	0.0	-33.54	371.91	8.09	-25.45
COC1=CC=C(C([NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])C=C1F	REAL300018082463	0	50	0.0	-33.44	393.83	9.30	-24.14
COC1=CC=C(C([NH2+]C2CC3CCCCC3C2)C(=O)[O-])C=C1F	REAL300018082464	0	47	0.0	-32.45	353.49	9.46	-22.99
COC1=CC=C(C([NH2+]CC2=CC=CC(C(C)(C)C)=C2OC)C(=O)[O-])C=C1F	REAL300018082465	0	53	0.0	-32.41	404.76	10.07	-22.34
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=N1	REAL300018082467	0	43	0.0	-36.29	352.22	5.50	-30.79
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(OC)C(F)=C3)C2)=C1	REAL300018082469	0	48	0.0	-37.55	379.77	9.22	-28.33
COC1=CC=C(C([NH2+]C2CC(C3=NC(C)=NO3)C2)C(=O)[O-])C=C1F	REAL300018082470	0	42	0.0	-48.56	348.74	5.71	-42.85
COC1=CC=C(C([NH2+]C2CC(C3CCOCC3)C2)C(=O)[O-])C=C1F	REAL300018082471	0	48	0.0	-38.39	372.71	8.03	-30.36
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082472	0	43	0.0	-37.14	354.59	9.13	-28.01
COC1=CC=C(C([NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])C=C1F	REAL300018082473	0	44	0.0	-41.33	366.90	8.24	-33.09
COC1=CC=C(C([NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])C=C1F	REAL300018082474	0	50	0.0	-32.80	400.29	11.78	-21.02
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(C)=C1	REAL300018082475	0	50	0.0	-39.66	391.32	9.39	-30.27
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=NN1CC	REAL300018082476	0	46	0.0	-31.66	368.81	8.18	-23.48
COC1=CC=C(C([NH2+]CC2=C(C)OC=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300018082477	0	40	0.0	-28.21	350.47	8.09	-20.12
COC1=CC=C(C([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082478	0	43	0.0	-33.96	364.31	9.84	-24.12
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082479	0	43	0.0	-39.57	374.06	9.10	-30.47
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C(C)=C1	REAL300018082480	0	53	0.0	-37.58	407.99	10.11	-27.47
COC1=CC=C(C([NH2+]C2CC3CCCCCC3C2)C(=O)[O-])C=C1F	REAL300018082481	0	50	0.0	-34.26	361.66	9.79	-24.47
COC1=CC=C(C([NH2+]C2CCC(C)C3=CC=CC=C3C2)C(=O)[O-])C=C1F	REAL300018082482	0	50	0.0	-36.98	371.43	10.52	-26.46
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082483	0	44	0.0	-35.81	376.68	10.73	-25.08
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=CC=C1O	REAL300018082484	0	54	0.0	-40.41	425.82	8.40	-32.01
COC1=CC=C(C([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(=O)[O-])C=C1F	REAL300018082485	0	43	0.0	-32.80	366.86	10.89	-21.91
COC1=CC=C(C([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(=O)[O-])C=C1F	REAL300018082486	0	41	0.0	-34.90	367.50	9.77	-25.13
COC1=CC=C(C([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])C=C1F	REAL300018082487	0	45	0.0	-34.89	363.51	8.37	-26.52
COC1=CC=C(C([NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C(=O)[O-])C=C1F	REAL300018082488	0	43	0.0	-37.50	371.66	10.45	-27.05
COC1=CC=C(C([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])C=C1F	REAL300018082489	0	43	0.0	-38.98	363.80	6.42	-32.56
COC1=CC=C(C([NH2+]CC=CC2=CC=NC=C2)C(=O)[O-])C=C1F	REAL300018082490	0	40	0.0	-38.42	337.16	7.84	-30.58
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)N=C1	REAL300018082491	0	42	0.0	-29.52	347.70	7.86	-21.66
COC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OCCO)=C2)C(=O)[O-])C=C1F	REAL300018082492	0	49	0.0	-39.36	401.15	5.29	-34.07
COC1=CC=C(C([NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])C=C1F	REAL300018082493	0	42	0.0	-37.96	350.81	8.77	-29.19
COC1=CC=C(C([NH2+]CC2=C3OC(C)=CC3=CC=C2)C(=O)[O-])C=C1F	REAL300018082494	0	43	0.0	-37.70	360.34	9.45	-28.25
COC1=CC=C(C([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])C=C1F	REAL300018082495	0	40	0.0	-39.67	354.10	9.32	-30.35
COC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C(=O)[O-])C=C1F	REAL300018082496	0	47	0.0	-35.52	384.70	9.17	-26.35
COC1=CC=C(C([NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])C=C1F	REAL300018082498	0	40	0.0	-36.77	339.85	7.05	-29.72
COC1=CC=C(C([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])C=C1F	REAL300018082500	0	44	0.0	-38.53	376.34	9.60	-28.93
COC1=CC=C(C([NH2+]CC2=NN(CC(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082502	1	40	0.0	-34.25	347.38	7.21	-27.04
COC1=CC=C(C([NH2+]CC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])C=C1F	REAL300018082503	1	41	0.0	-34.87	357.05	7.75	-27.12
COC1=CC=C(C([NH2+]C2CC3CCCC(C3)C2)C(=O)[O-])C=C1F	REAL300018082505	0	47	0.0	-35.90	343.93	9.07	-26.83
COC1=CC=C(C([NH2+]CC2=C3OC=CC3=C(F)C=C2)C(=O)[O-])C=C1F	REAL300018082507	0	40	0.0	-32.54	342.95	8.65	-23.89
COC1=CC=C(C([NH2+]CC2=C3OC=CC3=CC(Cl)=C2)C(=O)[O-])C=C1F	REAL300018082508	0	40	0.0	-35.65	353.87	9.12	-26.53
COC1=CC=C(C([NH2+]CC=CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018082509	0	41	0.0	-35.08	342.14	9.61	-25.47
COC1=CC=C(C([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(=O)[O-])C=C1F	REAL300018082512	0	53	0.0	-32.89	411.66	12.09	-20.80
COC1=CC=C(C([NH2+]CC2=CN(C3CCC3)N=C2C)C(=O)[O-])C=C1F	REAL300018082513	0	47	0.0	-33.46	377.00	8.62	-24.84
COC1=CC=C(C([NH2+]CC=CC2=CC=CC=C2OC)C(=O)[O-])C=C1F	REAL300018082514	0	45	0.0	-34.93	370.52	8.96	-25.97
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(=O)[O-])C=C1F	REAL300018082515	0	45	0.0	-38.63	378.99	8.63	-30.00
COC1=CC=C(C([NH2+]C2CCCN(C(C)(C)C)C2)C(=O)[O-])C=C1F	REAL300018082517	0	51	0.0	-30.58	373.94	6.79	-23.79
COC1=CC=C(C(NC2CCC[N@@H+](C(C)(C)C)C2)C(=O)[O-])C=C1F	REAL300018082517	1	51	0.0	-49.85	370.55	7.75	-42.10
COC1=CC=C(C(NC2CCC[N@H+](C(C)(C)C)C2)C(=O)[O-])C=C1F	REAL300018082517	1	51	0.0	-47.10	365.97	8.27	-38.83
COC1=CC=C(C([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082518	0	50	0.0	-34.51	411.97	12.72	-21.79
COC1=CC=C(C([NH2+]C2CCC(C3=CC=C(C)C=C3)CC2)C(=O)[O-])C=C1F	REAL300018082520	0	53	0.0	-35.69	407.25	11.76	-23.93
COC1=CC=C(C([NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])C=C1F	REAL300018082521	0	40	0.0	-36.32	339.09	9.13	-27.19
COC1=CC=C(C([NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])C=C1F	REAL300018082522	0	40	0.0	-35.96	348.03	9.68	-26.28
COC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(=O)[O-])C=C1F	REAL300018082523	0	46	0.0	-37.46	378.59	9.92	-27.54
COC1=CC=C(C([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])C=C1F	REAL300018082524	0	43	0.0	-36.63	348.91	7.35	-29.28
COC1=CC=C(C([NH2+]C2CC3CC=CCC3C2)C(=O)[O-])C=C1F	REAL300018082525	0	45	0.0	-33.00	345.12	9.36	-23.64
COC1=CC=C(C([NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C(=O)[O-])C=C1F	REAL300018082526	0	43	0.0	-35.12	355.25	9.90	-25.22
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=N1	REAL300018082527	0	41	0.0	-39.19	348.25	7.53	-31.66
COC1=CC=C(C([NH2+]CC2=CC3=NNC=C3C=C2)C(=O)[O-])C=C1F	REAL300018082528	0	40	0.0	-37.06	337.35	7.02	-30.04
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)C=C1	REAL300018082529	0	49	0.0	-32.68	387.85	10.85	-21.83
COC1=CC=C(C([NH2+]C2CCC3(C2)CCOCC3)C(=O)[O-])C=C1F	REAL300018082530	0	48	0.0	-35.82	361.20	7.54	-28.28
COC1=CC=C(C([NH2+]CC2=CC=CC3=C2CCCC3)C(=O)[O-])C=C1F	REAL300018082532	0	47	0.0	-32.40	366.46	10.66	-21.74
COC1=CC=C(C([NH2+]CC(C)=CC2=CC(F)=CC(F)=C2)C(=O)[O-])C=C1F	REAL300018082533	0	44	0.0	-35.97	369.66	10.17	-25.80
COC1=CC=C(C([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(=O)[O-])C=C1F	REAL300018082534	0	43	0.0	-46.14	362.18	8.20	-37.94
COC1=CC=C(C([NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C(=O)[O-])C=C1F	REAL300018082535	0	46	0.0	-33.49	366.15	10.99	-22.50
COC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C(=O)[O-])C=C1F	REAL300018082536	0	55	0.0	-35.21	432.99	9.87	-25.34
COC1=CC=C(C([NH2+]CC2=CC=C3NC=CC3=C2OC)C(=O)[O-])C=C1F	REAL300018082537	0	45	0.0	-30.75	370.12	7.67	-23.08
COC1=CC=C(C([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(=O)[O-])C=C1F	REAL300018082538	0	50	0.0	-35.92	396.78	5.25	-30.67
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OC)C(F)=C2)=C1C	REAL300018082539	0	46	0.0	-32.79	371.79	8.13	-24.66
COC1=CC=C(C([NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C(=O)[O-])C=C1F	REAL300018082540	0	46	0.0	-40.12	383.26	9.65	-30.47
COC1=CC=C(C([NH2+]C2CCC2CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018082541	0	47	0.0	-35.91	376.51	11.25	-24.66
CCCN1N=C(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(OC)C(F)=C1	REAL300018082542	0	46	0.0	-34.20	370.94	8.13	-26.07
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC2=C1OCC2	REAL300018082544	0	44	0.0	-36.99	380.88	12.11	-24.88
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC(Cl)=CC2=C1OCC2	REAL300018082544	1	44	0.0	-34.20	381.45	12.10	-22.10
CC(CC1=CC=CC=C1)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082545	0	48	0.0	-38.55	384.63	13.82	-24.73
CC(CC1=CC=CC=C1)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082545	1	48	0.0	-35.81	379.95	13.46	-22.35
CCC1CCCC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300018082546	0	51	0.0	-38.78	375.18	12.89	-25.89
CCC1CCCC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300018082546	1	51	0.0	-33.46	388.86	13.39	-20.07
CC1CCCCC1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082547	0	48	0.0	-40.52	358.13	12.30	-28.22
CC1CCCCC1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082547	1	48	0.0	-33.02	360.20	12.37	-20.65
CC(C)C1=CN=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082548	1	44	0.0	-36.88	369.44	10.90	-25.98
CC(C)C1=CN=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082548	1	44	0.0	-34.02	376.07	11.00	-23.02
O=C([O-])C[N@H+](CC=CC1=CC=C(F)C=C1F)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082549	0	43	0.0	-34.79	365.95	12.81	-21.98
O=C([O-])C[N@@H+](CC=CC1=CC=C(F)C=C1F)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082549	1	43	0.0	-42.58	365.66	12.80	-29.78
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC2CCC1C2	REAL300018082550	0	46	0.0	-33.04	351.11	12.28	-20.76
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC2CCC1C2	REAL300018082550	1	46	0.0	-38.50	352.53	12.41	-26.09
CC(C)C1=CC=C(CC[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082551	0	51	0.0	-40.95	410.12	14.50	-26.45
CC(C)C1=CC=C(CC[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082551	1	51	0.0	-33.32	410.69	14.49	-18.83
CC1=CN2C=C(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)N=C2C=C1	REAL300018082552	0	45	0.0	-29.44	369.49	12.38	-17.06
CC1=CN2C=C(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)N=C2C=C1	REAL300018082552	1	45	0.0	-36.80	377.35	13.18	-23.62
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2OC=CC2=C1	REAL300018082554	0	42	0.0	-39.86	347.96	11.61	-28.25
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2OC=CC2=C1	REAL300018082554	1	42	0.0	-39.24	355.16	12.03	-27.21
C[NH+](C)CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082555	1	46	0.0	-69.74	385.82	8.46	-61.28
O=C([O-])C[N@H+](CCC1=CC=C(Cl)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082557	0	42	0.0	-36.05	367.35	13.10	-22.95
O=C([O-])C[N@@H+](CCC1=CC=C(Cl)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082557	1	42	0.0	-38.20	360.37	12.66	-25.54
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N(C)N=C1	REAL300018082558	0	42	0.0	-34.06	334.41	9.32	-24.74
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N(C)N=C1	REAL300018082558	1	42	0.0	-35.78	333.72	9.19	-26.59
C[NH+](C)CC1=CC(CN(CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018082560	1	46	0.0	-58.27	374.83	8.47	-49.80
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=CC=N1	REAL300018082561	0	37	0.0	-31.92	310.53	7.52	-24.40
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=CC=N1	REAL300018082561	1	37	0.0	-40.25	311.82	8.00	-32.25
O=C([O-])C[N@H+](CC1=CC=C(C2CCCC2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082562	0	52	0.0	-34.00	411.96	14.92	-19.08
O=C([O-])C[N@@H+](CC1=CC=C(C2CCCC2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082562	1	52	0.0	-34.92	404.72	14.49	-20.43
COC1=CC=C(F)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082563	0	43	0.0	-35.64	361.92	11.25	-24.39
COC1=CC=C(F)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082563	1	43	0.0	-34.55	363.48	11.19	-23.36
O=C([O-])C[N@H+](CC1=CN(CC(F)F)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082564	0	42	0.0	-42.81	364.88	10.67	-32.14
O=C([O-])C[N@@H+](CC1=CN(CC(F)F)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082564	1	42	0.0	-38.83	364.62	10.69	-28.14
O=C([O-])C[N@H+](CC1=CC=C(C2CCC2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082565	0	49	0.0	-34.23	393.80	14.30	-19.93
O=C([O-])C[N@@H+](CC1=CC=C(C2CCC2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082565	1	49	0.0	-35.25	386.37	13.86	-21.39
CC1=NOC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082566	0	38	0.0	-40.71	323.27	9.76	-30.95
CC1=NOC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082566	1	38	0.0	-41.11	325.40	9.82	-31.29
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=CS1	REAL300018082567	0	39	0.0	-33.08	334.68	11.47	-21.61
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=CS1	REAL300018082567	1	39	0.0	-33.83	336.65	11.48	-22.35
CC1=CN=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082568	1	38	0.0	-37.51	327.99	9.54	-27.97
CC1=CN=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082568	1	38	0.0	-34.47	334.64	9.64	-24.83
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2CCCC2=N1	REAL300018082569	0	45	0.0	-27.95	361.22	11.29	-16.66
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2CCCC2=N1	REAL300018082569	1	45	0.0	-34.01	369.03	12.14	-21.87
O=C([O-])C[N@H+](CC1=CC=NN1C1CCCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082570	0	49	0.0	-37.72	386.12	11.90	-25.82
O=C([O-])C[N@@H+](CC1=CC=NN1C1CCCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082570	1	49	0.0	-37.37	387.33	11.78	-25.59
O=C([O-])C[N@H+](CC1=CC=C(C2CC2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082572	0	46	0.0	-34.56	377.25	13.82	-20.74
O=C([O-])C[N@@H+](CC1=CC=C(C2CC2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082572	1	46	0.0	-35.36	369.83	13.39	-21.97
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082573	0	40	0.0	-28.52	332.51	8.99	-19.53
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=N1	REAL300018082573	1	40	0.0	-47.68	333.64	9.24	-38.44
O=C([O-])C[N@H+](CC1=CN=NN1C1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082574	1	45	0.0	-31.69	355.88	10.26	-21.43
O=C([O-])C[N@@H+](CC1=CN=NN1C1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082574	1	45	0.0	-35.84	371.77	10.87	-24.97
CCC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1O	REAL300018082575	0	46	0.0	-37.74	378.13	10.57	-27.17
CCC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1O	REAL300018082575	1	46	0.0	-33.59	379.69	10.53	-23.06
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2OCCOC2=C1	REAL300018082576	0	45	0.0	-36.17	365.17	10.43	-25.74
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2OCCOC2=C1	REAL300018082576	1	45	0.0	-38.63	372.52	10.87	-27.76
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1OC	REAL300018082577	0	47	0.0	-38.86	386.76	10.92	-27.94
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1OC	REAL300018082577	1	47	0.0	-39.96	386.76	10.91	-29.05
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1C(F)(F)F	REAL300018082578	0	42	0.0	-40.23	348.56	12.44	-27.79
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1C(F)(F)F	REAL300018082578	1	42	0.0	-35.13	355.63	12.64	-22.49
CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1OC	REAL300018082579	0	50	0.0	-37.61	401.26	11.39	-26.22
CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1OC	REAL300018082579	1	50	0.0	-39.95	408.62	11.83	-28.12
CC1=CC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082580	0	42	0.0	-33.23	338.81	12.19	-21.04
CC1=CC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082580	1	42	0.0	-33.67	344.41	12.32	-21.35
CCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082581	0	45	0.0	-35.06	363.44	12.71	-22.35
CCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082581	1	45	0.0	-34.15	370.67	13.15	-21.00
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082582	0	45	0.0	-35.01	359.10	12.49	-22.52
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082582	1	45	0.0	-34.01	366.45	12.93	-21.08
CN1C=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082583	0	39	0.0	-41.42	331.23	9.51	-31.91
CN1C=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082583	1	39	0.0	-39.20	331.50	9.48	-29.72
CC1=NN(C)C(Cl)=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082584	1	42	0.0	-35.58	364.55	10.25	-25.33
CC1=NN(C)C(Cl)=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082584	1	42	0.0	-34.09	364.86	10.24	-23.85
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CCC1CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300018082651	0	49	0.0	-39.36	367.86	10.77	-28.59
CCC1CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300018082651	1	49	0.0	-34.13	370.24	10.66	-23.47
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CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1Cl	REAL300018082652	1	42	0.0	-37.07	363.49	12.82	-24.25
CC(C)CN1C=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082653	0	48	0.0	-35.67	394.08	11.89	-23.78
CC(C)CN1C=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082653	1	48	0.0	-38.00	394.20	11.87	-26.13
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CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300018082656	0	42	0.0	-39.17	356.14	12.39	-26.78
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COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1C	REAL300018082657	1	46	0.0	-36.13	377.61	11.77	-24.36
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CC(O)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082658	1	42	0.0	-36.01	360.63	6.76	-29.25
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CC(C)(C)C1=CN=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082666	1	47	0.0	-33.89	393.96	11.48	-22.41
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CC(C)CC(C)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082668	0	47	0.0	-40.90	361.37	12.00	-28.90
CC(C)CC(C)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082668	1	47	0.0	-32.94	365.03	12.15	-20.79
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CC1=CNN=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082670	1	39	0.0	-35.48	324.64	8.53	-26.95
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)NN=C1	REAL300018082670	1	39	0.0	-35.39	325.09	8.73	-26.66
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)NN=C1	REAL300018082670	1	39	0.0	-38.32	329.36	8.83	-29.49
CC1=NN(C(C)C)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082671	0	48	0.0	-38.01	388.07	11.44	-26.57
CC1=NN(C(C)C)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082671	1	48	0.0	-38.37	392.19	11.49	-26.88
COC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1F	REAL300018082673	0	43	0.0	-44.07	362.55	11.10	-32.97
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COC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1OC	REAL300018082675	0	47	0.0	-37.03	381.27	10.98	-26.05
COC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1OC	REAL300018082675	1	47	0.0	-28.55	381.39	10.60	-17.95
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CC1=NNC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082678	0	39	0.0	-39.42	325.42	8.74	-30.68
CC1=NNC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082678	1	39	0.0	-39.41	329.09	8.81	-30.60
CC1=NN(C)C2=NC=C(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)C=C12	REAL300018082679	0	47	0.0	-45.04	386.79	10.94	-34.10
CC1=NN(C)C2=NC=C(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)C=C12	REAL300018082679	1	47	0.0	-45.17	394.31	11.37	-33.80
CCN1C=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082680	0	42	0.0	-41.30	352.55	10.35	-30.95
CCN1C=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082680	1	42	0.0	-38.66	352.87	10.33	-28.33
CN1C=NC2=CC(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC=C21	REAL300018082682	0	45	0.0	-37.40	376.35	13.06	-24.34
CN1C=NC2=CC(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC=C21	REAL300018082682	1	45	0.0	-40.62	376.12	13.04	-27.58
CN(C)C1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082683	0	45	0.0	-39.33	366.98	11.75	-27.58
CN(C)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082683	1	45	0.0	-39.27	367.13	11.74	-27.53
CC1=CC=C(O)C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082684	0	42	0.0	-29.22	342.63	7.48	-21.74
CC1=CC=C(O)C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082684	1	42	0.0	-31.96	349.67	7.98	-23.98
CC1=CN=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082685	0	41	0.0	-36.11	334.39	10.42	-25.69
CC1=CN=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082685	1	41	0.0	-37.73	339.28	10.59	-27.14
CN1N=NC2=CC(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC=C21	REAL300018082686	0	44	0.0	-36.85	364.47	9.70	-27.15
CN1N=NC2=CC(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC=C21	REAL300018082686	1	44	0.0	-37.24	364.44	9.71	-27.53
CC(C)N1C=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082687	0	45	0.0	-35.48	371.45	10.88	-24.60
CC(C)N1C=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082687	1	45	0.0	-38.17	371.72	10.87	-27.30
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)OC=C1	REAL300018082688	0	39	0.0	-30.53	314.76	9.84	-20.69
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)OC=C1	REAL300018082688	1	39	0.0	-34.01	330.99	10.63	-23.38
CC(C)N1N=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082689	0	45	0.0	-36.84	365.07	10.42	-26.42
CC(C)N1N=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082689	1	45	0.0	-32.36	353.62	10.13	-22.23
COC1=NC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082690	0	41	0.0	-28.94	343.05	5.91	-23.03
COC1=NC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082690	1	41	0.0	-39.86	350.70	6.95	-32.91
CN1N=NC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082691	1	38	0.0	-43.79	315.97	7.61	-36.18
CN1N=NC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082691	1	38	0.0	-35.89	308.00	7.48	-28.41
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=NC=CN21	REAL300018082692	0	42	0.0	-35.63	346.28	11.62	-24.01
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=NC=CN21	REAL300018082692	1	42	0.0	-45.38	336.87	11.40	-33.98
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=C(C2CC2)N=C1	REAL300018082693	0	44	0.0	-39.73	370.08	11.32	-28.41
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=C(C2CC2)N=C1	REAL300018082693	1	44	0.0	-41.39	370.15	11.31	-30.08
COCCN1C=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082694	0	46	0.0	-37.12	386.44	9.41	-27.71
COCCN1C=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082694	1	46	0.0	-39.55	386.71	9.39	-30.16
CCN1N=NC(C)=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082696	1	44	0.0	-35.81	351.16	8.93	-26.88
CCN1N=NC(C)=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082696	1	44	0.0	-43.81	362.05	9.27	-34.54
O=C([O-])C[N@H+](CCCCCOC1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082697	0	52	0.0	-38.26	423.58	13.72	-24.54
O=C([O-])C[N@@H+](CCCCCOC1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082697	1	52	0.0	-37.70	416.64	13.29	-24.41
CCC1CCCCC1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082698	0	51	0.0	-37.86	383.81	13.19	-24.67
CCC1CCCCC1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082698	1	51	0.0	-32.82	384.78	13.21	-19.61
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCSC1	REAL300018082699	0	40	0.0	-38.72	320.59	10.48	-28.24
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCSC1	REAL300018082699	1	40	0.0	-39.31	327.77	10.86	-28.45
CSC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082700	0	40	0.0	-33.20	354.25	11.16	-22.04
CSC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082700	1	40	0.0	-37.64	348.32	10.78	-26.86
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(C2CC2)=C1	REAL300018082701	0	46	0.0	-34.93	377.22	13.82	-21.11
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(C2CC2)=C1	REAL300018082701	1	46	0.0	-34.49	377.05	13.81	-20.68
CC(C)(C)C1=CSC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082702	1	47	0.0	-37.76	386.73	11.13	-26.63
CC(C)(C)C1=CSC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082702	1	47	0.0	-34.34	393.36	11.24	-23.10
O=C([O-])C[N@H+](CC1=CN=C(C2CCCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082703	0	48	0.0	-34.44	394.58	12.00	-22.44
O=C([O-])C[N@@H+](CC1=CN=C(C2CCCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082703	1	48	0.0	-34.84	394.07	11.94	-22.90
O=C([O-])C[N@H+](CC1=CN=C(C2CC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082704	0	42	0.0	-35.88	366.21	11.40	-24.48
O=C([O-])C[N@@H+](CC1=CN=C(C2CC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082704	1	42	0.0	-35.21	359.90	10.92	-24.29
CC(C)CC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082705	0	47	0.0	-35.32	395.87	11.93	-23.39
CC(C)CC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082705	1	47	0.0	-34.56	389.56	11.53	-23.03
CC(C)C1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082706	0	44	0.0	-35.24	377.15	11.07	-24.17
CC(C)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082706	1	44	0.0	-34.83	370.67	10.66	-24.17
COCCC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082707	0	45	0.0	-36.74	389.90	9.54	-27.20
COCCC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082707	1	45	0.0	-36.27	383.56	9.13	-27.14
O=C([O-])C[N@H+](CC1=CN(CC(F)(F)F)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082708	0	42	0.0	-42.36	370.76	10.84	-31.52
O=C([O-])C[N@@H+](CC1=CN(CC(F)(F)F)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082708	1	42	0.0	-45.48	370.64	10.86	-34.62
O=C([O-])C[N@H+](CC1=NC2=C(CCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082709	1	42	0.0	-29.48	352.24	10.48	-19.00
O=C([O-])C[N@@H+](CC1=NC2=C(CCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082709	1	42	0.0	-38.97	353.53	10.61	-28.36
CC1CCCC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300018082710	0	48	0.0	-37.78	362.53	12.50	-25.28
CC1CCCC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300018082710	1	48	0.0	-33.26	356.92	12.09	-21.17
CC(CCC1=CC=CC=C1)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082711	0	51	0.0	-40.36	406.78	14.64	-25.72
CC(CCC1=CC=CC=C1)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082711	1	51	0.0	-34.50	407.78	14.68	-19.82
CC1=CC=C(CCC[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082712	0	47	0.0	-40.80	387.84	12.17	-28.63
CC1=CC=C(CCC[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082712	1	47	0.0	-40.10	388.41	12.18	-27.92
CC(CC1CCCCC1)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082713	0	54	0.0	-40.04	398.26	13.73	-26.31
CC(CC1CCCCC1)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082713	1	54	0.0	-32.97	400.62	13.66	-19.31
CC1=C(C)C=C2OC(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC2=C1	REAL300018082714	0	48	0.0	-33.41	395.21	13.56	-19.85
CC1=C(C)C=C2OC(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC2=C1	REAL300018082714	1	48	0.0	-41.16	389.33	13.18	-27.98
CC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C(C)(C)C	REAL300018082715	0	47	0.0	-40.12	347.97	11.36	-28.76
CC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C(C)(C)C	REAL300018082715	1	47	0.0	-30.12	347.45	11.47	-18.65
CCC1=NN(C)C(CC)=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082716	0	51	0.0	-36.65	405.38	11.64	-25.01
CCC1=NN(C)C(CC)=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082716	1	51	0.0	-31.41	400.63	11.46	-19.95
O=C([O-])C[N@H+](CC1=CN=C(C2CCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082717	0	45	0.0	-34.59	377.28	11.49	-23.10
O=C([O-])C[N@@H+](CC1=CN=C(C2CCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082717	1	45	0.0	-34.68	376.73	11.42	-23.26
CCC1=C2OC(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC2=CC=C1	REAL300018082718	0	48	0.0	-33.23	399.90	13.78	-19.45
CCC1=C2OC(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC2=CC=C1	REAL300018082718	1	48	0.0	-40.81	393.81	13.40	-27.41
CCCC1CCC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018082719	0	54	0.0	-40.28	401.83	13.86	-26.42
CCCC1CCC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018082719	1	54	0.0	-32.08	397.72	13.49	-18.59
CC(C)C1CCC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018082720	0	54	0.0	-39.26	390.98	13.28	-25.98
CC(C)C1CCC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018082720	1	54	0.0	-32.17	393.05	13.20	-18.97
CC(C)CN1N=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082721	0	48	0.0	-33.82	383.73	11.66	-22.16
CC(C)CN1N=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082721	1	48	0.0	-36.09	378.72	10.84	-25.25
CC1=CC(C)=C(C=CC[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082724	0	52	0.0	-36.37	410.55	14.42	-21.95
CC1=CC(C)=C(C=CC[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082724	1	52	0.0	-36.01	416.34	14.83	-21.18
O=C([O-])C[N@H+](CC1=CC(C2CC2)=NO1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082725	0	42	0.0	-40.29	356.66	11.48	-28.81
O=C([O-])C[N@@H+](CC1=CC(C2CC2)=NO1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082725	1	42	0.0	-34.94	356.25	11.46	-23.48
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCN(C2=CC=CC=C2)C1	REAL300018082727	0	51	0.0	-38.42	389.95	11.44	-26.98
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCN(C2=CC=CC=C2)C1	REAL300018082727	1	51	0.0	-41.56	400.31	12.06	-29.50
CN1N=C(C(F)(F)F)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082728	1	42	0.0	-42.43	362.95	9.82	-32.61
CN1N=C(C(F)(F)F)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082728	1	42	0.0	-34.43	352.95	9.61	-24.82
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1C2CC3CC(C2)CC1C3	REAL300018082729	0	53	0.0	-38.67	379.95	13.49	-25.18
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1C2CC3CC(C2)CC1C3	REAL300018082729	1	53	0.0	-40.94	375.51	13.27	-27.67
C#CCCCCCC[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082730	0	46	0.0	-35.32	382.48	13.20	-22.12
C#CCCCCCC[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082730	1	46	0.0	-36.37	375.44	12.75	-23.62
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC1(Cl)Cl	REAL300018082731	0	36	0.0	-38.90	324.31	10.86	-28.04
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC1(Cl)Cl	REAL300018082731	1	36	0.0	-42.68	334.57	11.36	-31.32
COC(C)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082732	0	39	0.0	-31.97	318.40	8.90	-23.07
COC(C)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082732	1	39	0.0	-28.53	315.45	8.25	-20.28
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(C2CCCC2)=C1	REAL300018082733	0	52	0.0	-35.00	412.06	14.92	-20.08
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(C2CCCC2)=C1	REAL300018082733	1	52	0.0	-33.88	412.29	14.92	-18.96
CC1=C(C)C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082734	0	42	0.0	-33.56	351.14	11.99	-21.57
CC1=C(C)C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082734	1	42	0.0	-33.89	354.51	12.05	-21.84
CSC(C)(C)CC[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082735	0	45	0.0	-42.10	363.61	11.59	-30.51
CSC(C)(C)CC[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082735	1	45	0.0	-32.28	364.33	11.61	-20.67
COC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCCCC1	REAL300018082736	0	52	0.0	-31.96	392.70	11.86	-20.10
COC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCCCC1	REAL300018082736	1	52	0.0	-28.54	388.68	11.55	-16.99
CCC(C)(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OC	REAL300018082737	0	45	0.0	-31.42	342.51	9.93	-21.49
CCC(C)(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OC	REAL300018082737	1	45	0.0	-33.01	335.68	9.13	-23.88
CC(C)OC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC=C1	REAL300018082738	0	52	0.0	-32.40	402.32	13.42	-18.98
CC(C)OC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1=CC=CC=C1	REAL300018082738	1	52	0.0	-40.41	411.58	13.21	-27.20
CCCC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OC	REAL300018082739	0	45	0.0	-40.55	356.46	10.14	-30.41
CCCC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OC	REAL300018082739	1	45	0.0	-33.07	359.93	10.30	-22.77
COC(CC1=CC=CC=C1)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082740	0	49	0.0	-41.63	394.79	12.36	-29.27
COC(CC1=CC=CC=C1)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082740	1	49	0.0	-35.87	398.26	12.53	-23.34
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCC2CC2C1	REAL300018082741	0	46	0.0	-38.04	357.05	12.77	-25.27
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCC2CC2C1	REAL300018082741	1	46	0.0	-37.95	356.06	12.74	-25.21
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=N1	REAL300018082742	0	38	0.0	-28.55	315.78	9.43	-19.12
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=N1	REAL300018082742	1	38	0.0	-33.85	323.48	10.30	-23.55
O=C([O-])C[N@H+](CC1=CC=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082743	0	36	0.0	-33.00	318.24	10.87	-22.13
O=C([O-])C[N@@H+](CC1=CC=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082743	1	36	0.0	-32.74	318.34	10.87	-21.87
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CN=C1	REAL300018082744	0	38	0.0	-39.95	322.90	9.94	-30.01
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CN=C1	REAL300018082744	1	38	0.0	-39.94	315.53	9.43	-30.51
O=C([O-])C[N@H+](CC1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082745	0	39	0.0	-34.97	320.51	11.27	-23.70
O=C([O-])C[N@@H+](CC1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082745	1	39	0.0	-35.12	320.61	11.28	-23.84
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1O	REAL300018082746	0	40	0.0	-34.48	337.09	9.04	-25.44
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1O	REAL300018082746	1	40	0.0	-33.64	331.60	8.61	-25.03
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1Cl	REAL300018082747	0	39	0.0	-36.12	336.48	12.09	-24.03
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC=C1Cl	REAL300018082747	1	39	0.0	-26.01	336.25	11.86	-14.15
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O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC([N+](=O)[O-])=C1	REAL300018082748	1	41	0.0	-44.21	356.24	12.39	-31.82
O=C([O-])C[N@H+](CC1=CC=C([N+](=O)[O-])C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082749	0	41	0.0	-46.19	356.25	12.39	-33.80
O=C([O-])C[N@@H+](CC1=CC=C([N+](=O)[O-])C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082749	1	41	0.0	-43.74	348.91	11.95	-31.79
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=CC=CC=C21	REAL300018082750	0	45	0.0	-35.38	363.87	13.74	-21.64
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=CC=CC=C21	REAL300018082750	1	45	0.0	-33.05	363.62	13.49	-19.56
CN(C)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082751	0	47	0.0	-35.50	371.39	11.66	-23.84
CN(C)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082751	1	47	0.0	-34.84	378.93	12.10	-22.74
CCN(CC)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082752	0	53	0.0	-34.96	415.64	13.57	-21.39
CCN(CC)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082752	1	53	0.0	-34.80	415.71	13.58	-21.22
O=C([O-])C[N@H+](CC1=CC=C(Cl)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082753	0	39	0.0	-37.27	344.77	12.23	-25.04
O=C([O-])C[N@@H+](CC1=CC=C(Cl)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082753	1	39	0.0	-37.57	344.73	12.23	-25.34
O=C([O-])C[N@H+](CC1=CC=C(F)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082754	0	39	0.0	-38.21	334.45	11.78	-26.43
O=C([O-])C[N@@H+](CC1=CC=C(F)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082754	1	39	0.0	-38.44	334.40	11.78	-26.66
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(Cl)C=C1Cl	REAL300018082755	0	39	0.0	-26.25	350.23	12.30	-13.95
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(Cl)C=C1Cl	REAL300018082755	1	39	0.0	-36.74	358.42	12.72	-24.02
COC(CC(C)C)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082756	0	48	0.0	-40.24	373.74	10.64	-29.60
COC(CC(C)C)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082756	1	48	0.0	-37.18	368.30	10.45	-26.73
CC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1=CC(F)=CC(F)=C1	REAL300018082757	0	45	0.0	-43.12	376.44	13.18	-29.94
CC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1=CC(F)=CC(F)=C1	REAL300018082757	1	45	0.0	-31.13	373.33	12.75	-18.38
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O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC2CC2C1	REAL300018082758	1	43	0.0	-37.66	337.86	11.92	-25.74
CN1N=C2CCCCC2=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082759	0	49	0.0	-34.42	376.89	11.15	-23.27
CN1N=C2CCCCC2=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082759	1	49	0.0	-35.69	377.94	11.10	-24.59
COCC1(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300018082760	0	46	0.0	-35.54	357.65	10.67	-24.87
COCC1(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300018082760	1	46	0.0	-34.39	351.97	10.26	-24.13
O=C([O-])C[N@H+](CC1=C(C2CC2)N=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082761	0	42	0.0	-35.08	362.87	11.16	-23.92
O=C([O-])C[N@@H+](CC1=C(C2CC2)N=CS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082761	1	42	0.0	-34.22	359.09	11.09	-23.13
COCCCN1N=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082762	0	49	0.0	-35.85	394.77	9.64	-26.21
COCCCN1N=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082762	1	49	0.0	-33.67	392.66	9.39	-24.28
O=C([O-])C[N@H+](CC1=CSC=C1C(F)(F)F)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082765	0	39	0.0	-35.51	349.23	11.76	-23.75
O=C([O-])C[N@@H+](CC1=CSC=C1C(F)(F)F)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082765	1	39	0.0	-39.89	342.59	11.57	-28.32
COC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300018082766	0	43	0.0	-40.65	346.54	10.30	-30.35
COC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CC1	REAL300018082766	1	43	0.0	-38.68	337.11	10.07	-28.61
CCC(C)C(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OC	REAL300018082767	0	48	0.0	-32.09	369.56	10.74	-21.35
CCC(C)C(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OC	REAL300018082767	1	48	0.0	-37.74	366.25	10.40	-27.34
O=C([O-])C[N@H+](CC1=C(C(F)(F)F)SC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082768	0	39	0.0	-36.36	346.65	11.78	-24.58
O=C([O-])C[N@@H+](CC1=C(C(F)(F)F)SC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082768	1	39	0.0	-40.72	344.23	11.64	-29.08
COC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCOC1	REAL300018082769	0	47	0.0	-33.73	367.46	8.86	-24.87
COC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCOC1	REAL300018082769	1	47	0.0	-30.10	364.21	8.54	-21.56
O=C([O-])C[N@H+](CC1=CC=NN1C1CCOCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082770	0	50	0.0	-32.22	380.67	9.48	-22.74
O=C([O-])C[N@@H+](CC1=CC=NN1C1CCOCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082770	1	50	0.0	-39.51	397.60	9.90	-29.61
C[C@]1(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C[C@@H]1C1=CC=CC=C1	REAL300018082771	0	49	0.0	-36.63	387.13	14.05	-22.58
C[C@]1(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C[C@@H]1C1=CC=CC=C1	REAL300018082771	1	49	0.0	-39.23	387.06	14.23	-25.00
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300018082772	0	46	0.0	-34.16	373.24	13.53	-20.63
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)C[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300018082772	1	46	0.0	-39.79	378.58	13.89	-25.90
O=C([O-])C[N@H+](CC1=CC=NN1CC1CCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082773	0	49	0.0	-32.95	383.92	11.60	-21.35
O=C([O-])C[N@@H+](CC1=CC=NN1CC1CCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082773	1	49	0.0	-36.84	392.29	12.04	-24.80
COC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCCC1	REAL300018082774	0	49	0.0	-32.52	371.58	11.06	-21.46
COC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCCC1	REAL300018082774	1	49	0.0	-28.31	372.18	11.09	-17.22
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082775	0	43	0.0	-37.02	357.50	11.01	-26.01
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082775	1	43	0.0	-36.84	357.54	11.01	-25.83
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(OC)=C1	REAL300018082776	0	47	0.0	-38.10	384.80	10.49	-27.61
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(OC)=C1	REAL300018082776	1	47	0.0	-35.53	386.56	10.43	-25.10
O=C([O-])C[NH+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082777	0	42	0.0	-39.36	366.73	12.72	-26.64
O=C([O-])C[N@H+](CC1=CC=C(OC(F)F)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082778	0	43	0.0	-38.85	367.29	11.30	-27.55
O=C([O-])C[N@@H+](CC1=CC=C(OC(F)F)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082778	1	43	0.0	-37.69	367.27	11.30	-26.39
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(Cl)=C1	REAL300018082779	0	39	0.0	-32.89	337.41	11.79	-21.10
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(Cl)=C1	REAL300018082779	1	39	0.0	-36.14	344.76	12.23	-23.91
COC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082780	0	43	0.0	-33.37	350.13	10.58	-22.79
COC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082780	1	43	0.0	-35.66	357.53	11.01	-24.65
CC(=CC1=CC=CC=C1)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082781	0	46	0.0	-36.05	368.35	13.07	-22.98
CC(=CC1=CC=CC=C1)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082781	1	46	0.0	-35.47	366.29	13.03	-22.44
CC(C)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082782	0	48	0.0	-35.06	380.78	13.20	-21.86
CC(C)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082782	1	48	0.0	-34.11	388.00	13.64	-20.47
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082783	0	39	0.0	-32.98	331.81	10.77	-22.21
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082783	1	39	0.0	-37.36	325.74	10.40	-26.96
O=C([O-])C[N@H+](CC=CC1=CC=CC=C1[N+](=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082784	0	45	0.0	-37.95	377.32	13.20	-24.75
O=C([O-])C[N@@H+](CC=CC1=CC=CC=C1[N+](=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082784	1	45	0.0	-49.85	376.61	13.14	-36.71
O=C([O-])C[N@H+](CC1=CC=NC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082785	0	38	0.0	-38.81	322.82	9.95	-28.86
O=C([O-])C[N@@H+](CC1=CC=NC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082785	1	38	0.0	-38.57	322.76	9.95	-28.62
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(C(F)(F)F)=C1	REAL300018082786	0	42	0.0	-33.20	359.75	12.29	-20.91
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(C(F)(F)F)=C1	REAL300018082786	1	42	0.0	-38.02	367.09	12.73	-25.29
CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082787	0	46	0.0	-36.85	379.35	11.94	-24.91
CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082787	1	46	0.0	-36.79	379.39	11.94	-24.85
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(F)=C1	REAL300018082788	0	39	0.0	-33.32	327.09	11.35	-21.97
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(F)=C1	REAL300018082788	1	39	0.0	-37.07	334.44	11.78	-25.29
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COC1=CC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082790	0	43	0.0	-36.08	355.51	11.19	-24.89
COC1=CC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082790	1	43	0.0	-33.06	357.26	11.12	-21.94
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300018082791	0	39	0.0	-30.83	331.88	11.33	-19.50
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300018082791	1	39	0.0	-32.09	337.13	11.42	-20.67
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O=C([O-])C[N@@H+](CC1=CC=C(C2=CC=CC=C2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082792	1	49	0.0	-37.82	402.22	15.13	-22.69
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082793	0	42	0.0	-35.07	342.01	11.95	-23.12
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082793	1	42	0.0	-34.26	349.24	12.39	-21.87
CSC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082794	0	43	0.0	-36.72	368.21	12.74	-23.98
CSC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082794	1	43	0.0	-36.90	368.24	12.74	-24.16
CC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082795	0	42	0.0	-34.64	342.10	11.95	-22.69
CC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082795	1	42	0.0	-34.12	349.44	12.39	-21.73
O=C([O-])C[N@H+](CC1=CSC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082796	0	36	0.0	-34.68	311.80	10.25	-24.43
O=C([O-])C[N@@H+](CC1=CSC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082796	1	36	0.0	-34.37	311.78	10.29	-24.08
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082797	0	39	0.0	-31.06	334.02	11.24	-19.82
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082797	1	39	0.0	-32.83	340.28	11.66	-21.17
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018082798	0	45	0.0	-33.23	360.36	12.89	-20.34
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018082798	1	45	0.0	-33.57	365.38	13.05	-20.52
CC1=CC=C(C)C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082799	0	45	0.0	-32.79	360.24	12.86	-19.93
CC1=CC=C(C)C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082799	1	45	0.0	-33.39	365.35	13.05	-20.34
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CN=C2C=C1	REAL300018082800	0	44	0.0	-38.99	368.93	12.08	-26.91
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CN=C2C=C1	REAL300018082800	1	44	0.0	-37.75	361.54	11.64	-26.11
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC2C=CC1C2	REAL300018082801	0	44	0.0	-32.59	345.68	12.30	-20.29
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CC2C=CC1C2	REAL300018082801	1	44	0.0	-37.20	342.54	12.02	-25.18
CC(C)(C)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082802	0	51	0.0	-35.45	404.04	14.03	-21.42
CC(C)(C)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082802	1	51	0.0	-34.71	396.90	13.61	-21.10
O=C([O-])C[N@H+](CC1=CC=C(Cl)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082803	0	36	0.0	-40.43	320.89	10.19	-30.24
O=C([O-])C[N@@H+](CC1=CC=C(Cl)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082803	1	36	0.0	-32.41	326.82	10.57	-21.84
O=C([O-])C[N@H+](CC[C@@H]1C[C@H]1C1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082807	0	49	0.0	-37.54	393.09	14.26	-23.28
O=C([O-])C[N@@H+](CC[C@@H]1C[C@H]1C1=CC=CC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082807	1	49	0.0	-40.13	399.00	14.67	-25.46
CC1=CC(C)=C(C=CC[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018082808	0	52	0.0	-35.52	412.79	14.52	-21.00
CC1=CC(C)=C(C=CC[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018082808	1	52	0.0	-36.80	419.59	14.93	-21.87
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(CC2CCC2)=C1	REAL300018082809	0	52	0.0	-34.52	411.75	14.79	-19.73
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(CC2CCC2)=C1	REAL300018082809	1	52	0.0	-33.73	419.09	15.23	-18.50
CN1N=C2CCSCC2=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082810	0	47	0.0	-34.17	385.31	11.06	-23.11
CN1N=C2CCSCC2=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082810	1	47	0.0	-40.97	386.76	11.08	-29.89
CCOC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1OC	REAL300018082811	0	50	0.0	-38.82	408.60	11.84	-26.98
CCOC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1OC	REAL300018082811	1	50	0.0	-39.86	408.62	11.83	-28.03
CCCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082812	0	48	0.0	-35.50	392.41	13.94	-21.56
CCCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082812	1	48	0.0	-34.77	385.00	13.49	-21.28
CC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018082813	0	45	0.0	-32.96	355.72	12.71	-20.25
CC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018082813	1	45	0.0	-33.47	361.77	12.95	-20.52
CCCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082814	0	49	0.0	-36.73	400.85	12.74	-23.99
CCCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082814	1	49	0.0	-36.59	400.89	12.74	-23.85
O=C([O-])C[N@H+](CC1=CC2=CC=CC=C2O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082815	0	42	0.0	-37.28	357.52	12.39	-24.89
O=C([O-])C[N@@H+](CC1=CC2=CC=CC=C2O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082815	1	42	0.0	-33.59	356.90	12.35	-21.24
O=C([O-])C[N@H+](CC1=CC=C(C2=CC=CC=C2)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082816	0	46	0.0	-40.89	383.30	13.33	-27.56
O=C([O-])C[N@@H+](CC1=CC=C(C2=CC=CC=C2)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082816	1	46	0.0	-33.23	389.40	13.72	-19.51
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300018082817	0	44	0.0	-50.45	371.95	12.91	-37.54
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300018082817	1	44	0.0	-43.55	372.04	12.92	-30.63
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CC=C2C=C1	REAL300018082818	0	45	0.0	-37.43	373.91	13.98	-23.45
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CC=C2C=C1	REAL300018082818	1	45	0.0	-36.69	366.49	13.53	-23.16
CN1C=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082819	0	40	0.0	-37.16	326.63	10.73	-26.43
CN1C=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082819	1	40	0.0	-29.63	318.77	10.63	-19.00
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082820	0	47	0.0	-37.53	386.84	10.32	-27.21
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082820	1	47	0.0	-37.05	387.03	10.32	-26.73
C=CCOC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082821	0	47	0.0	-32.92	384.93	12.09	-20.83
C=CCOC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082821	1	47	0.0	-35.65	392.29	12.52	-23.13
CC1=CC(C)=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082822	0	48	0.0	-32.70	377.83	13.39	-19.31
CC1=CC(C)=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082822	1	48	0.0	-33.44	382.90	13.51	-19.93
CC1=NC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082823	1	38	0.0	-28.04	327.72	9.02	-19.02
CC1=NC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082823	1	38	0.0	-33.41	335.32	9.78	-23.63
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC2=C1OCO2	REAL300018082824	0	46	0.0	-44.41	376.24	9.22	-35.19
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC2=C1OCO2	REAL300018082824	1	46	0.0	-43.41	383.60	9.67	-33.74
O=C([O-])C[N@H+](CC1=CC=C(N2C=CN=C2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082826	0	46	0.0	-42.52	383.99	14.10	-28.42
O=C([O-])C[N@@H+](CC1=CC=C(N2C=CN=C2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082826	1	46	0.0	-43.05	383.97	14.10	-28.95
COC1=CC=C(C)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082827	0	46	0.0	-35.49	376.90	11.85	-23.64
COC1=CC=C(C)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082827	1	46	0.0	-32.80	378.49	11.78	-21.02
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=NC2=CC=CC=C2N=C1	REAL300018082828	0	43	0.0	-32.60	356.73	9.53	-23.07
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=NC2=CC=CC=C2N=C1	REAL300018082828	1	43	0.0	-43.29	358.39	10.05	-33.24
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018082829	0	43	0.0	-37.64	363.73	11.09	-26.55
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018082829	1	43	0.0	-41.33	363.75	11.09	-30.24
O=C([O-])C[N@H+](CC1=CN(C2=CC=CC=C2)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082830	0	46	0.0	-41.01	387.35	12.88	-28.13
O=C([O-])C[N@@H+](CC1=CN(C2=CC=CC=C2)N=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082830	1	46	0.0	-38.03	387.23	12.90	-25.13
CC1CC1C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082831	0	46	0.0	-32.30	384.69	13.04	-19.26
CC1CC1C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082831	1	46	0.0	-37.90	378.64	12.67	-25.23
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082832	0	46	0.0	-36.68	377.57	11.77	-24.91
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082832	1	46	0.0	-36.62	377.60	11.76	-24.86
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018082833	0	43	0.0	-27.29	362.95	11.09	-16.20
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018082833	1	43	0.0	-36.06	371.17	11.51	-24.55
O=C([O-])C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082834	0	42	0.0	-34.48	359.64	12.75	-21.73
O=C([O-])C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082834	1	42	0.0	-35.87	361.61	13.05	-22.82
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CC=C2OC1	REAL300018082835	0	45	0.0	-37.76	364.31	11.72	-26.04
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CC=C2OC1	REAL300018082835	1	45	0.0	-36.73	367.15	11.81	-24.92
CCC(C)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082836	0	41	0.0	-40.95	322.70	10.73	-30.22
CCC(C)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082836	1	41	0.0	-32.61	320.86	10.50	-22.11
CCCC(C)C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082837	0	44	0.0	-40.95	344.20	11.50	-29.45
CCCC(C)C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082837	1	44	0.0	-32.57	342.36	11.27	-21.30
O=C([O-])C[N@H+](CC1=CC=C(Cl)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082838	0	36	0.0	-35.37	335.48	11.48	-23.89
O=C([O-])C[N@@H+](CC1=CC=C(Cl)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082838	1	36	0.0	-31.43	329.18	11.06	-20.37
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=CC=CN=C21	REAL300018082839	0	44	0.0	-39.10	367.31	12.38	-26.72
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=CC=CN=C21	REAL300018082839	1	44	0.0	-34.66	368.80	12.28	-22.38
O=C([O-])C[N@H+](CC1=CC=C(N2C=NC=N2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082840	0	45	0.0	-39.32	373.72	13.78	-25.54
O=C([O-])C[N@@H+](CC1=CC=C(N2C=NC=N2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082840	1	45	0.0	-47.41	373.82	13.79	-33.62
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2NC=CC2=C1	REAL300018082841	0	43	0.0	-36.28	359.32	11.76	-24.52
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2NC=CC2=C1	REAL300018082841	1	43	0.0	-36.53	359.37	11.75	-24.78
CCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082842	0	42	0.0	-32.69	353.28	11.55	-21.14
CCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082842	1	42	0.0	-34.35	353.81	11.60	-22.75
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C=C1Cl	REAL300018082843	0	39	0.0	-26.77	339.90	11.85	-14.92
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C=C1Cl	REAL300018082843	1	39	0.0	-37.50	348.10	12.27	-25.23
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018082844	0	42	0.0	-41.17	347.41	11.99	-29.18
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018082844	1	42	0.0	-37.09	354.75	12.42	-24.67
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CC(C)OC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082846	0	49	0.0	-37.92	397.44	12.60	-25.32
CC(C)OC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082846	1	49	0.0	-36.68	397.82	12.61	-24.07
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1F	REAL300018082847	0	42	0.0	-38.29	354.75	12.41	-25.88
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1F	REAL300018082847	1	42	0.0	-38.23	354.75	12.41	-25.82
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O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=C2NC=CC2=CC=C1	REAL300018082848	1	43	0.0	-35.31	353.89	11.35	-23.96
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CC(C)CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082850	0	51	0.0	-35.49	409.14	14.40	-21.09
CC(C)CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082850	1	51	0.0	-33.90	409.03	14.40	-19.50
CC1=CC(C)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082851	0	45	0.0	-34.67	363.35	12.59	-22.08
CC1=CC(C)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082851	1	45	0.0	-34.03	370.85	13.05	-20.98
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300018082852	0	45	0.0	-41.49	383.54	12.46	-29.03
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300018082852	1	45	0.0	-47.93	383.55	12.46	-35.47
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O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=CN=C1	REAL300018082856	0	37	0.0	-38.94	310.66	9.25	-29.69
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CN=CN=C1	REAL300018082856	1	37	0.0	-40.95	317.79	9.66	-31.29
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=NC2=CC=CC=C12	REAL300018082857	0	44	0.0	-38.62	359.73	11.87	-26.75
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=NC2=CC=CC=C12	REAL300018082857	1	44	0.0	-36.80	359.18	11.60	-25.20
CCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082858	0	42	0.0	-32.22	361.70	12.45	-19.77
CCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082858	1	42	0.0	-32.76	361.72	12.44	-20.32
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CN1C2=CC=CC=C2N=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082860	1	45	0.0	-46.57	369.54	11.57	-35.00
CN1C2=CC=CC=C2N=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082860	1	45	0.0	-46.00	370.16	11.74	-34.26
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2OCCC2=C1	REAL300018082861	0	44	0.0	-37.87	363.93	11.57	-26.30
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2OCCC2=C1	REAL300018082861	1	44	0.0	-37.77	363.70	11.55	-26.22
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(N2CCCC2)N=C1	REAL300018082862	0	50	0.0	-40.38	394.52	11.12	-29.26
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(N2CCCC2)N=C1	REAL300018082862	1	50	0.0	-35.65	394.73	11.20	-24.45
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O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=C2C=CNC2=CC=C1	REAL300018082864	1	43	0.0	-33.94	353.71	11.35	-22.59
CN1C=NC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082865	0	39	0.0	-41.41	321.85	10.41	-31.00
CN1C=NC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082865	1	39	0.0	-38.51	322.70	10.78	-27.73
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CC1=NN(C)C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082867	0	42	0.0	-37.91	343.72	9.44	-28.47
CC1=NN(C)C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082867	1	42	0.0	-34.19	333.72	9.22	-24.97
CC(C)(C)N1C=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082869	0	48	0.0	-35.38	391.19	11.51	-23.87
CC(C)(C)N1C=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082869	1	48	0.0	-37.71	391.30	11.49	-26.22
CN1N=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082870	0	39	0.0	-37.71	322.12	8.84	-28.87
CN1N=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082870	1	39	0.0	-33.73	312.44	8.68	-25.05
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COCCOC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082872	0	50	0.0	-33.99	405.66	10.78	-23.21
COCCOC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082872	1	50	0.0	-37.73	413.01	11.21	-26.52
COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300018082873	0	43	0.0	-36.44	373.53	11.57	-24.87
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300018082873	1	43	0.0	-39.53	373.55	11.56	-27.97
COC1=NC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082874	0	42	0.0	-39.64	353.18	8.62	-31.02
COC1=NC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082874	1	42	0.0	-36.62	354.96	8.54	-28.08
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CC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082876	0	38	0.0	-35.45	328.68	9.24	-26.21
CC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082876	1	38	0.0	-35.17	328.41	9.31	-25.86
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CCCOC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082879	0	49	0.0	-32.72	393.53	12.31	-20.41
CCCOC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082879	1	49	0.0	-35.41	400.88	12.74	-22.67
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CC1=C2C=C(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)C=NC2=NN1	REAL300018082881	0	44	0.0	-50.73	370.93	10.26	-40.47
CC1=C2C=C(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)C=NC2=NN1	REAL300018082881	1	44	0.0	-49.20	371.09	10.25	-38.95
CC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082882	0	40	0.0	-38.92	332.36	9.24	-29.68
CC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082882	1	40	0.0	-41.08	339.63	9.63	-31.45
CCC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082883	0	41	0.0	-35.64	356.22	10.47	-25.17
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CN(C)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082885	1	43	0.0	-35.70	363.02	10.33	-25.37
CC(C)OC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082886	0	49	0.0	-32.74	389.86	12.11	-20.63
CC(C)OC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082886	1	49	0.0	-35.24	397.09	12.56	-22.68
CC(C)C1=NC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082887	1	44	0.0	-27.40	368.94	10.34	-17.06
CC(C)C1=NC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082887	1	44	0.0	-33.10	376.68	11.09	-22.01
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CCC1=NC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082889	1	41	0.0	-33.38	356.96	10.52	-22.86
CC(C)(C)C1=NC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082890	1	47	0.0	-27.45	387.88	10.85	-16.60
CC(C)(C)C1=NC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082890	1	47	0.0	-32.84	395.48	11.62	-21.22
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CC(C)(C)C1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082893	0	47	0.0	-34.73	388.79	11.08	-23.65
CC(C)(C)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082893	1	47	0.0	-34.47	388.55	11.13	-23.34
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C(C)S1	REAL300018082894	0	42	0.0	-32.60	354.35	12.19	-20.41
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C(C)S1	REAL300018082894	1	42	0.0	-33.72	358.53	12.28	-21.44
C#CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082895	0	45	0.0	-38.97	385.17	12.49	-26.48
C#CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082895	1	45	0.0	-38.56	385.14	12.49	-26.07
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1SC	REAL300018082896	0	47	0.0	-38.45	396.93	12.07	-26.38
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1SC	REAL300018082896	1	47	0.0	-39.72	396.93	12.06	-27.66
O=C([O-])C[N@H+](CC1=CC(C2=CC=CC=C2)=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082897	0	46	0.0	-37.86	381.89	11.25	-26.61
O=C([O-])C[N@@H+](CC1=CC(C2=CC=CC=C2)=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082897	1	46	0.0	-38.78	380.49	11.37	-27.41
CN1N=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C21	REAL300018082900	0	45	0.0	-32.40	378.65	11.71	-20.69
CN1N=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C21	REAL300018082900	1	45	0.0	-30.98	365.97	10.98	-20.00
CN1C=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082901	1	39	0.0	-30.62	324.91	8.98	-21.64
CN1C=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082901	1	39	0.0	-35.10	332.03	9.62	-25.48
O=C([O-])C[N@H+](CC1=C2C=CC=CC2=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082902	0	42	0.0	-43.00	356.99	10.42	-32.58
O=C([O-])C[N@@H+](CC1=C2C=CC=CC2=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082902	1	42	0.0	-38.50	355.99	10.36	-28.14
O=C([O-])C[N@H+](CC1=NNC2=CC=CC=C21)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082902	1	42	0.0	-36.00	356.49	10.49	-25.51
O=C([O-])C[N@@H+](CC1=NNC2=CC=CC=C21)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082902	1	42	0.0	-32.13	355.79	10.42	-21.71
CN(C)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018082903	0	47	0.0	-36.67	388.93	11.26	-25.41
CN(C)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018082903	1	47	0.0	-39.56	388.92	11.26	-28.30
CC1(C)CC2=CC(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC=C2O1	REAL300018082905	0	50	0.0	-36.84	397.98	12.52	-24.32
CC1(C)CC2=CC(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CC=C2O1	REAL300018082905	1	50	0.0	-37.60	405.48	12.96	-24.64
CC1=NSC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082906	0	38	0.0	-32.27	328.80	9.76	-22.51
CC1=NSC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082906	1	38	0.0	-38.00	334.78	10.17	-27.83
O=C([O-])C[N@H+](CC1=COC(C2=CC=CC=C2)=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082907	1	45	0.0	-37.35	385.67	10.60	-26.75
O=C([O-])C[N@@H+](CC1=COC(C2=CC=CC=C2)=N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082907	1	45	0.0	-28.74	378.68	9.74	-19.00
CC1=CSC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082908	1	38	0.0	-38.05	327.89	9.32	-28.73
CC1=CSC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082908	1	38	0.0	-34.85	334.52	9.43	-25.42
CC1=NC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082909	0	41	0.0	-37.24	334.00	10.40	-26.84
CC1=NC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082909	1	41	0.0	-37.82	339.26	10.57	-27.25
CN(C)C1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082910	0	47	0.0	-40.08	373.95	10.66	-29.42
CN(C)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082910	1	47	0.0	-32.66	369.69	10.18	-22.48
O=C([O-])C[N@H+](CC1=NC(C2=CC=CC=C2)=CN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082911	1	46	0.0	-47.13	381.46	11.77	-35.36
O=C([O-])C[N@@H+](CC1=NC(C2=CC=CC=C2)=CN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082911	1	46	0.0	-29.40	381.12	11.54	-17.86
CC(C)COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082912	0	52	0.0	-37.55	420.98	13.44	-24.11
CC(C)COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082912	1	52	0.0	-36.31	420.99	13.44	-22.87
COCCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082913	0	50	0.0	-38.10	412.98	11.21	-26.89
COCCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082913	1	50	0.0	-38.44	413.02	11.21	-27.23
CC1(C)CCCC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300018082914	0	51	0.0	-38.87	377.17	12.80	-26.07
CC1(C)CCCC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C1	REAL300018082914	1	51	0.0	-37.99	383.64	12.99	-25.00
CC1=CC(N(C)C)=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082915	0	50	0.0	-33.49	390.41	12.62	-20.87
CC1=CC(N(C)C)=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082915	1	50	0.0	-34.05	395.44	12.78	-21.27
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2CCCC2=C1	REAL300018082916	0	46	0.0	-35.77	366.24	13.19	-22.58
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C2CCCC2=C1	REAL300018082916	1	46	0.0	-34.63	373.39	13.62	-21.01
COC1=CC2=C(C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OCO2	REAL300018082917	0	46	0.0	-37.34	381.17	9.82	-27.52
COC1=CC2=C(C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)OCO2	REAL300018082917	1	46	0.0	-34.18	376.64	9.37	-24.81
COC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300018082918	0	40	0.0	-34.47	348.45	10.16	-24.31
COC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300018082918	1	40	0.0	-30.00	341.71	9.77	-20.23
CC(C)COC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082919	0	52	0.0	-32.64	413.63	13.00	-19.64
CC(C)COC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082919	1	52	0.0	-35.15	420.99	13.44	-21.71
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C2=CC=CC=C12	REAL300018082920	0	45	0.0	-36.85	369.42	13.77	-23.08
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C2=CC=CC=C12	REAL300018082920	1	45	0.0	-39.07	375.64	13.92	-25.15
O=C([O-])C[N@H+](CCC1CCOCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082921	0	46	0.0	-35.79	355.90	9.93	-25.86
O=C([O-])C[N@@H+](CCC1CCOCC1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082921	1	46	0.0	-37.41	355.75	9.91	-27.50
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCSCC1	REAL300018082922	0	43	0.0	-35.05	343.43	11.43	-23.62
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCSCC1	REAL300018082922	1	43	0.0	-41.35	339.06	11.46	-29.89
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCCCCC1	REAL300018082923	0	48	0.0	-33.04	355.16	12.15	-20.89
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1CCCCCC1	REAL300018082923	1	48	0.0	-41.41	351.10	12.21	-29.20
CC1(C)CC2=CC=CC(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=C2O1	REAL300018082924	0	50	0.0	-38.60	405.56	12.98	-25.62
CC1(C)CC2=CC=CC(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=C2O1	REAL300018082924	1	50	0.0	-33.93	406.33	12.98	-20.95
O=C([O-])C[N@H+](CC1=NC2=C(CCCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082925	1	45	0.0	-28.84	370.13	11.06	-17.78
O=C([O-])C[N@@H+](CC1=NC2=C(CCCC2)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082925	1	45	0.0	-38.11	371.43	11.19	-26.92
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=NC=C1Cl	REAL300018082926	1	38	0.0	-38.52	332.61	10.35	-28.17
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=NC=C1Cl	REAL300018082926	1	38	0.0	-37.98	337.18	10.42	-27.56
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NN1C	REAL300018082927	1	42	0.0	-30.54	343.83	9.46	-21.08
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NN1C	REAL300018082927	1	42	0.0	-34.78	351.55	10.08	-24.70
CCC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082928	0	43	0.0	-39.24	360.87	10.24	-29.00
CCC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082928	1	43	0.0	-40.93	361.11	10.23	-30.70
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(N2C=CC=N2)=C1	REAL300018082929	0	46	0.0	-34.75	386.26	12.91	-21.84
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC(N2C=CC=N2)=C1	REAL300018082929	1	46	0.0	-47.37	379.02	12.48	-34.89
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018082930	1	38	0.0	-28.29	318.94	9.42	-18.87
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=NO1	REAL300018082930	1	38	0.0	-35.24	326.18	10.06	-25.18
CCN1C=NC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082931	0	42	0.0	-39.01	339.14	11.37	-27.64
CCN1C=NC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082931	1	42	0.0	-40.35	343.80	11.31	-29.04
CC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082932	0	42	0.0	-41.44	341.74	10.20	-31.24
CC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018082932	1	42	0.0	-31.15	332.56	10.10	-21.05
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=NC=C2C=C1	REAL300018082933	0	44	0.0	-40.71	361.42	11.77	-28.94
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=NC=C2C=C1	REAL300018082933	1	44	0.0	-40.58	361.40	11.75	-28.83
O=C([O-])C[N@H+](CC1=CN=C2CCCN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082934	0	43	0.0	-38.24	350.90	11.45	-26.79
O=C([O-])C[N@@H+](CC1=CN=C2CCCN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082934	1	43	0.0	-40.77	347.50	10.83	-29.94
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C=N1	REAL300018082935	0	38	0.0	-28.61	322.11	9.50	-19.11
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=C(F)C=N1	REAL300018082935	1	38	0.0	-36.26	329.91	10.37	-25.89
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=N1	REAL300018082936	0	38	0.0	-34.41	327.25	9.42	-24.99
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SC=N1	REAL300018082936	1	38	0.0	-35.44	332.23	9.52	-25.92
COC1=CC(F)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082937	0	43	0.0	-38.17	363.94	11.08	-27.09
COC1=CC(F)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082937	1	43	0.0	-38.02	363.74	11.08	-26.94
CC(C)(C)C1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082938	0	49	0.0	-38.45	392.57	11.18	-27.27
CC(C)(C)C1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018082938	1	49	0.0	-38.58	392.57	11.19	-27.39
CC1=NOC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082939	0	38	0.0	-32.59	318.96	9.51	-23.08
CC1=NOC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082939	1	38	0.0	-39.82	326.64	9.99	-29.83
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=CO1	REAL300018082940	0	39	0.0	-33.11	326.00	10.49	-22.62
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=CO1	REAL300018082940	1	39	0.0	-34.38	329.67	10.56	-23.82
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018082941	0	42	0.0	-25.73	354.89	12.45	-13.28
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018082941	1	42	0.0	-25.90	355.91	12.47	-13.43
O=C([O-])C[N@H+](CCC1=CC=CC(Cl)=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082942	0	42	0.0	-40.57	361.75	12.68	-27.89
O=C([O-])C[N@@H+](CCC1=CC=CC(Cl)=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082942	1	42	0.0	-41.00	366.57	13.06	-27.94
O=C([O-])C[N@H+](CC1=NOC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082943	1	35	0.0	-41.60	297.64	8.81	-32.79
O=C([O-])C[N@@H+](CC1=NOC=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082943	1	35	0.0	-28.96	297.14	8.59	-20.37
CS(=O)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082944	0	44	0.0	-42.75	380.22	10.31	-32.44
CS(=O)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082944	1	44	0.0	-47.59	380.25	10.31	-37.28
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CC1=CC=C(C(C)C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082946	0	48	0.0	-39.38	385.76	13.74	-25.64
CC1=CC=C(C(C)C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082946	1	48	0.0	-29.08	381.99	13.29	-15.79
COCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082947	0	43	0.0	-32.50	358.47	9.37	-23.13
COCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082947	1	43	0.0	-40.12	359.40	9.46	-30.66
CC(C)(C)OC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082948	0	52	0.0	-32.40	401.29	12.44	-19.96
CC(C)(C)OC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082948	1	52	0.0	-35.15	408.52	12.86	-22.29
CC(C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCCCC1	REAL300018082949	0	51	0.0	-37.75	383.70	13.24	-24.51
CC(C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1)C1CCCCC1	REAL300018082949	1	51	0.0	-32.81	384.62	13.23	-19.58
CC1=CNC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082951	1	39	0.0	-28.13	323.55	8.56	-19.57
CC1=CNC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082951	1	39	0.0	-43.27	323.90	8.78	-34.49
CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018082952	0	49	0.0	-35.42	390.77	12.42	-23.00
CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018082952	1	49	0.0	-36.31	395.75	12.54	-23.77
COC1=CC(C)=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082953	0	46	0.0	-35.92	376.73	11.88	-24.04
COC1=CC(C)=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082953	1	46	0.0	-33.01	378.60	11.80	-21.21
CC1=NC(C)=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082954	0	41	0.0	-33.77	344.19	7.92	-25.85
CC1=NC(C)=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)O1	REAL300018082954	1	41	0.0	-37.20	347.76	8.00	-29.20
COCC1=CSC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082955	0	43	0.0	-33.59	367.61	10.17	-23.42
COCC1=CSC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082955	1	43	0.0	-35.14	373.54	10.59	-24.55
CCCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082956	0	45	0.0	-30.71	377.19	12.80	-17.91
CCCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082956	1	45	0.0	-32.68	383.07	13.22	-19.46
CC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018082957	0	41	0.0	-28.21	337.16	10.08	-18.13
CC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018082957	1	41	0.0	-33.66	344.94	10.93	-22.73
O=C([O-])C[N@H+](CC1=CC=NS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082958	0	35	0.0	-38.06	313.03	9.58	-28.48
O=C([O-])C[N@@H+](CC1=CC=NS1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082958	1	35	0.0	-34.80	313.00	9.58	-25.22
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018082960	0	44	0.0	-46.28	361.24	12.71	-33.57
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018082960	1	44	0.0	-45.57	369.64	12.94	-32.63
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1Cl	REAL300018082961	0	43	0.0	-38.94	373.54	11.57	-27.37
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC=C1Cl	REAL300018082961	1	43	0.0	-39.88	373.56	11.56	-28.32
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082962	0	39	0.0	-35.04	340.03	11.47	-23.57
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018082962	1	39	0.0	-34.07	333.70	11.11	-22.96
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=C2OC=CC2=CC=C1	REAL300018082963	0	42	0.0	-39.90	355.68	12.07	-27.83
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=C2OC=CC2=CC=C1	REAL300018082963	1	42	0.0	-29.70	349.87	11.67	-18.03
O=C([O-])C[N@H+](CC1=NN(C2=CC=CC=C2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082964	1	46	0.0	-43.15	381.48	12.61	-30.54
O=C([O-])C[N@@H+](CC1=NN(C2=CC=CC=C2)C=C1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082964	1	46	0.0	-30.35	380.23	12.39	-17.96
O=C([O-])C[N@H+](CC1=CN=C(C(F)(F)F)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082965	1	38	0.0	-38.79	347.77	9.76	-29.03
O=C([O-])C[N@@H+](CC1=CN=C(C(F)(F)F)S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082965	1	38	0.0	-37.41	348.05	9.69	-27.72
CCC1=NN(C)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082966	0	45	0.0	-38.89	369.50	10.77	-28.12
CCC1=NN(C)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082966	1	45	0.0	-39.22	373.40	10.85	-28.37
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CCC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082968	0	45	0.0	-34.96	370.91	13.16	-21.80
CCC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082968	1	45	0.0	-33.95	370.92	13.16	-20.79
COC1=NC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082969	1	39	0.0	-34.98	339.48	6.89	-28.09
COC1=NC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)S1	REAL300018082969	1	39	0.0	-37.51	339.20	6.96	-30.55
CC1=NC=CN=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082970	0	40	0.0	-31.27	329.65	8.63	-22.64
CC1=NC=CN=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082970	1	40	0.0	-35.25	335.46	8.87	-26.38
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=C(C=N1)OCCO2	REAL300018082971	0	44	0.0	-32.45	359.79	8.56	-23.89
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=C(C=N1)OCCO2	REAL300018082971	1	44	0.0	-40.49	361.52	9.05	-31.44
O=C([O-])C[N@H+](CC1=CN=C2C=CC(Cl)=CN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082972	0	42	0.0	-38.80	367.85	12.51	-26.29
O=C([O-])C[N@@H+](CC1=CN=C2C=CC(Cl)=CN12)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082972	1	42	0.0	-37.45	365.05	12.18	-25.27
CC1=CC=CN2C(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CN=C12	REAL300018082973	0	45	0.0	-41.92	369.64	12.27	-29.65
CC1=CC=CN2C(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)=CN=C12	REAL300018082973	1	45	0.0	-33.90	361.64	12.09	-21.81
CN1C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CN=C1Cl	REAL300018082975	0	39	0.0	-40.29	337.55	10.11	-30.18
CN1C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CN=C1Cl	REAL300018082975	1	39	0.0	-32.96	328.27	10.01	-22.95
O=C([O-])C[N@H+](CC1=CC(C(F)(F)F)=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082976	1	39	0.0	-44.02	350.41	9.07	-34.95
O=C([O-])C[N@@H+](CC1=CC(C(F)(F)F)=NN1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082976	1	39	0.0	-37.45	342.49	8.78	-28.67
O=C([O-])C[N@H+](CC1=CC2=C(F)C=CC=C2N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082978	0	43	0.0	-40.45	367.29	11.72	-28.73
O=C([O-])C[N@@H+](CC1=CC2=C(F)C=CC=C2N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082978	1	43	0.0	-42.49	359.61	11.28	-31.21
O=C([O-])C[N@H+](CC1=CC2=CC=C(F)C=C2N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082979	0	43	0.0	-40.26	366.73	12.01	-28.25
O=C([O-])C[N@@H+](CC1=CC2=CC=C(F)C=C2N1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082979	1	43	0.0	-37.61	359.16	11.56	-26.05
CCOC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082980	0	45	0.0	-28.59	369.54	8.84	-19.75
CCOC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018082980	1	45	0.0	-35.55	377.55	9.90	-25.65
CC1=C(Cl)C=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082981	0	42	0.0	-36.43	353.29	12.62	-23.81
CC1=C(Cl)C=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082981	1	42	0.0	-36.38	358.02	12.82	-23.56
O=C([O-])C[N@H+](CC1=CC2=CC=NC=C2S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082982	0	41	0.0	-38.52	360.19	11.50	-27.02
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CC1=CC=CC2=NC=C(C[N@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)N21	REAL300018082983	0	45	0.0	-40.83	359.03	11.98	-28.85
CC1=CC=CC2=NC=C(C[N@@H+](CC(=O)[O-])CC3=CC=C(C(F)(F)F)C=C3)N21	REAL300018082983	1	45	0.0	-40.58	361.20	12.09	-28.49
CC1=CC(Cl)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082984	0	42	0.0	-32.83	358.69	12.44	-20.39
CC1=CC(Cl)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082984	1	42	0.0	-36.55	366.01	12.89	-23.66
COCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082985	0	46	0.0	-37.77	383.09	11.45	-26.32
COCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018082985	1	46	0.0	-35.98	382.90	11.44	-24.54
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CC(F)=C2N=C1	REAL300018082986	0	44	0.0	-39.91	375.41	12.10	-27.81
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC2=CC=CC(F)=C2N=C1	REAL300018082986	1	44	0.0	-45.33	375.44	12.08	-33.25
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC2=CC=CN=C12	REAL300018082987	0	47	0.0	-38.63	389.07	12.92	-25.71
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=CC2=CC=CN=C12	REAL300018082987	1	47	0.0	-40.62	389.23	12.91	-27.71
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SN=N1	REAL300018082988	1	37	0.0	-37.67	324.03	8.90	-28.77
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)SN=N1	REAL300018082988	1	37	0.0	-38.60	321.39	8.51	-30.09
CCCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082989	0	52	0.0	-36.36	420.95	13.50	-22.86
CCCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018082989	1	52	0.0	-36.30	420.76	13.48	-22.82
COC1=C(C)C=NC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018082990	0	48	0.0	-37.96	383.36	10.29	-27.67
COC1=C(C)C=NC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018082990	1	48	0.0	-33.87	392.93	10.95	-22.92
NC1=C(F)C=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082991	0	41	0.0	-35.07	339.31	9.99	-25.08
NC1=C(F)C=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1	REAL300018082991	1	41	0.0	-32.54	338.70	9.45	-23.09
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O=C([O-])C[N@H+](CC1=CC2=CC(Cl)=CN=C2O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082993	0	41	0.0	-40.79	368.88	9.84	-30.95
O=C([O-])C[N@@H+](CC1=CC2=CC(Cl)=CN=C2O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082993	1	41	0.0	-31.69	361.31	9.29	-22.40
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O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=CC=CC2=C1CCC2	REAL300018082994	1	46	0.0	-33.87	373.16	13.59	-20.28
COC1=NSC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082996	1	39	0.0	-36.31	339.57	7.27	-29.04
COC1=NSC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018082996	1	39	0.0	-39.24	345.53	7.67	-31.57
O=C([O-])C[N@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=NC=CC2=CC=CC=C21	REAL300018082997	0	44	0.0	-30.04	361.88	12.16	-17.88
O=C([O-])C[N@@H+](CC1=CC=C(C(F)(F)F)C=C1)CC1=NC=CC2=CC=CC=C21	REAL300018082997	1	44	0.0	-33.92	366.92	12.33	-21.59
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300018082998	0	42	0.0	-34.32	346.14	9.98	-24.34
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300018082998	1	42	0.0	-37.51	349.95	10.02	-27.49
O=C([O-])C[N@H+](CC1=CN=C(C2CC2)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082999	0	42	0.0	-39.00	351.83	8.75	-30.25
O=C([O-])C[N@@H+](CC1=CN=C(C2CC2)O1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018082999	1	42	0.0	-34.59	357.78	9.11	-25.48
O=C([O-])C[N@H+](CC1=NC2=CC=C(F)C=C2S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018083000	0	41	0.0	-31.32	359.56	10.84	-20.48
O=C([O-])C[N@@H+](CC1=NC2=CC=C(F)C=C2S1)CC1=CC=C(C(F)(F)F)C=C1	REAL300018083000	1	41	0.0	-38.74	360.76	10.96	-27.78
CC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018084661	0	42	0.0	-40.74	332.34	10.61	-30.13
CC(C[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018084663	0	41	0.0	-50.93	347.26	11.02	-39.91
CC(C[NH2+]C1CC(C)(C)CC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084664	0	54	0.0	-35.61	374.85	11.24	-24.37
CC(C[NH2+]C1CCC2=CC(Br)=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084665	0	46	0.0	-43.35	369.38	12.09	-31.26
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084666	0	52	0.0	-39.63	394.49	12.09	-27.54
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=C1OC	REAL300018084667	0	47	0.0	-50.23	385.38	9.71	-40.52
CC(C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084668	0	46	0.0	-42.86	371.98	12.54	-30.32
CC(C[NH2+]CC1=CC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084669	0	42	0.0	-39.41	343.01	11.45	-27.96
CC(C)OC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084670	0	49	0.0	-41.34	373.74	10.77	-30.57
CCCCCCCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084671	0	61	0.0	-41.27	463.47	14.07	-27.20
CC(C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018084672	0	60	0.0	-39.43	438.58	14.28	-25.15
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1F	REAL300018084673	0	42	0.0	-47.17	337.51	10.63	-36.54
CC(C[NH2+]CC1=C2NC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084674	0	43	0.0	-40.81	336.98	9.91	-30.90
CC(C[NH2+]CC1=CSC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084675	0	38	0.0	-57.79	330.82	9.73	-48.06
CC(C[NH2+]CC1=CC=CC=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084676	0	52	0.0	-37.84	389.57	9.42	-28.42
CC(C)CC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084677	0	51	0.0	-39.12	385.77	12.61	-26.51
CC1=CC=C(C2=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)=C2)C=C1	REAL300018084678	0	52	0.0	-45.75	406.40	14.01	-31.74
COC1=CC=C(Br)C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084679	0	43	0.0	-35.41	350.52	9.79	-25.62
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300018084680	0	45	0.0	-50.06	361.14	10.65	-39.41
CC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084681	0	39	0.0	-46.90	344.24	10.94	-35.96
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084682	0	52	0.0	-45.38	406.84	14.01	-31.37
CC(C[NH2+]CC1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084683	0	43	0.0	-48.52	350.04	9.51	-39.01
CCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCC	REAL300018084684	0	53	0.0	-48.16	413.24	10.97	-37.19
CC(C)C1CCC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018084685	0	51	0.0	-35.60	355.04	11.25	-24.35
CC(C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084686	0	42	0.0	-48.83	357.52	11.32	-37.51
CC(C[NH2+]CC1=CC=C(F)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018084687	0	39	0.0	-42.81	328.31	10.53	-32.28
CC(C[NH2+]CC1=CC=C2OC(F)(F)OC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084688	0	42	0.0	-50.92	350.39	9.03	-41.89
CC(C[NH2+]CC1=CC=NC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084689	0	44	0.0	-45.84	342.06	10.17	-35.67
CC(C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084690	0	43	0.0	-44.43	351.62	9.69	-34.74
CC(C[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084691	0	45	0.0	-51.95	365.31	7.44	-44.51
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084692	0	53	0.0	-46.48	419.00	12.99	-33.49
CC(CCOCC1=CC=CC=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084693	0	52	0.0	-38.45	397.46	11.38	-27.07
CC(C[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084694	0	46	0.0	-41.49	365.00	12.20	-29.29
CC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084695	0	49	0.0	-46.18	401.72	13.87	-32.31
CC(C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084696	0	49	0.0	-46.32	401.73	13.86	-32.46
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C12	REAL300018084697	0	49	0.0	-43.04	374.94	11.40	-31.64
CCC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018084698	0	42	0.0	-40.84	344.37	10.61	-30.23
CN1C2=CC=CC=C2N=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084699	0	45	0.0	-50.01	352.03	10.25	-39.76
CC(C[NH2+]CC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084700	0	44	0.0	-43.47	341.51	9.74	-33.73
CC(C[NH2+]CC1=CSC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084701	0	36	0.0	-41.45	318.13	9.66	-31.79
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084702	0	52	0.0	-45.50	415.52	11.51	-33.99
CC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084703	0	52	0.0	-43.34	415.57	11.49	-31.85
CC(C[NH2+]CC1=CC=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084704	0	50	0.0	-42.83	379.54	9.82	-33.01
CC(C[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084705	0	47	0.0	-54.63	384.37	6.64	-47.99
CC(C[NH2+]CC1=C2C=CNC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084706	0	43	0.0	-43.66	341.96	9.95	-33.71
CC(C[NH2+]CC1=CC=C2C=CNC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084707	0	43	0.0	-45.77	342.15	9.96	-35.81
CC(CC1=CC=CS1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084708	0	42	0.0	-38.57	335.90	10.39	-28.18
CC(C[NH2+]CC1=CC=CC2=C1OC(F)(F)O2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084709	0	42	0.0	-53.49	350.34	9.02	-44.47
CC1=CC(F)=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084710	0	42	0.0	-46.04	331.99	10.62	-35.42
CC(C[NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084711	0	53	0.0	-42.59	396.24	11.73	-30.86
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084712	0	54	0.0	-39.89	390.05	12.85	-27.04
CN(C)C1=CC=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084713	0	47	0.0	-40.69	362.04	9.93	-30.76
CC(C[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084714	0	48	0.0	-44.79	374.85	11.55	-33.24
CC(C[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084715	0	48	0.0	-48.09	380.20	11.58	-36.51
CN1CCN(C2=CC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)CC1	REAL300018084716	1	56	0.0	-41.02	413.84	8.63	-32.39
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084717	0	55	0.0	-43.32	414.98	7.47	-35.85
CC(C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084718	0	48	0.0	-49.97	392.12	8.42	-41.55
CC(C[NH2+]C1CCN(C2=CN=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084719	0	49	0.0	-43.27	368.59	7.75	-35.52
CC(C[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084720	0	54	0.0	-42.91	418.08	11.01	-31.90
CC(C[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084721	0	54	0.0	-43.32	418.27	10.97	-32.35
CC(C[NH2+]C1CCN(CC2=CC=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084722	0	53	0.0	-45.92	397.49	8.46	-37.46
CC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084723	0	46	0.0	-51.84	376.03	11.21	-40.63
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084724	0	52	0.0	-43.27	419.74	12.54	-30.73
CC(C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084725	0	46	0.0	-47.42	381.18	11.64	-35.78
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084726	0	52	0.0	-52.04	421.76	12.28	-39.76
CC(C)(C)N1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018084727	0	48	0.0	-44.70	373.53	9.75	-34.95
CC(C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084729	0	46	0.0	-47.15	381.71	10.62	-36.53
CC(C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018084731	0	43	0.0	-45.37	365.41	10.08	-35.29
CC(C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084732	0	46	0.0	-43.47	395.36	13.22	-30.25
CC(C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084733	0	49	0.0	-47.77	388.11	8.43	-39.34
COC1=CC=CC(C2=NNC=C2C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084734	0	50	0.0	-50.83	391.16	9.07	-41.76
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OCC(F)(F)F	REAL300018084735	0	50	0.0	-46.37	405.80	10.49	-35.88
CC(C[NH2+]CC1=CN=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084736	0	49	0.0	-51.20	379.80	9.81	-41.39
CC(C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084737	0	52	0.0	-48.07	416.93	11.44	-36.63
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084738	0	52	0.0	-44.30	409.65	11.50	-32.80
CC(C)C1=NN(C)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084740	0	48	0.0	-43.83	370.83	9.55	-34.28
COCCOC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084741	0	50	0.0	-43.87	390.60	9.41	-34.46
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018084742	0	43	0.0	-45.89	351.15	9.76	-36.13
CC(C[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084743	0	45	0.0	-46.58	383.51	11.47	-35.11
CC(C[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084744	0	44	0.0	-39.88	365.88	8.83	-31.05
CC(C[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084745	0	47	0.0	-50.33	369.16	9.64	-40.69
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084746	0	51	0.0	-44.49	392.17	11.50	-32.99
COC1=NC=C(Br)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084747	0	42	0.0	-41.99	352.72	7.26	-34.73
COC1=NC=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084748	0	42	0.0	-43.34	331.39	6.68	-36.66
CC(C[NH2+]CC1=CC=C(Br)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084749	0	38	0.0	-38.42	321.91	8.69	-29.73
CC(C[NH2+]CC1=CN=C(N2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084750	0	48	0.0	-47.02	384.47	7.24	-39.78
CC(C[NH2+]CC1=CC=CC2=NC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084751	0	44	0.0	-49.50	346.88	10.18	-39.32
CC(C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084752	0	46	0.0	-48.39	381.71	10.62	-37.77
CC(C[NH2+]CC1=CC=CC2=C1OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084753	0	45	0.0	-41.99	348.54	9.12	-32.87
CC(C[NH2+]CC1=CC=CC2=C1OCCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084754	0	48	0.0	-40.29	365.44	9.92	-30.37
CC(C[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084755	0	46	0.0	-39.34	365.13	12.21	-27.13
CC(C[NH2+]C1CC(C2=CC=CC(Br)=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084756	0	46	0.0	-39.22	369.70	12.31	-26.91
CC(C[NH2+]C1CC(C2=CC=CC=C2Cl)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084757	0	46	0.0	-41.66	368.30	12.11	-29.55
CC(C[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084758	0	47	0.0	-48.27	373.78	11.20	-37.07
CC(C[NH2+]CC1=CN=C(N2CCOCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084759	0	50	0.0	-51.85	388.93	8.31	-43.54
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084760	0	51	0.0	-40.03	389.60	11.89	-28.14
CCCOC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084761	0	49	0.0	-45.75	383.64	10.96	-34.79
C#CCCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084762	0	48	0.0	-42.67	383.25	11.47	-31.20
CC(C[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084763	0	46	0.0	-43.75	376.83	12.51	-31.24
CC(C[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084764	0	46	0.0	-45.93	382.33	12.68	-33.25
CC1=C2C=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)C=NC2=NN1	REAL300018084765	0	44	0.0	-51.29	348.68	8.43	-42.86
CC(C[NH2+]CC1=CC=CC(OC2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084766	0	53	0.0	-41.82	399.71	12.11	-29.71
CCC1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018084767	0	41	0.0	-45.07	338.97	8.65	-36.42
CC(C[NH2+]CC1=CC=CC=C1N1C=NC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084768	0	45	0.0	-43.61	355.09	13.04	-30.57
CN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=CN=C2)=N1	REAL300018084769	0	48	0.0	-51.31	379.88	9.32	-41.99
CN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=NC=C2)=N1	REAL300018084770	0	48	0.0	-48.52	385.12	9.35	-39.17
CC(C[NH2+]CC1=CN=C2C=CC=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084771	0	42	0.0	-52.30	337.63	10.37	-41.93
CN(C)C1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018084772	0	43	0.0	-45.25	352.40	8.85	-36.40
CC(C)OC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084773	0	49	0.0	-45.61	380.07	10.78	-34.83
CN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018084774	0	52	0.0	-51.26	419.22	11.92	-39.34
CC1=CC=C(C2=NC(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)=CS2)C=C1	REAL300018084775	0	48	0.0	-37.70	391.87	11.37	-26.33
CC(C)C1=NC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300018084776	0	44	0.0	-36.22	353.38	8.95	-27.27
CC(C[NH2+]CC1=CSC(C2CC2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084777	0	42	0.0	-36.56	342.07	9.14	-27.42
CC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084778	0	53	0.0	-46.90	425.77	13.38	-33.52
CC(C[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084779	0	49	0.0	-43.88	407.22	10.25	-33.63
CCC1=NC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300018084780	0	41	0.0	-45.45	338.84	8.40	-37.05
CC(CCC1=CC=CC(F)=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084781	0	48	0.0	-43.22	369.85	12.16	-31.06
CC1=CC=CC(CCC(C)[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084782	0	51	0.0	-39.05	383.99	12.70	-26.35
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084783	0	51	0.0	-44.09	406.80	13.08	-31.01
CC1=CC=C(CCC(C)[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084784	0	51	0.0	-40.71	389.16	12.73	-27.98
CC(C1=CC=CC=C1)N1CCC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300018084785	0	54	0.0	-40.37	405.43	10.48	-29.89
CN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018084786	0	51	0.0	-55.04	412.84	11.74	-43.30
CC(C[NH2+]C1CCN(CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084787	1	51	0.0	-38.03	373.47	8.86	-29.17
CC1=CC=C(OCC2=NC(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)=CS2)C=C1	REAL300018084788	0	52	0.0	-43.90	428.62	10.92	-32.98
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084789	0	62	0.0	-39.27	466.00	14.28	-24.99
CC(C)(C)C1=NC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300018084790	0	47	0.0	-39.94	377.49	9.48	-30.46
CC(C[NH2+]CC1=CSC(C2=CSC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084791	0	42	0.0	-37.45	361.50	9.64	-27.81
CC(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084792	0	46	0.0	-44.11	385.04	12.78	-31.33
CC(C[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084793	0	51	0.0	-43.94	389.92	10.62	-33.32
CC(C[NH2+]CC1=CC2=NC=CN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084794	0	43	0.0	-50.21	346.83	8.35	-41.86
CC(C[NH2+]CC1=CC=CC=C1OC1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084795	0	53	0.0	-41.92	404.50	12.19	-29.73
CC(C[NH2+]CC1=CN2C=C(Cl)C=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084796	0	42	0.0	-43.12	354.48	10.95	-32.17
CC(C)(C)C1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018084797	0	47	0.0	-40.82	372.46	9.70	-31.12
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C(C)S1	REAL300018084799	0	42	0.0	-38.01	334.74	10.44	-27.57
CC1=CC=C(C2=CC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1	REAL300018084800	0	49	0.0	-39.35	394.87	13.36	-25.99
CC(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018084801	0	45	0.0	-46.01	371.71	10.21	-35.80
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084802	0	43	0.0	-47.91	373.03	10.37	-37.54
C#CCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084803	0	45	0.0	-43.63	361.76	10.70	-32.93
CC(C[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084804	0	50	0.0	-46.51	414.02	12.99	-33.52
CCOC1=C(OC)C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018084805	0	54	0.0	-47.85	419.38	9.97	-37.88
CC(C[NH2+]C1CCN(CC2=CC=NC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084806	0	53	0.0	-44.75	396.34	8.73	-36.02
COCCCOC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084808	0	53	0.0	-47.67	417.31	10.03	-37.64
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1SC	REAL300018084809	0	47	0.0	-45.12	374.54	10.25	-34.87
CCC(C)OC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018084810	0	56	0.0	-47.90	430.06	11.46	-36.44
C=C(C)COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018084811	0	54	0.0	-44.96	418.54	11.38	-33.58
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OCCC(C)C	REAL300018084812	0	59	0.0	-43.99	446.79	12.13	-31.86
CC(C[NH2+]C1CCN(CCN2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084813	0	60	0.0	-37.17	425.97	5.85	-31.32
CCOCC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018084814	0	53	0.0	-39.12	409.21	10.12	-29.00
CC(C[NH2+]CC1=CC(C2=CC=CC=C2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084815	0	46	0.0	-46.78	365.02	9.84	-36.94
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084816	0	48	0.0	-43.62	383.82	10.86	-32.76
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084817	0	49	0.0	-50.06	408.20	8.45	-41.61
CCCC(CC1=CC=CC=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084818	0	51	0.0	-35.11	380.99	12.71	-22.40
CC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084819	0	45	0.0	-42.79	358.53	9.74	-33.05
CC(C[NH2+]CC1=NC(C2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084820	0	45	0.0	-48.18	373.93	10.70	-37.48
CCN1N=C(C)C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018084821	0	48	0.0	-47.62	374.49	9.57	-38.05
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084822	0	51	0.0	-43.05	406.48	13.06	-29.99
C=CCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018084823	0	47	0.0	-49.92	391.07	11.29	-38.63
CC(C[NH2+]CC1=CN=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084824	0	45	0.0	-46.32	375.81	10.95	-35.37
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084825	0	52	0.0	-42.17	387.58	10.72	-31.45
CC(C)CCC1CCCC1[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084826	0	54	0.0	-36.49	382.44	12.52	-23.97
CCCCC1CCCC1[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084827	0	51	0.0	-39.82	370.91	11.99	-27.83
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C2OC(C)CC2=C1	REAL300018084828	0	51	0.0	-42.27	392.04	9.79	-32.48
CN1N=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C21	REAL300018084829	0	45	0.0	-44.85	355.57	9.83	-35.02
CC(C[NH2+]CC1=C2C=CC=CC2=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084830	0	42	0.0	-47.77	332.51	8.53	-39.24
CC(C[NH2+]CC1=NNC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084830	1	42	0.0	-43.84	337.87	8.56	-35.28
CN(C)C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018084831	0	47	0.0	-49.79	371.85	9.48	-40.31
CC(C[NH2+]CC1=NC=CN1CC(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018084832	0	42	0.0	-41.92	347.98	9.42	-32.50
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084834	0	54	0.0	-38.45	403.58	13.39	-25.06
CC(C[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084835	0	48	0.0	-45.42	401.68	9.39	-36.03
CC(C[NH2+]CC1=CC=C2OC(C)(C)CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084836	0	50	0.0	-43.20	383.04	11.16	-32.04
CC(C[NH2+]CC1=COC(C2=CC=CC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084837	0	45	0.0	-40.00	362.28	8.35	-31.65
CC(C[NH2+]CC1=CSC(C2=CC=CS2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084838	0	42	0.0	-37.69	362.10	9.73	-27.96
CC(CC1=CSC=C1)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084839	0	42	0.0	-38.05	335.79	10.19	-27.86
CC(C[NH2+]CC1CCCCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084840	0	51	0.0	-37.40	347.29	11.09	-26.31
CC1=CC=CC(C2=NNC=C2C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084841	0	49	0.0	-46.24	388.37	10.46	-35.78
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300018084842	0	46	0.0	-48.43	379.01	10.22	-38.21
CC(C[NH2+]CC1=CC=C(Br)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018084843	0	39	0.0	-46.99	344.79	10.99	-36.00
CC(CSC(C)(C)C)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084844	0	48	0.0	-39.16	362.34	10.74	-28.42
CN(C)C1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)N1C	REAL300018084845	0	47	0.0	-45.71	364.23	8.97	-36.74
CC(C[NH2+]CC1=NC(C2=CC=CC=C2)=CN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084846	0	46	0.0	-46.60	369.71	10.24	-36.36
CC(C)COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084847	0	52	0.0	-41.21	397.58	11.64	-29.57
COCCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084848	0	50	0.0	-43.25	389.60	9.42	-33.83
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084849	0	48	0.0	-36.31	394.53	12.79	-23.52
CC(C[NH2+]CC1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084850	0	51	0.0	-37.62	359.61	11.14	-26.48
CC(C[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084851	0	43	0.0	-45.93	360.91	10.03	-35.90
CC(C[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084852	0	47	0.0	-48.64	403.83	11.39	-37.25
CC1=CC(N(C)C)=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084853	0	50	0.0	-38.51	371.18	10.91	-27.60
CC(C[NH2+]CC1=CC=C2CCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084854	0	46	0.0	-39.48	351.16	11.82	-27.66
CC1=CC=CC=C1CC(C)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084855	0	48	0.0	-34.82	355.64	11.70	-23.12
CC1=CC=CC(CC(C)[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084856	0	48	0.0	-34.34	361.83	11.92	-22.42
COC1=CC2=C(C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1)OCO2	REAL300018084857	0	46	0.0	-46.10	364.95	7.94	-38.16
COC1=CC(Cl)=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018084858	0	47	0.0	-42.77	381.36	9.61	-33.16
COC1=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)SC=C1	REAL300018084859	0	40	0.0	-36.84	325.74	8.32	-28.52
CC(C)COC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084860	0	52	0.0	-41.81	398.58	11.62	-30.19
CC(C[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084861	0	59	0.0	-42.79	444.63	8.78	-34.01
CC(C[NH2+]CC1=CC=C(F)C2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084862	0	45	0.0	-45.08	353.00	12.15	-32.93
C=CCOC1=C(Cl)C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018084863	0	51	0.0	-52.05	424.25	11.30	-40.75
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1CN1C=CC=N1	REAL300018084864	0	53	0.0	-47.01	417.72	10.90	-36.11
CC(C)COC1=CC=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084865	0	52	0.0	-37.33	392.87	11.56	-25.77
CC(C[NH2+]CC1=C2OC(C)(C)CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084866	0	50	0.0	-43.50	388.09	11.15	-32.35
CC(C[NH2+]CC1=C(Cl)C=NC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018084867	0	38	0.0	-39.68	334.25	8.98	-30.70
CC(C[NH2+]CC1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084868	0	45	0.0	-45.13	359.31	9.68	-35.45
CC(C[NH2+]CC1=CC=NC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018084869	0	38	0.0	-37.51	316.43	8.71	-28.80
CC(C[NH2+]CC1=CC=NC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018084870	0	38	0.0	-38.11	312.82	8.62	-29.49
CC(C)(C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1)N1CCOCC1	REAL300018084871	0	51	0.0	-42.78	363.59	6.82	-35.96
CC(C[NH2+]CC1=CC(F)=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084872	0	39	0.0	-47.71	338.49	10.61	-37.10
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084873	0	45	0.0	-34.58	360.37	11.72	-22.86
CN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300018084874	0	49	0.0	-51.77	390.08	11.09	-40.68
CC(C[NH2+]CC1=CC=CC(N2C=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084875	0	46	0.0	-47.75	363.98	11.10	-36.65
CC(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018084876	0	44	0.0	-54.30	363.44	11.50	-42.80
CC(C[NH2+]CC1=CC2=CC=NC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084877	0	44	0.0	-45.80	346.62	10.39	-35.41
CC1=C(Br)SC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084878	0	39	0.0	-39.38	337.12	10.35	-29.03
CC(C[NH2+]CC1=CC=CC2=NNC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084879	0	42	0.0	-45.97	331.74	8.61	-37.36
CC(C[NH2+]CC1=CC=CC2=CNN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084880	0	42	0.0	-44.17	331.89	8.60	-35.57
CC(C[NH2+]CC1=CC2=CC(Br)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084881	0	42	0.0	-46.19	359.96	11.07	-35.12
CC(C[NH2+]C1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084882	0	47	0.0	-49.45	363.03	5.74	-43.71
COC1=CC(F)=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084883	0	43	0.0	-43.40	341.54	9.28	-34.12
CC(C)(C)C1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018084884	0	49	0.0	-49.49	382.42	9.89	-39.60
COC1=CC=CC=C1N1CCC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018084885	0	55	0.0	-44.27	406.69	9.84	-34.43
CC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(Cl)=C1	REAL300018084886	0	42	0.0	-34.42	338.84	11.06	-23.36
COC1=CC=C(OC(F)F)C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084887	0	47	0.0	-45.20	378.14	8.84	-36.36
CC(C[NH2+]CC1=C(Cl)C=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018084888	0	43	0.0	-38.06	357.58	9.95	-28.11
CC(C[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084889	0	41	0.0	-52.12	346.29	10.95	-41.17
CC(C[NH2+]CCC1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084890	0	42	0.0	-43.29	349.03	11.22	-32.07
CC(C[NH2+]C1CCCC1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084891	0	49	0.0	-37.50	355.48	12.63	-24.87
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC1=CC=CN=C1	REAL300018084892	0	52	0.0	-49.31	413.94	11.63	-37.68
CC(CC1=CC=C(F)C=C1Br)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084893	0	45	0.0	-37.30	369.83	11.80	-25.50
CC1=CC=C(C2=NC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1	REAL300018084894	0	48	0.0	-42.34	392.04	11.61	-30.73
CC(C[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084895	0	44	0.0	-40.48	362.14	10.95	-29.53
CC(C[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084896	0	44	0.0	-34.60	359.37	10.83	-23.77
CC(C[NH2+]CC1=CC=C(F)C2=CC=CN=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084897	0	44	0.0	-47.52	356.17	10.51	-37.01
CC(C[NH2+]CC1=CC(F)=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084898	0	44	0.0	-41.23	351.83	10.51	-30.72
CC(C[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084899	0	44	0.0	-43.13	359.85	10.87	-32.26
CS(=O)C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084900	0	44	0.0	-49.33	356.83	8.52	-40.81
CC(C[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018084901	0	41	0.0	-44.04	345.65	11.05	-32.99
CC(C)CCN1C=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084902	0	52	0.0	-36.99	392.71	12.29	-24.70
CC(C[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084903	0	46	0.0	-42.40	380.35	11.96	-30.44
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300018084904	0	49	0.0	-40.98	392.81	12.55	-28.43
CCC1=CC=C(C2=CC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300018084905	0	52	0.0	-44.31	413.92	13.26	-31.05
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(OC(F)F)=C1	REAL300018084906	0	47	0.0	-45.53	372.98	8.83	-36.70
CC(C)C1CC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)CCO1	REAL300018084907	0	49	0.0	-40.88	355.34	9.00	-31.88
CCN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300018084908	0	52	0.0	-51.69	411.62	11.96	-39.73
CC(C[NH2+]CC1=CC=C2CCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084909	0	49	0.0	-42.94	373.48	12.42	-30.52
CC(C[NH2+]C1CCC(C2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084910	0	58	0.0	-37.66	400.76	13.14	-24.52
CC(C)CC(C)CC(C)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084911	0	53	0.0	-35.90	377.58	11.50	-24.40
CC1=CC=C(C(C)C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084912	0	48	0.0	-42.00	368.21	11.91	-30.09
COC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C(C)(C)C	REAL300018084913	0	55	0.0	-40.90	406.29	11.89	-29.01
COCC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)O1	REAL300018084914	0	43	0.0	-40.23	341.94	7.93	-32.30
CC(C)(C)OC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084915	0	52	0.0	-42.06	386.02	11.03	-31.03
CC(C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300018084916	0	51	0.0	-40.64	366.64	11.37	-29.27
CC(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084917	0	44	0.0	-52.02	358.80	4.88	-47.14
CC(C[NH2+]C1CCC2=CC=CC(Cl)=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084918	0	46	0.0	-37.05	357.30	11.86	-25.19
CCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018084919	0	49	0.0	-41.02	371.57	10.75	-30.27
COC1=CC(C)=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084920	0	46	0.0	-42.57	360.35	9.95	-32.62
CC(C[NH2+]CC1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084921	0	49	0.0	-41.84	364.15	12.36	-29.48
CC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300018084922	0	41	0.0	-45.47	352.45	9.02	-36.45
CC(C[NH2+]C1CCC(C2=CC=C(F)C=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084923	0	49	0.0	-40.50	370.30	12.36	-28.14
COCC1=CSC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084924	0	43	0.0	-38.79	351.14	8.74	-30.05
CCCC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018084925	0	45	0.0	-36.88	360.71	11.36	-25.52
CC(C)N1C=CN=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084926	0	45	0.0	-41.38	351.64	9.74	-31.64
CC1=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=CC=C1[N+](=O)[O-]	REAL300018084927	0	44	0.0	-53.07	344.11	10.97	-42.10
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Br	REAL300018084928	0	42	0.0	-42.11	345.12	11.10	-31.01
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300018084929	0	43	0.0	-44.77	351.15	9.75	-35.02
COC1=CC=CC(C)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084930	0	46	0.0	-37.95	349.92	9.83	-28.12
CC(C[NH2+]CC1=C2OC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084931	0	42	0.0	-43.20	332.96	10.23	-32.97
CC(C[NH2+]CC1=NN(C2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084932	0	46	0.0	-39.92	364.51	11.02	-28.90
CC(C[NH2+]CC1=CN=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084933	0	38	0.0	-46.24	331.69	8.33	-37.91
CCC1=NN(C)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084934	0	45	0.0	-43.31	343.02	8.98	-34.33
CC(C[NH2+]CC1=NN2CCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084935	0	46	0.0	-41.85	355.38	9.27	-32.58
COC1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018084936	0	39	0.0	-46.40	328.30	5.54	-40.86
CC(C[NH2+]C1CC2=CC=C(Cl)C=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084937	0	43	0.0	-41.00	344.14	11.48	-29.52
CC(C[NH2+]CC1=CC2=C(C=N1)OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084938	0	44	0.0	-40.34	345.05	7.27	-33.07
CC(C[NH2+]CC1=CN=C2C=CC(Cl)=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084939	0	42	0.0	-49.41	354.35	10.88	-38.53
CC1=CC=CN2C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)=CN=C12	REAL300018084940	0	45	0.0	-48.14	353.91	10.95	-37.19
CN1C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CN=C1Cl	REAL300018084941	0	39	0.0	-51.65	327.12	8.79	-42.86
CN1C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CN=C1Br	REAL300018084942	0	39	0.0	-51.66	331.41	8.82	-42.84
CC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084943	0	45	0.0	-43.21	364.94	9.81	-33.40
CC(C[NH2+]CC1=CC(C(F)(F)F)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084944	0	39	0.0	-53.51	331.84	7.27	-46.24
CC(C[NH2+]CC1=CC2=C(F)C=CC=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084945	0	43	0.0	-43.74	344.01	9.93	-33.81
CC(C[NH2+]CC1=CC2=CC=C(F)C=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084946	0	43	0.0	-49.21	349.08	9.94	-39.27
CCOC1=CC=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300018084947	0	45	0.0	-42.56	359.81	7.53	-35.03
CC1=C(Cl)C=CC=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084948	0	42	0.0	-42.14	335.07	10.90	-31.24
CC(C[NH2+]CC1=CC2=CC=NC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084949	0	41	0.0	-46.83	342.91	9.68	-37.15
CC1=CC=CC2=NC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)N21	REAL300018084950	0	45	0.0	-46.61	342.96	10.73	-35.88
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084951	0	51	0.0	-45.08	389.67	10.63	-34.45
C=CCCCCCC(C)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084952	0	51	0.0	-36.61	380.83	11.97	-24.64
CC1=CC(Cl)=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084953	0	42	0.0	-39.95	343.75	11.08	-28.87
COCC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084954	0	46	0.0	-41.39	359.68	9.65	-31.74
COCC(CC(C)(C)C)[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084955	0	51	0.0	-39.19	369.96	9.42	-29.77
CC(C[NH2+]CC1=CC2=CC=CC(F)=C2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084956	0	44	0.0	-53.38	353.03	10.34	-43.04
CC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC2=CC=CN=C12	REAL300018084957	0	47	0.0	-48.80	372.03	11.13	-37.67
CC(C)C1CCCC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300018084958	0	51	0.0	-37.35	359.12	11.25	-26.10
CCCOC1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300018084959	0	52	0.0	-40.88	398.55	11.68	-29.20
COC1=C(C)C=NC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018084960	0	48	0.0	-45.12	373.25	8.73	-36.39
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084961	0	49	0.0	-42.03	379.45	11.55	-30.48
CC(C[NH2+]C1CCCCC12CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084962	0	52	0.0	-36.40	357.66	11.76	-24.64
CC(C[NH2+]CC1=CC=C(S(C)(=O)=O)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084963	0	42	0.0	-53.25	363.88	6.62	-46.63
CC(C[NH2+]CC1=C2N=CC(Br)=CN2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084964	0	41	0.0	-43.54	349.52	9.45	-34.09
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300018084965	0	58	0.0	-44.05	447.14	14.14	-29.91
CC(C[NH2+]CC1=CC=CC(F)=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300018084966	0	41	0.0	-42.26	321.63	8.04	-34.22
CC1CC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)CCN1CC1=CC=CC=C1	REAL300018084967	0	57	0.0	-39.92	415.55	11.10	-28.82
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084968	0	59	0.0	-34.80	432.46	12.40	-22.40
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084969	0	59	0.0	-40.83	453.21	13.04	-27.79
CC(C[NH2+]CC1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084970	0	42	0.0	-47.21	342.97	10.80	-36.41
CC(C[NH2+]CC1=CC2=CC(Cl)=CN=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084971	0	41	0.0	-47.99	350.20	7.90	-40.09
CC(C[NH2+]CC1=CC=CC2=C1CCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084972	0	46	0.0	-42.58	355.00	11.75	-30.83
CN1C=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C([N+](=O)[O-])=N1	REAL300018084973	0	41	0.0	-58.50	333.79	9.29	-49.21
CC(C[NH2+]CC1=NC(Cl)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084974	0	35	0.0	-45.55	307.38	7.47	-38.08
COC1=NSC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084975	0	39	0.0	-44.25	322.93	5.83	-38.42
CC(C[NH2+]CC1=CN=C2C=CC(Br)=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018084976	0	42	0.0	-45.41	353.74	10.96	-34.45
CC(C[NH2+]CC1=NC=CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018084977	0	44	0.0	-41.66	348.52	10.22	-31.44
COC1=CC=CC(Cl)=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084978	0	43	0.0	-33.52	347.84	9.67	-23.85
CC1=NC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)N1C1=CC=CC=C1	REAL300018084979	0	49	0.0	-44.13	389.81	12.20	-31.93
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084980	0	57	0.0	-42.71	435.62	14.55	-28.16
CCCN1N=C(C)C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018084981	0	51	0.0	-43.56	390.82	10.30	-33.26
CCN(CC)C1=CC=C(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018084982	0	53	0.0	-45.32	406.09	11.08	-34.24
CCOC1CC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C12CCCC2	REAL300018084983	0	53	0.0	-37.83	388.89	11.22	-26.61
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C(SC)C=C1OC	REAL300018084984	0	51	0.0	-42.12	399.92	10.05	-32.07
CN(C)C1=CC=C(N2CCC([NH2+]CC(C)(C(=O)[O-])C3=CC=CC=C3)CC2)C=C1	REAL300018084985	0	59	0.0	-43.74	430.74	10.66	-33.08
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084986	0	50	0.0	-43.04	387.41	12.43	-30.61
CC(C[NH2+]C1CCCC12CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018084987	0	49	0.0	-33.93	343.99	11.40	-22.53
CCCC(C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300018084988	0	51	0.0	-42.61	388.09	12.65	-29.96
CC1CC([NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)CC(C2=CC=CC=C2)C1	REAL300018084989	0	55	0.0	-38.19	397.22	13.57	-24.62
CC(C[NH2+]CC1=CN=C(C2CC2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084990	0	42	0.0	-46.42	339.50	7.24	-39.18
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084991	0	49	0.0	-42.49	385.11	10.90	-31.59
CC(C[NH2+]CC1=NC2=CC=C(F)C=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018084992	0	41	0.0	-43.92	343.70	9.43	-34.49
CC(C[NH2+]CC1=CC(F)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018084993	0	43	0.0	-46.07	355.07	9.64	-36.43
COC1=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC2=CC=CC=C21	REAL300018084994	0	49	0.0	-43.02	380.09	11.52	-31.50
CCOC1=CN=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084995	0	45	0.0	-44.01	351.90	8.31	-35.70
CCOC1=CC(F)=CC(C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018084996	0	46	0.0	-42.82	363.39	10.20	-32.62
COC1=CC=C(C(C)C[NH2+]CC(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018084997	0	49	0.0	-43.54	376.27	10.51	-33.03
CN1N=C(C2CC2)C=C1C[NH2+]CC(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018084998	0	46	0.0	-45.99	357.94	9.56	-36.43
CC(C[NH2+]C1CCC2(CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018085000	0	55	0.0	-38.47	378.25	11.80	-26.67
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1F	REAL300018087212	0	42	0.0	-99.11	373.66	10.33	-88.78
CC1(C)CCCCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087213	0	48	0.0	-86.46	373.09	10.07	-76.39
CC(C)=CCCC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087215	0	48	0.0	-88.94	395.89	10.73	-78.21
CC(C)(C)C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087216	0	41	0.0	-88.29	342.79	8.72	-79.57
CC1(C)CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC(C)(C)C1	REAL300018087217	0	54	0.0	-90.40	416.87	10.93	-79.47
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4S3)=C2)=N1	REAL300018087218	0	42	0.0	-96.40	384.32	11.17	-85.23
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087219	0	49	0.0	-96.77	416.22	10.47	-86.30
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC=C1F	REAL300018087220	0	42	0.0	-100.85	373.66	10.32	-90.53
CC1CCC(C)C([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087221	0	48	0.0	-88.59	377.30	10.11	-78.48
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4NC=CC4=CC=C3)=C2)=N1	REAL300018087222	0	43	0.0	-97.51	378.29	9.63	-87.88
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)=C2)=N1	REAL300018087223	1	38	0.0	-112.43	366.98	9.43	-103.00
CC1CC(C)CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087224	0	48	0.0	-89.27	380.46	9.99	-79.28
CC(C)CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087225	0	51	0.0	-93.37	428.08	12.31	-81.06
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC(C)=C1	REAL300018087226	0	45	0.0	-94.07	389.75	10.95	-83.12
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1[N+](=O)[O-]	REAL300018087227	0	45	0.0	-114.81	402.46	10.36	-104.45
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)=C2)=N1	REAL300018087228	0	39	0.0	-100.90	380.39	10.64	-90.26
CC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087229	0	45	0.0	-93.44	380.10	10.70	-82.74
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)=C2)=N1	REAL300018087230	0	43	0.0	-100.00	386.19	9.21	-90.79
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC=CS3)=C2)=N1	REAL300018087231	1	35	0.0	-92.40	331.72	6.77	-85.63
CC(C)C1CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087232	0	51	0.0	-89.24	401.72	10.75	-78.49
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=CN=C3)=C2)=N1	REAL300018087233	0	37	0.0	-102.70	336.56	7.63	-95.07
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=NC4=CC=CC=C34)=C2)=N1	REAL300018087234	0	44	0.0	-105.38	383.38	9.89	-95.49
CC1CCCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087235	0	42	0.0	-87.73	349.17	9.09	-78.64
CC(CCOCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087236	0	52	0.0	-92.19	437.92	11.04	-81.15
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)=C2)=N1	REAL300018087237	0	46	0.0	-96.87	406.49	11.95	-84.92
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCOCC3)=C2)=N1	REAL300018087238	0	40	0.0	-91.65	336.95	6.63	-85.02
CC(C)CCCC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087239	0	50	0.0	-88.05	404.55	10.80	-77.25
CCCCC(CC)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087240	0	47	0.0	-85.96	379.65	10.10	-75.86
CCC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087241	0	42	0.0	-91.71	380.53	10.31	-81.40
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CCCOC3)=C2)=N1	REAL300018087242	0	41	0.0	-93.63	353.92	7.45	-86.18
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087243	0	45	0.0	-102.19	393.35	9.97	-92.22
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4OCCC4=C3)=C2)=N1	REAL300018087244	0	44	0.0	-99.27	382.82	9.47	-89.80
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)=C2)=N1	REAL300018087245	0	50	0.0	-99.32	420.85	9.53	-89.79
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=CS3)=C2)=N1	REAL300018087246	0	35	0.0	-96.35	331.68	6.88	-89.47
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4C=CNC4=CC=C3)=C2)=N1	REAL300018087247	0	43	0.0	-93.25	378.11	9.64	-83.61
CN1C=NC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087248	0	39	0.0	-100.27	347.08	8.76	-91.51
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4C=CNC4=C3)=C2)=N1	REAL300018087249	0	43	0.0	-97.39	378.30	9.65	-87.74
CC1=NN(C)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087250	0	42	0.0	-102.43	369.49	7.78	-94.65
CC(CC1=CC=CS1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087251	0	42	0.0	-86.65	372.36	10.07	-76.58
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087252	0	42	0.0	-99.76	368.17	10.33	-89.43
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087253	0	54	0.0	-90.34	426.22	12.57	-77.77
CN(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087254	0	47	0.0	-89.06	398.04	9.66	-79.40
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CSC=N3)=C2)=N1	REAL300018087255	1	35	0.0	-90.90	331.55	6.63	-84.27
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)=C2)=N1	REAL300018087256	0	49	0.0	-97.73	406.84	7.47	-90.26
CC1=NNC(C)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087257	0	42	0.0	-98.32	367.42	7.16	-91.16
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087258	0	48	0.0	-96.68	409.69	9.44	-87.24
CN1N=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087259	0	39	0.0	-101.79	347.55	7.19	-94.60
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)=C2)=N1	REAL300018087260	0	49	0.0	-103.94	415.95	9.50	-94.44
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087261	0	48	0.0	-98.93	412.15	9.27	-89.66
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087262	0	50	0.0	-96.06	431.92	9.12	-86.94
COC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1Cl	REAL300018087263	0	43	0.0	-100.48	392.47	9.47	-91.01
COC1=NC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087264	0	42	0.0	-92.37	372.65	6.41	-85.96
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)=C2)=N1	REAL300018087265	0	44	0.0	-104.98	383.04	9.88	-95.10
CC1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087266	0	38	0.0	-96.10	353.64	7.59	-88.51
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCCO4)=C2)=N1	REAL300018087267	0	45	0.0	-93.03	389.85	8.84	-84.19
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)=C2)=N1	REAL300018087268	0	48	0.0	-94.27	408.57	9.61	-84.66
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)=C2)=N1	REAL300018087269	0	46	0.0	-95.29	407.47	11.93	-83.36
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)=C2)=N1	REAL300018087270	0	46	0.0	-94.24	403.42	11.84	-82.40
CCCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087271	0	49	0.0	-94.87	419.79	10.65	-84.22
CC(CN1C=NC=N1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087272	0	41	0.0	-89.70	356.22	10.03	-79.67
C#CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087273	0	48	0.0	-97.92	425.57	11.17	-86.75
CC1=C2C=C(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)C=NC2=NN1	REAL300018087274	0	44	0.0	-111.16	390.00	8.15	-103.01
CC1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087275	0	40	0.0	-102.77	358.40	7.60	-95.17
CCC1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087276	0	41	0.0	-96.01	375.12	8.34	-87.67
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)=C2)=N1	REAL300018087277	0	45	0.0	-87.39	391.26	12.73	-74.66
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C4C=CC=CN34)=C2)=N1	REAL300018087278	0	42	0.0	-104.18	373.78	10.07	-94.11
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087279	0	43	0.0	-94.88	387.69	8.59	-86.29
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087280	0	49	0.0	-98.02	416.21	10.47	-87.55
CC(C)C1=NC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CS1	REAL300018087281	1	44	0.0	-90.48	394.70	8.66	-81.82
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CSC(C4CC4)=N3)=C2)=N1	REAL300018087282	1	42	0.0	-90.92	383.39	8.85	-82.07
CCC1=NC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CS1	REAL300018087283	1	41	0.0	-90.65	374.98	8.10	-82.55
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087284	0	48	0.0	-95.42	410.31	11.83	-83.59
CC1=CC=CC(CCC(C)[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087285	0	51	0.0	-92.00	425.30	12.43	-79.57
CC1=CC=C(CCC(C)[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087286	0	51	0.0	-92.26	425.30	12.44	-79.82
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC(F)(F)CC3)=C2)=N1	REAL300018087287	0	42	0.0	-97.64	356.94	9.15	-88.49
O=C([O-])C1=CSC(C2=CC=CC(CNC3CC[NH+](CC4CC4)CC3)=C2)=N1	REAL300018087288	1	51	0.0	-81.73	412.63	9.88	-71.85
CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CS1	REAL300018087289	1	47	0.0	-91.16	413.64	9.17	-81.99
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)=C2)=N1	REAL300018087290	0	43	0.0	-104.36	382.97	8.04	-96.32
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)=C2)=N1	REAL300018087291	0	42	0.0	-94.84	390.63	10.64	-84.20
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087292	0	47	0.0	-95.20	413.77	9.42	-85.78
CC(C)C[NH+]1CCC(NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087293	1	53	0.0	-80.97	419.96	9.77	-71.20
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C(C)S1	REAL300018087294	0	42	0.0	-94.03	376.04	10.15	-83.88
CC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CCCC1	REAL300018087295	0	45	0.0	-88.05	364.84	9.68	-78.37
C#CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087296	0	45	0.0	-99.85	404.08	10.40	-89.45
CC(C)(C)[NH+]1CCC(NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087297	0	53	0.0	-77.84	410.31	9.08	-68.76
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)=C2)=N1	REAL300018087298	0	46	0.0	-104.77	406.34	9.56	-95.21
C=CCCC(CC)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087299	0	45	0.0	-87.40	370.96	9.88	-77.52
CCN1C=CN=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087300	1	42	0.0	-95.48	363.81	8.97	-86.51
CCOCC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087301	0	42	0.0	-87.18	357.75	7.34	-79.84
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087302	0	51	0.0	-87.69	421.36	12.35	-75.34
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)=C2)=N1	REAL300018087303	1	45	0.0	-102.01	399.84	9.45	-92.56
CCN1N=C(C)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1C	REAL300018087304	0	48	0.0	-98.07	409.62	9.23	-88.84
C=CCC(C)C(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087305	0	45	0.0	-89.33	369.42	9.60	-79.73
CC(C)CCC1CCCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087306	0	54	0.0	-89.44	424.63	12.23	-77.21
CCCCC1CCCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087307	0	51	0.0	-89.29	412.38	11.35	-77.94
CN1N=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C2=CC=CC=C21	REAL300018087308	0	45	0.0	-96.59	396.89	9.54	-87.05
CN1C=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087309	1	39	0.0	-91.56	349.81	7.34	-84.22
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4C=CC=CC4=NN3)=C2)=N1	REAL300018087310	0	42	0.0	-109.05	373.82	8.24	-100.81
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1F	REAL300018087311	0	47	0.0	-100.98	408.00	9.17	-91.81
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)=C2)=N1	REAL300018087312	1	42	0.0	-99.58	384.46	9.11	-90.47
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=CC=C2O1	REAL300018087313	0	50	0.0	-98.92	424.34	10.87	-88.05
CC1=NSC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087314	0	38	0.0	-100.33	353.49	8.04	-92.29
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)=C2)=N1	REAL300018087315	1	45	0.0	-95.79	403.59	8.06	-87.73
CC(CC1=CSC=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087316	0	42	0.0	-88.24	371.93	9.93	-78.31
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3CCCCCCC3)=C2)=N1	REAL300018087317	0	51	0.0	-92.91	389.61	10.82	-82.09
CC1=CSC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087318	1	38	0.0	-93.27	353.52	7.36	-85.91
CC1=NC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087319	0	41	0.0	-98.76	356.84	8.43	-90.33
CC(CSC(C)(C)C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087320	0	48	0.0	-84.57	402.80	10.40	-74.17
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N1C	REAL300018087321	0	47	0.0	-101.02	405.58	8.70	-92.32
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)=C2)=N1	REAL300018087322	1	46	0.0	-99.58	405.85	9.93	-89.65
CC(C)OCC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087323	0	45	0.0	-87.12	378.02	8.10	-79.02
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087324	0	52	0.0	-96.74	439.89	11.35	-85.39
COCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087325	0	50	0.0	-99.15	431.92	9.12	-90.03
COCC(CC(C)C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087326	0	48	0.0	-85.97	392.62	8.46	-77.51
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCCOC3)=C2)=N1	REAL300018087327	0	40	0.0	-90.00	336.89	6.66	-83.34
CC1(C)CCCC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087328	0	51	0.0	-92.62	401.92	10.86	-81.76
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087329	0	50	0.0	-93.22	413.86	10.56	-82.66
CC1(C)CCCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087330	0	45	0.0	-86.87	363.61	9.96	-76.91
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4CCCC4=C3)=C2)=N1	REAL300018087331	0	46	0.0	-94.43	392.45	11.54	-82.89
CC1=CC=CC=C1CC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087332	0	48	0.0	-88.53	397.75	11.42	-77.11
CC1=CC=CC(CC(C)[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087333	0	48	0.0	-88.07	403.18	11.65	-76.42
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC(C3=NC(C(=O)[O-])=CS3)=C1)OCO2	REAL300018087334	0	46	0.0	-95.83	401.09	7.65	-88.18
COC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)SC=C1	REAL300018087335	0	40	0.0	-86.50	367.05	8.03	-78.47
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087336	0	52	0.0	-94.59	439.90	11.35	-83.24
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)=C2)=N1	REAL300018087337	0	45	0.0	-104.40	393.47	11.79	-92.61
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CCC3CCOCC3)=C2)=N1	REAL300018087338	0	46	0.0	-95.22	380.36	8.18	-87.04
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3CCSCC3)=C2)=N1	REAL300018087339	0	43	0.0	-97.33	367.52	9.69	-87.64
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087340	0	52	0.0	-88.58	438.54	11.41	-77.17
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3CCCCCC3)=C2)=N1	REAL300018087341	0	48	0.0	-92.08	379.33	10.40	-81.68
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=C2O1	REAL300018087342	0	50	0.0	-88.45	424.14	10.84	-77.61
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)=C2)=N1	REAL300018087343	1	38	0.0	-89.37	370.39	8.67	-80.70
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC4=C(CCCC4)S3)=C2)=N1	REAL300018087344	1	45	0.0	-92.73	395.46	9.37	-83.36
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=NC=C3Cl)=C2)=N1	REAL300018087345	0	38	0.0	-95.95	354.19	8.33	-87.62
CC(C)(C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)N1CCOCC1	REAL300018087346	0	51	0.0	-92.56	400.14	6.65	-85.91
CCC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CCCC1	REAL300018087347	0	48	0.0	-86.58	379.15	10.23	-76.35
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=NN1C	REAL300018087348	1	42	0.0	-91.27	369.29	7.80	-83.47
CCC1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087349	0	43	0.0	-102.70	379.89	8.21	-94.49
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)=C2)=N1	REAL300018087350	0	46	0.0	-97.08	405.35	10.82	-86.26
CCN1C=NC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087352	0	42	0.0	-97.99	363.71	9.77	-88.22
CC1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N1C	REAL300018087353	0	42	0.0	-99.66	367.88	8.62	-91.04
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)=C2)=N1	REAL300018087354	0	44	0.0	-103.44	387.94	10.11	-93.33
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=NNC=C43)=C2)=N1	REAL300018087355	0	42	0.0	-107.30	373.06	8.32	-98.98
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=CNN=C43)=C2)=N1	REAL300018087356	0	42	0.0	-89.94	373.21	8.31	-81.63
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C4CCCN34)=C2)=N1	REAL300018087357	0	43	0.0	-99.88	372.94	9.21	-90.67
CS(=O)(=O)N1CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087358	0	47	0.0	-105.09	400.67	5.47	-99.62
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C=N3)=C2)=N1	REAL300018087359	0	38	0.0	-96.67	348.32	7.88	-88.79
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)SC=N1	REAL300018087360	0	38	0.0	-96.72	350.85	7.38	-89.34
COC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087361	0	43	0.0	-99.63	382.85	8.99	-90.64
CC(CC1=CN=CC=N1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087362	0	43	0.0	-85.90	369.47	8.01	-77.89
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087363	0	49	0.0	-102.12	418.56	9.58	-92.54
CC1=NOC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087364	1	38	0.0	-101.37	343.86	7.80	-93.57
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=CO1	REAL300018087365	0	39	0.0	-93.68	346.85	8.42	-85.26
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(Cl)=C1	REAL300018087366	0	42	0.0	-88.91	381.04	10.73	-78.18
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CCC3=CC=CC(Cl)=C3)=C2)=N1	REAL300018087367	0	42	0.0	-96.48	385.17	10.92	-85.56
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCCC3C3=CC=CC=C3)=C2)=N1	REAL300018087369	0	49	0.0	-86.57	397.41	12.32	-74.25
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)=C2)=N1	REAL300018087370	0	44	0.0	-93.59	392.31	10.20	-83.39
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)=C2)=N1	REAL300018087371	0	44	0.0	-91.90	393.11	10.23	-81.67
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087372	0	44	0.0	-108.71	399.15	8.22	-100.49
CC(C)CCN1C=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087373	0	52	0.0	-95.43	433.93	12.02	-83.41
CCC1CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CCO1	REAL300018087374	0	46	0.0	-92.39	378.92	8.22	-84.17
CC(C)C1CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CCO1	REAL300018087375	0	49	0.0	-92.54	395.92	8.75	-83.79
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4CCCCC4=C3)=C2)=N1	REAL300018087376	0	49	0.0	-93.92	409.63	12.12	-81.80
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC(C4CCCCC4)CC3)=C2)=N1	REAL300018087377	0	58	0.0	-89.30	436.90	12.83	-76.47
CC(C)CC(C)CC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087378	0	53	0.0	-88.46	418.45	11.19	-77.27
CCC1CCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087379	0	42	0.0	-87.97	356.02	9.27	-78.70
CC1=CC=C(C(C)C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087380	0	48	0.0	-93.23	404.35	11.62	-81.61
COCC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300018087381	0	43	0.0	-95.72	383.26	7.65	-88.07
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087382	0	52	0.0	-94.73	427.34	10.76	-83.97
CC(C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CCCCC1	REAL300018087383	0	51	0.0	-91.51	402.79	11.08	-80.43
CCC(CC)(CC)C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087384	0	50	0.0	-89.25	385.46	10.12	-79.13
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)=C2)=N1	REAL300018087386	0	46	0.0	-92.24	398.33	11.60	-80.64
CC1=CNC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087387	1	39	0.0	-96.24	348.28	6.95	-89.29
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C)=C1	REAL300018087388	0	49	0.0	-96.55	413.11	10.48	-86.07
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087389	0	46	0.0	-88.45	396.49	9.65	-78.80
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3CCC4=CC=CC=C4C3)=C2)=N1	REAL300018087390	0	49	0.0	-97.73	406.46	12.08	-85.65
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)=C2)=N1	REAL300018087391	0	49	0.0	-97.57	413.81	12.04	-85.53
CC1=NC(C)=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300018087392	0	41	0.0	-98.49	364.99	5.77	-92.72
COCC1=CSC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087393	0	43	0.0	-93.95	392.46	8.46	-85.49
CCCC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087394	0	45	0.0	-92.16	402.02	11.09	-81.07
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N=C1	REAL300018087395	0	41	0.0	-91.29	363.35	8.46	-82.83
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=NS3)=C2)=N1	REAL300018087396	0	35	0.0	-99.16	331.73	7.45	-91.71
CC(C)N1C=CN=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087397	1	45	0.0	-95.35	387.79	9.44	-85.91
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=CC=C1[N+](=O)[O-]	REAL300018087398	0	44	0.0	-110.48	387.24	10.88	-99.60
COC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC=C1Cl	REAL300018087399	0	43	0.0	-103.20	392.47	9.47	-93.73
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CS1	REAL300018087400	0	39	0.0	-93.90	358.80	9.37	-84.53
COC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087401	0	46	0.0	-88.38	392.10	9.50	-78.88
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4OC=CC4=CC=C3)=C2)=N1	REAL300018087402	0	42	0.0	-93.89	374.27	9.95	-83.94
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)=C2)=N1	REAL300018087403	1	46	0.0	-94.53	405.82	10.75	-83.78
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)=C2)=N1	REAL300018087404	0	38	0.0	-105.42	373.00	8.04	-97.38
CC1CSCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087405	0	40	0.0	-94.13	348.24	8.79	-85.34
CCC1=NN(C)C=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087406	0	45	0.0	-98.91	390.88	8.76	-90.15
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN4CCCCC4=C3)=C2)=N1	REAL300018087407	1	46	0.0	-91.71	391.53	8.96	-82.75
CCC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087408	0	45	0.0	-93.97	389.82	11.06	-82.91
COC1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087409	0	39	0.0	-98.55	364.44	5.24	-93.31
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)=C2)=N1	REAL300018087410	0	43	0.0	-99.72	385.45	11.22	-88.50
CC1=NC=CN=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087411	0	40	0.0	-96.73	353.90	6.43	-90.30
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4(CC4)CC3)=C2)=N1	REAL300018087412	0	46	0.0	-90.51	377.23	10.32	-80.19
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)=C2)=N1	REAL300018087413	0	44	0.0	-95.29	386.36	6.99	-88.30
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)=C2)=N1	REAL300018087414	0	42	0.0	-102.20	390.50	10.57	-91.63
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3C[C@@H]4CC[C@@H](C4)C3)=C2)=N1	REAL300018087415	0	46	0.0	-81.07	347.60	10.49	-70.58
CC1=CC=CN2C(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=CN=C12	REAL300018087416	0	45	0.0	-102.69	395.22	10.66	-92.03
CCN1N=CN=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087417	1	41	0.0	-102.92	360.36	8.80	-94.12
CN1C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CN=C1Cl	REAL300018087418	0	39	0.0	-104.84	363.27	8.49	-96.35
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)=C2)=N1	REAL300018087419	0	39	0.0	-108.71	368.00	6.97	-101.74
CC1=CN=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N1C	REAL300018087420	1	42	0.0	-96.11	367.25	8.47	-87.64
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)=C2)=N1	REAL300018087421	0	43	0.0	-102.37	385.32	9.64	-92.73
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)=C2)=N1	REAL300018087422	0	43	0.0	-103.95	385.23	9.64	-94.31
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087423	0	45	0.0	-95.26	395.96	7.22	-88.04
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087424	0	42	0.0	-97.63	376.44	10.62	-87.01
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=NC=C4S3)=C2)=N1	REAL300018087425	0	41	0.0	-101.33	379.06	9.38	-91.95
CC1=CC=CC2=NC=C(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)N21	REAL300018087426	0	45	0.0	-102.46	384.28	10.45	-92.01
CCC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CC1(C)C	REAL300018087427	0	48	0.0	-86.30	389.46	10.49	-75.81
C=CCCCCCC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087428	0	51	0.0	-88.14	421.29	11.64	-76.50
C=CCCCCC(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087429	0	48	0.0	-88.61	399.79	10.86	-77.75
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087430	0	42	0.0	-97.41	385.07	10.79	-86.62
COCC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087431	0	46	0.0	-96.50	402.00	9.36	-87.14
COCC(CC(C)(C)C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087432	0	51	0.0	-84.47	405.87	9.14	-75.33
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)=C2)=N1	REAL300018087433	0	44	0.0	-108.82	394.35	10.06	-98.76
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC2=CC=CN=C12	REAL300018087434	0	47	0.0	-103.10	408.18	10.82	-92.28
CC(C)C1CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087435	0	51	0.0	-87.95	395.28	10.95	-77.00
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)SN=N1	REAL300018087436	0	37	0.0	-106.05	346.10	6.78	-99.27
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1C	REAL300018087437	0	52	0.0	-96.94	439.87	11.40	-85.54
COC1=C(C)C=NC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1C	REAL300018087438	0	48	0.0	-93.82	409.39	8.43	-85.39
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCCCC34CCCC4)=C2)=N1	REAL300018087439	0	52	0.0	-87.80	396.53	11.33	-76.47
CCC1CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087440	0	48	0.0	-87.61	378.45	10.48	-77.13
NC1=C(F)C=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087441	0	41	0.0	-97.79	362.95	7.75	-90.04
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)=C2)=N1	REAL300018087442	0	42	0.0	-99.51	379.12	10.50	-89.01
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)=C2)=N1	REAL300018087443	0	41	0.0	-103.26	386.35	7.60	-95.66
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCC4)=C2)=N1	REAL300018087444	0	46	0.0	-94.59	391.15	11.45	-83.14
CN1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C([N+](=O)[O-])=N1	REAL300018087445	1	41	0.0	-107.76	375.11	9.01	-98.75
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC(Cl)=CS3)=C2)=N1	REAL300018087446	1	35	0.0	-96.69	348.70	7.19	-89.50
COC1=NSC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087447	0	39	0.0	-101.65	364.25	5.54	-96.11
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)=C2)=N1	REAL300018087448	0	44	0.0	-95.36	384.65	9.91	-85.45
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087449	1	43	0.0	-83.68	389.14	9.40	-74.28
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=NN1C	REAL300018087450	0	42	0.0	-96.70	366.53	7.89	-88.81
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1C	REAL300018087451	0	51	0.0	-97.29	432.13	10.02	-87.27
CCOC1CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C12CCCC2	REAL300018087452	0	53	0.0	-88.32	428.29	10.70	-77.62
CCC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CCC1	REAL300018087453	0	45	0.0	-86.65	362.59	9.70	-76.95
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4CCC(C4)C3)=C2)=N1	REAL300018087454	0	46	0.0	-81.11	347.58	10.49	-70.62
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCCC34CCCC4)=C2)=N1	REAL300018087455	0	49	0.0	-87.90	384.63	11.09	-76.81
CCCC(C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1=CC=CC=C1	REAL300018087456	0	51	0.0	-95.03	423.98	12.35	-82.68
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)O3)=C2)=N1	REAL300018087457	1	42	0.0	-97.83	375.65	6.93	-90.90
CC(C)(C)C1CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087458	0	48	0.0	-89.72	387.60	10.16	-79.56
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)=C2)=N1	REAL300018087459	0	41	0.0	-98.21	385.01	9.15	-89.06
CCOC1=CN=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087460	0	45	0.0	-99.77	393.22	8.03	-91.74
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087461	0	46	0.0	-99.51	404.70	9.92	-89.59
COC1=CC=C(C(C)C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087462	0	49	0.0	-96.30	412.43	10.23	-86.07
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087463	0	46	0.0	-103.24	399.26	9.28	-93.96
O=C([O-])C1=CSC(C2=CC=CC(CNC3CC[N@@H+]4CCCC4C3)=C2)=N1	REAL300018087464	1	48	0.0	-76.35	384.40	9.16	-67.19
O=C([O-])C1=CSC(C2=CC=CC(CNC3CC[N@H+]4CCCC4C3)=C2)=N1	REAL300018087464	1	48	0.0	-77.35	384.43	9.18	-68.17
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4(CCCCC4)CC3)=C2)=N1	REAL300018087465	0	55	0.0	-90.84	414.40	11.50	-79.34
CC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C(C)C1=CC=CC=C1	REAL300018087466	0	48	0.0	-90.36	397.46	11.30	-79.06
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)=C2)=N1	REAL300018087467	0	47	0.0	-101.24	400.09	10.71	-90.53
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=NN3CC3CC3)=C2)=N1	REAL300018087468	0	46	0.0	-100.17	396.45	9.69	-90.48
CC(CCC1=CC=CN=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087469	0	47	0.0	-95.93	398.73	9.98	-85.95
CC(C)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087470	0	48	0.0	-93.99	407.16	11.55	-82.44
CN1N=CN=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087471	1	38	0.0	-102.91	342.22	7.86	-95.05
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300018087472	1	41	0.0	-107.23	384.30	2.77	-104.46
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4(CCOCC4)CC3)=C2)=N1	REAL300018087473	0	53	0.0	-94.30	405.93	9.15	-85.15
COC1=CN=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1C	REAL300018087474	0	45	0.0	-99.60	385.47	7.78	-91.82
NC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087475	0	41	0.0	-96.61	371.87	8.22	-88.39
CCC1=CNC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087476	1	42	0.0	-95.90	369.71	7.69	-88.21
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CCC3=CC=C(F)C=C3Cl)=C2)=N1	REAL300018087477	0	42	0.0	-96.03	388.60	10.89	-85.14
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CN=CC=C4O3)=C2)=N1	REAL300018087478	0	41	0.0	-102.04	369.54	8.42	-93.62
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)=C2)=N1	REAL300018087479	0	39	0.0	-100.51	377.80	9.93	-90.58
CC1=C2C=C(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)NC2=CC=C1	REAL300018087480	0	46	0.0	-100.41	399.77	10.21	-90.20
CCOC1CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087481	0	49	0.0	-89.02	398.06	9.13	-79.89
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)=C2)=N1	REAL300018087482	0	39	0.0	-101.41	377.54	9.77	-91.64
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C)=C1	REAL300018087483	0	52	0.0	-96.57	434.60	11.28	-85.29
CC1=C(C)NC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087484	1	42	0.0	-95.78	368.03	7.48	-88.30
CC1=CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087485	0	43	0.0	-89.86	358.67	9.58	-80.28
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4(CCCC4)CC3)=C2)=N1	REAL300018087486	0	52	0.0	-90.46	403.75	11.18	-79.28
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)=C2)=N1	REAL300018087487	0	41	0.0	-104.58	374.95	8.74	-95.84
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4=CC=CC=C4CC3)=C2)=N1	REAL300018087488	0	49	0.0	-93.64	398.03	11.62	-82.02
CCC1(C)CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087489	0	51	0.0	-90.20	394.03	10.38	-79.82
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCCC4=CC=CC=C4C3)=C2)=N1	REAL300018087490	0	49	0.0	-93.17	398.22	11.64	-81.53
CN1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C(F)F)=N1	REAL300018087491	0	42	0.0	-92.48	379.05	8.30	-84.18
CC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CCCCCC1	REAL300018087492	0	51	0.0	-89.01	391.10	10.87	-78.14
CCC1(CC)CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087493	0	54	0.0	-90.46	408.59	10.89	-79.57
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCOC4)=C2)=N1	REAL300018087494	0	47	0.0	-97.48	393.76	9.59	-87.89
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)=C2)=N1	REAL300018087495	0	46	0.0	-98.13	402.52	11.82	-86.31
CC(CC1=COC2=CC=CC=C12)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087496	0	48	0.0	-87.76	408.26	11.31	-76.45
CC1CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087497	0	39	0.0	-88.04	334.74	8.57	-79.47
CCCN1N=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087498	0	45	0.0	-100.81	386.15	8.92	-91.89
CC1=CC=C2C=C(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)NC2=C1	REAL300018087499	0	46	0.0	-99.87	400.19	10.22	-89.65
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4CCCN4N=C3)=C2)=N1	REAL300018087500	0	43	0.0	-97.37	373.41	8.23	-89.14
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN4CCCC4=C3)=C2)=N1	REAL300018087501	1	43	0.0	-92.02	373.47	8.14	-83.88
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087503	0	47	0.0	-108.31	406.15	11.28	-97.03
CC(C)C1CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087504	0	48	0.0	-89.73	388.60	10.40	-79.33
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CN=C4O3)=C2)=N1	REAL300018087505	0	41	0.0	-101.87	369.58	7.10	-94.77
CC1CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087506	0	48	0.0	-89.59	377.36	10.01	-79.58
CCC1CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087507	0	51	0.0	-89.84	395.88	10.65	-79.19
CC1(C)CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087508	0	51	0.0	-89.88	385.29	10.21	-79.67
CC(C)(C)C1CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087509	0	57	0.0	-89.84	427.48	11.52	-78.32
CC1CC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CCN1C	REAL300018087510	1	47	0.0	-90.30	378.95	7.07	-83.23
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)=C2)=N1	REAL300018087511	0	42	0.0	-101.09	381.23	10.22	-90.87
CC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C1CCCO1	REAL300018087512	0	43	0.0	-86.03	356.50	7.43	-78.60
COCC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087513	0	46	0.0	-96.02	402.00	9.35	-86.67
CC1(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC1	REAL300018087515	0	39	0.0	-89.26	335.36	8.98	-80.28
CC1=CC=C(CC[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087516	0	45	0.0	-93.78	389.85	11.09	-82.69
CCCCC(C)C(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087517	0	50	0.0	-86.93	400.36	10.66	-76.27
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1OC	REAL300018087518	0	50	0.0	-100.71	420.44	9.45	-91.26
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C3CC3)=C2)=N1	REAL300018087519	0	46	0.0	-93.67	389.96	11.63	-82.04
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CCC3=CC=C(F)C=C3F)=C2)=N1	REAL300018087520	0	42	0.0	-96.66	380.31	10.50	-86.16
CC1=CC(CC[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC(C)=C1	REAL300018087521	0	48	0.0	-94.02	411.26	11.73	-82.29
CC(CCC1=CSC=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087522	0	45	0.0	-92.72	393.88	10.70	-82.02
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)=C2)=N1	REAL300018087523	0	43	0.0	-96.52	393.41	8.50	-88.02
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)=C2)=N1	REAL300018087524	0	45	0.0	-103.39	403.12	7.87	-95.52
CC(CC1=CN(C)N=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087525	0	45	0.0	-90.66	385.03	8.70	-81.96
CN1N=CC2=CC(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=CN=C21	REAL300018087526	0	44	0.0	-108.42	391.24	8.76	-99.66
COCC(CC1CCOCC1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087527	0	53	0.0	-90.98	425.20	7.84	-83.14
CN1C=C(CCC[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087528	0	45	0.0	-98.33	392.75	8.97	-89.36
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC(C3=NC(C(=O)[O-])=CS3)=C1)=N2	REAL300018087529	1	48	0.0	-91.90	416.27	9.98	-81.92
CCC1=CN=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)S1	REAL300018087530	1	41	0.0	-92.62	375.12	8.35	-84.27
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(F)N=C3)=C2)=N1	REAL300018087531	0	38	0.0	-106.68	348.19	7.78	-98.90
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4COCCC4C3)=C2)=N1	REAL300018087532	0	50	0.0	-93.09	398.58	8.97	-84.12
CC1(C)CC2(CC([NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)C2)CO1	REAL300018087533	0	50	0.0	-94.56	410.74	9.19	-85.37
CC1CC2(CC([NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)C2)CO1	REAL300018087534	0	47	0.0	-93.99	390.63	8.52	-85.47
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCOC4=CC=CC=C4C3)=C2)=N1	REAL300018087535	0	47	0.0	-94.51	391.55	9.87	-84.64
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCCC4=C(C=CS4)C3)=C2)=N1	REAL300018087536	0	46	0.0	-93.73	390.78	10.82	-82.91
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=C21	REAL300018087537	0	45	0.0	-104.26	385.34	10.89	-93.37
COC1=CC=C(C)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087538	0	46	0.0	-94.33	391.25	9.55	-84.78
CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087541	0	45	0.0	-93.00	380.36	10.91	-82.09
CC1=CC(F)=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087542	0	42	0.0	-98.57	374.75	10.36	-88.21
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C)=C1C	REAL300018087543	0	48	0.0	-93.02	396.49	11.36	-81.66
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087544	0	51	0.0	-88.39	401.26	11.98	-76.41
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C4CCCCCN34)=C2)=N1	REAL300018087545	0	49	0.0	-100.79	403.01	10.02	-90.77
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CON=C3C3CC3)=C2)=N1	REAL300018087546	0	42	0.0	-102.82	375.03	9.23	-93.59
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)=C2)=N1	REAL300018087547	0	45	0.0	-105.15	401.90	10.79	-94.36
CCN1CCC2=CC(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=CC=C21	REAL300018087548	0	51	0.0	-96.00	419.38	9.76	-86.24
CC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC=C1C1CC1	REAL300018087549	0	49	0.0	-94.38	413.96	12.24	-82.14
CCOC1=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC=N1	REAL300018087550	0	45	0.0	-101.59	395.88	7.26	-94.33
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1C1CC1	REAL300018087551	0	49	0.0	-94.66	413.37	12.25	-82.41
CC(C)CC1CCCC1[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087552	0	51	0.0	-89.50	407.89	11.07	-78.43
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC(C4CCC4)C3)=C2)=N1	REAL300018087553	0	46	0.0	-89.56	383.60	10.64	-78.92
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)=C2)=N1	REAL300018087554	1	49	0.0	-100.06	419.21	6.09	-93.97
CC1OC2=CC=C(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)C=C2C1C	REAL300018087556	0	50	0.0	-99.47	420.32	10.73	-88.74
CC(C)C1=CC=C(O)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087557	0	49	0.0	-93.83	414.83	8.93	-84.90
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)NN=C1C(F)(F)F	REAL300018087558	0	42	0.0	-108.87	384.65	7.57	-101.30
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4(CCC4)CC3)=C2)=N1	REAL300018087559	0	49	0.0	-90.25	389.66	10.66	-79.59
CC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1O	REAL300018087560	0	43	0.0	-96.91	378.03	7.53	-89.38
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC(C4CC4)=CS3)=C2)=N1	REAL300018087561	1	42	0.0	-93.81	382.57	8.84	-84.97
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN(CC4CC4)N=N3)=C2)=N1	REAL300018087562	1	45	0.0	-98.28	396.47	8.52	-89.76
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4CCOC4=C3)=C2)=N1	REAL300018087563	0	44	0.0	-97.47	382.79	9.47	-88.00
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC4=C(CCCC4)N3)=C2)=N1	REAL300018087564	1	46	0.0	-95.71	389.89	8.70	-87.01
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4COCCC4=C3)=C2)=N1	REAL300018087565	0	47	0.0	-97.28	400.65	9.71	-87.57
CC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087566	0	42	0.0	-90.06	369.25	10.16	-79.90
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C3CCC3)=C2)=N1	REAL300018087567	0	49	0.0	-94.30	406.31	12.10	-82.20
CSC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087568	0	43	0.0	-95.96	387.15	10.64	-85.32
CC(C)(C)N1N=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087569	0	48	0.0	-98.55	394.04	9.28	-89.27
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)=C2)=N1	REAL300018087570	0	46	0.0	-98.27	400.96	11.69	-86.58
CC1(C)C2CC([NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)CC21	REAL300018087571	0	46	0.0	-90.21	372.21	10.17	-80.04
CC(C)C1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N(C)N=C1	REAL300018087572	0	48	0.0	-102.47	409.10	9.11	-93.36
CCC([NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1)C(C)CC1=CC=CC=C1	REAL300018087573	0	54	0.0	-89.56	432.11	12.73	-76.83
CCN1C=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087574	1	42	0.0	-91.87	371.34	8.20	-83.67
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(CC4CC4)S3)=C2)=N1	REAL300018087575	0	46	0.0	-92.38	412.13	11.87	-80.51
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)=C2)=N1	REAL300018087576	0	47	0.0	-97.88	407.48	10.60	-87.28
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)OC2=CC=C(F)C=C12	REAL300018087578	0	45	0.0	-101.07	401.64	10.85	-90.22
CCCN1C=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087579	1	45	0.0	-90.94	392.84	8.96	-81.98
CC(C)N1C=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087580	1	45	0.0	-91.46	390.03	8.73	-82.73
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087581	0	50	0.0	-98.71	418.33	10.12	-88.59
CCC(CC)C(C)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087582	0	47	0.0	-87.66	372.55	9.62	-78.04
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)=C2)=N1	REAL300018087583	1	42	0.0	-96.28	389.21	8.70	-87.58
CN1C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=NC2=C1CCCC2	REAL300018087584	1	49	0.0	-96.00	409.65	10.30	-85.70
CN1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C(F)(F)F)=N1	REAL300018087585	0	42	0.0	-98.29	383.71	8.41	-89.88
CC1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087586	0	41	0.0	-91.52	363.50	8.42	-83.10
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4C=N3)=C2)=N1	REAL300018087587	0	44	0.0	-93.30	388.09	10.05	-83.25
COC1=NC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=CC=C1C	REAL300018087588	0	45	0.0	-95.99	394.23	7.02	-88.97
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)=C2)=N1	REAL300018087589	0	42	0.0	-94.97	385.52	10.56	-84.41
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3COCC4)=C2)=N1	REAL300018087590	0	47	0.0	-96.78	393.66	9.62	-87.16
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=C(CCCC4)O3)=C2)=N1	REAL300018087591	0	46	0.0	-93.69	391.22	10.46	-83.23
CCC(C)N1N=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087592	0	48	0.0	-102.36	408.25	9.41	-92.95
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)=C2)=N1	REAL300018087593	0	52	0.0	-97.12	431.59	10.68	-86.44
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4CCCCC4C3)=C2)=N1	REAL300018087594	0	49	0.0	-90.17	390.47	10.82	-79.35
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087595	0	45	0.0	-100.71	389.21	6.95	-93.76
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NC4=CC=CC=C4S3)=C2)=N1	REAL300018087596	0	41	0.0	-94.88	378.60	9.08	-85.80
COC1=CC=CC(C2CC([NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)C2)=C1	REAL300018087597	0	50	0.0	-96.36	420.22	10.71	-85.65
CC1=NOC(C2CC([NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)C2)=N1	REAL300018087598	0	44	0.0	-102.06	385.99	7.13	-94.93
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC(C4CCOCC4)C3)=C2)=N1	REAL300018087599	0	50	0.0	-92.88	408.22	9.37	-83.51
CCCN1C=NC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087600	0	45	0.0	-97.86	385.21	10.52	-87.34
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)=C2)=N1	REAL300018087601	0	46	0.0	-102.45	404.04	9.58	-92.87
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)=C2)=N1	REAL300018087602	0	52	0.0	-93.31	438.05	13.14	-80.17
COC1=CC=C(CC(C)[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C)=C1	REAL300018087603	0	52	0.0	-89.70	427.25	10.68	-79.02
CCC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=NN1CC	REAL300018087604	0	48	0.0	-94.49	406.30	9.54	-84.95
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C(F)(F)F)=CO1	REAL300018087605	0	42	0.0	-91.49	386.28	9.41	-82.08
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087606	0	45	0.0	-98.97	400.14	11.15	-87.82
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087607	0	46	0.0	-96.19	407.44	7.33	-88.86
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4CCCCCC4C3)=C2)=N1	REAL300018087608	0	52	0.0	-90.21	398.76	11.18	-79.03
CC1CCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)CC2=CC=CC=C21	REAL300018087609	0	52	0.0	-93.50	414.71	12.09	-81.41
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087610	0	46	0.0	-94.10	394.06	11.49	-82.61
COCC1=CC=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087611	0	46	0.0	-97.20	393.37	9.47	-87.73
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4CCOCC4=C3)=C2)=N1	REAL300018087612	0	47	0.0	-97.34	400.64	9.71	-87.63
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)=C2)=N1	REAL300018087613	0	45	0.0	-108.35	401.55	7.80	-100.55
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC=CC3=CC=NC=C3)=C2)=N1	REAL300018087614	0	42	0.0	-100.81	372.99	9.17	-91.64
CCN1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C2CC2)=N1	REAL300018087615	0	49	0.0	-99.18	423.28	10.48	-88.70
CCC1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)N=C1	REAL300018087616	0	44	0.0	-92.38	384.83	9.21	-83.17
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087617	0	47	0.0	-103.91	394.53	9.40	-94.51
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)=C2)=N1	REAL300018087618	0	44	0.0	-103.80	387.93	10.11	-93.69
CC1=CC2=CC=CC(C[NH2+]CC3=CC=CC(C4=NC(C(=O)[O-])=CS4)=C3)=C2O1	REAL300018087619	0	45	0.0	-93.37	396.16	10.77	-82.60
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CON=C3C3CCC3)=C2)=N1	REAL300018087620	0	45	0.0	-103.32	391.64	9.70	-93.62
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1	REAL300018087621	0	52	0.0	-103.73	435.03	10.71	-93.02
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=NN3CC(F)F)=C2)=N1	REAL300018087622	0	42	0.0	-99.59	380.82	8.32	-91.27
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN(C4CCC4)C=C3)=C2)=N1	REAL300018087624	1	46	0.0	-90.75	395.16	9.31	-81.44
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN(CC(F)F)C=C3)=C2)=N1	REAL300018087625	1	42	0.0	-94.30	383.19	8.53	-85.77
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)=C2)=N1	REAL300018087626	1	43	0.0	-95.83	392.85	9.07	-86.76
CC1=CN(C)C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=N1	REAL300018087627	1	42	0.0	-97.75	368.51	8.59	-89.16
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4CCCC(C4)C3)=C2)=N1	REAL300018087628	0	49	0.0	-90.14	380.71	10.40	-79.74
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)=C2)=N1	REAL300018087629	1	49	0.0	-90.54	412.72	9.98	-80.56
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4OC=CC4=C(F)C=C3)=C2)=N1	REAL300018087630	0	42	0.0	-100.31	380.70	10.02	-90.29
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=C4OC=CC4=CC(Cl)=C3)=C2)=N1	REAL300018087631	0	42	0.0	-95.66	391.00	10.46	-85.20
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC=CC3=CC=CC=C3)=C2)=N1	REAL300018087632	0	43	0.0	-95.28	377.98	10.93	-84.35
CN1N=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1C1=CC=CO1	REAL300018087633	1	46	0.0	-96.11	408.56	8.95	-87.16
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087634	0	49	0.0	-98.16	414.67	10.00	-88.16
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087635	0	47	0.0	-94.76	406.35	10.28	-84.48
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087636	0	46	0.0	-107.34	410.24	8.88	-98.46
CC(C)(C)N1CCCC([NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087637	0	53	0.0	-88.94	410.03	8.12	-80.82
CC(C)(C)[N@@H+]1CCCC(NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087637	1	53	0.0	-77.58	410.20	9.04	-68.54
CC(C)(C)[N@H+]1CCCC(NCC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C1	REAL300018087637	1	53	0.0	-75.12	407.56	9.65	-65.47
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087638	0	50	0.0	-83.39	424.65	9.00	-74.39
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(CF)C=C3)=C2)=N1	REAL300018087639	0	42	0.0	-97.01	374.92	10.44	-86.57
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C4SC=CC4=C3)=C2)=N1	REAL300018087640	0	42	0.0	-100.35	383.86	11.00	-89.35
CC(CC1=CN(C)N=C1)[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087641	0	45	0.0	-90.66	385.03	8.70	-81.96
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CC4CC=CCC4C3)=C2)=N1	REAL300018087642	0	47	0.0	-92.41	383.16	10.78	-81.63
C=CCN1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=N1	REAL300018087643	0	43	0.0	-97.95	384.08	8.85	-89.10
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC4=NNC=C4C=C3)=C2)=N1	REAL300018087644	0	42	0.0	-99.06	373.18	8.34	-90.72
CCC(C)C1=CC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018087645	0	51	0.0	-93.51	425.60	12.22	-81.29
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC4(C3)CCOCC4)=C2)=N1	REAL300018087646	0	50	0.0	-93.45	397.00	8.86	-84.59
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCCC4)=C2)=N1	REAL300018087647	0	49	0.0	-95.27	402.28	11.99	-83.28
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)=C2)=N1	REAL300018087648	0	45	0.0	-110.98	399.30	9.54	-101.44
CC1=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C=CC2=CC=CC=C21	REAL300018087649	0	48	0.0	-96.93	403.91	12.38	-84.55
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087650	0	47	0.0	-92.17	407.88	9.04	-83.13
CCCN1N=CC(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)=C1C	REAL300018087651	0	48	0.0	-97.17	411.61	9.48	-87.69
O=C([O-])C1=CSC(C2=CC=CC(C[NH2+]C3CCC3CC3=CC=CC=C3)=C2)=N1	REAL300018087652	0	49	0.0	-93.06	411.99	12.57	-80.49
CCCN1N=C(C)C=C1C[NH2+]CC1=CC=CC(C2=NC(C(=O)[O-])=CS2)=C1	REAL300018087653	0	48	0.0	-101.16	408.08	9.49	-91.67
CN1C=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)C(C2CCC2)=N1	REAL300018087654	0	49	0.0	-99.61	418.13	10.05	-89.56
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(C3=NC(C(=O)[O-])=CS3)=C2)O1	REAL300018087655	1	47	0.0	-97.33	406.13	7.12	-90.21
CSC1=CC=CC=C1CC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087656	0	50	0.0	-75.09	406.18	12.63	-62.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)=C2)C=C1	REAL300018087657	0	45	0.0	-80.01	393.17	10.42	-69.59
CC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)CC1=CC=CC=C1	REAL300018087658	0	49	0.0	-83.43	397.45	12.12	-71.31
CC1(C)CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087659	0	46	0.0	-78.00	363.43	10.06	-67.94
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2CCCCC2)=N1	REAL300018087660	0	56	0.0	-86.58	447.51	11.61	-74.97
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(CC4=CC=CN=C4)N=N3)=C2)C=C1	REAL300018087661	1	48	0.0	-96.78	413.67	8.65	-88.13
CCC1CCCC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087662	0	52	0.0	-80.56	400.75	11.67	-68.89
COC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087663	0	47	0.0	-81.44	372.08	8.47	-72.97
CC1CCCCC1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087664	0	49	0.0	-80.52	378.72	10.88	-69.64
CC(C)C1=CN=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087665	1	45	0.0	-79.16	389.24	9.42	-69.74
CC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)C1	REAL300018087666	0	49	0.0	-78.68	371.25	10.95	-67.73
CC1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1C	REAL300018087667	0	49	0.0	-77.23	367.02	10.38	-66.85
CC1CC(C)(C)CCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087668	0	52	0.0	-77.49	388.01	11.10	-66.39
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC=CC3=CC=C(F)C=C3F)=C2)C=C1	REAL300018087669	0	44	0.0	-85.40	383.64	11.47	-73.93
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CC4CCC3C4)=C2)C=C1	REAL300018087670	0	47	0.0	-81.84	365.57	10.71	-71.13
CCN1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087671	1	48	0.0	-80.23	373.83	7.72	-72.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4=CC=CC=C4C3)=C2)C=C1	REAL300018087672	0	47	0.0	-83.56	378.02	11.61	-71.95
CCCCCC(CCCCC)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087673	0	60	0.0	-79.43	459.42	13.67	-65.76
COC1=CC=C2CCC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CC2=C1	REAL300018087674	0	51	0.0	-83.91	407.51	10.90	-73.01
CC1(C)CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087675	0	49	0.0	-79.14	373.54	10.34	-68.80
CCC(CC1=CC=CS1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087676	0	46	0.0	-82.26	384.27	11.13	-71.13
CCC(CC1=CC=C(C)C=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087677	0	52	0.0	-82.49	415.04	12.69	-69.80
CCCC(CCC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087678	0	55	0.0	-82.91	433.34	13.57	-69.34
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCOCC3)=C2)C=C1	REAL300018087679	0	44	0.0	-82.23	342.46	7.51	-74.72
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C(Br)C=CS3)=C2)C=C1	REAL300018087680	0	37	0.0	-76.33	350.36	9.70	-66.63
CC(C)CCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087681	0	48	0.0	-77.62	376.85	10.48	-67.14
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087682	0	52	0.0	-89.22	423.71	10.86	-78.36
CC(CCC1=CC=C(O)C=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087683	0	50	0.0	-85.84	408.66	9.34	-76.50
COC1=CC=C(CC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OC	REAL300018087684	0	54	0.0	-91.32	434.22	10.63	-80.69
COC1=CC=C(CCC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087685	0	53	0.0	-85.02	427.14	11.49	-73.53
CC(CCC1=CC=CO1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087686	0	46	0.0	-83.64	378.45	10.32	-73.32
CC(CC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087687	0	46	0.0	-88.69	381.89	11.49	-77.20
CC(CCN1C=CC=N1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087688	0	46	0.0	-82.13	378.63	9.40	-72.73
CC(CC1=CC=C(Cl)C=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087689	0	46	0.0	-87.10	392.21	11.94	-75.16
COCCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087690	0	43	0.0	-79.79	349.96	7.47	-72.32
CC(CN1C=CC=N1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087691	0	43	0.0	-85.08	359.21	8.80	-76.28
CC(CCC1=CC=C(F)C=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087692	0	49	0.0	-83.69	404.05	12.27	-71.42
CC(CC1CCOCC1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087693	0	50	0.0	-81.64	387.62	9.00	-72.64
CC(CCC1CCCCC1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087694	0	55	0.0	-78.21	418.42	12.37	-65.84
CC(CCC1=CC=CC=C1F)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087695	0	49	0.0	-81.59	403.21	12.24	-69.35
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC3CC3=CC=CC=C3)=C2)C=C1	REAL300018087696	0	53	0.0	-81.83	415.89	13.50	-68.33
CC1=CC=C(C2CCCC2[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087697	0	53	0.0	-78.31	420.30	13.04	-65.27
CC(CC1CCCC1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087698	0	49	0.0	-78.47	380.10	11.00	-67.47
CC(C)C1=CC=C(CC[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087699	0	52	0.0	-82.65	422.41	12.78	-69.87
CC(CC1CCOC1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087700	0	47	0.0	-81.99	370.05	8.42	-73.57
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC(C(F)(F)F)CC3)=C2)C=C1	REAL300018087701	0	46	0.0	-84.50	377.00	10.39	-74.11
CC1=CN2C=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)N=C2C=C1	REAL300018087702	0	46	0.0	-79.38	389.10	11.24	-68.14
CC(CCC(C)(C)C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087703	0	51	0.0	-78.02	393.02	10.87	-67.15
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4OC=CC4=C3)=C2)C=C1	REAL300018087705	0	43	0.0	-88.38	368.06	10.40	-77.98
C[NH+](C)CC1=CN=C(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087706	1	47	0.0	-81.48	401.48	7.97	-73.51
COCC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NO1	REAL300018087707	1	43	0.0	-81.45	371.32	7.28	-74.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3=CC=C(Cl)C=C3)=C2)C=C1	REAL300018087708	0	43	0.0	-86.23	378.92	11.37	-74.86
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N(C)N=C1	REAL300018087709	0	43	0.0	-89.20	361.60	8.25	-80.95
CC(C)N1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=N1	REAL300018087710	1	45	0.0	-81.57	377.80	7.95	-73.62
C[NH+](C)CC1=CC(CNCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NO1	REAL300018087711	1	47	0.0	-81.82	392.15	8.17	-73.65
CC1=CC=CC=C1N1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=N1	REAL300018087712	1	49	0.0	-92.28	414.72	10.79	-81.49
CN(C)C1=NC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087713	0	47	0.0	-79.65	391.09	9.11	-70.54
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=CC=N3)=C2)C=C1	REAL300018087714	0	38	0.0	-82.82	330.43	6.39	-76.43
CCOC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1SC	REAL300018087715	0	48	0.0	-83.50	405.96	9.52	-73.98
COCCOCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087716	0	54	0.0	-86.87	451.22	10.03	-76.84
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)=C2)C=C1	REAL300018087718	0	53	0.0	-82.25	424.85	13.28	-68.97
COC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087719	0	44	0.0	-81.09	375.27	9.50	-71.59
CC1(C2=CC=CC=C2)CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087720	0	50	0.0	-79.72	397.20	12.57	-67.15
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(CC(F)F)N=C3)=C2)C=C1	REAL300018087721	0	43	0.0	-93.14	376.93	9.07	-84.07
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087722	0	50	0.0	-76.30	415.27	10.97	-65.33
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4CCC4)C=C3)=C2)C=C1	REAL300018087723	0	50	0.0	-82.33	406.44	12.65	-69.68
CC1=NOC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087724	0	39	0.0	-89.88	336.61	8.10	-81.78
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=CS1	REAL300018087725	0	40	0.0	-82.62	347.89	9.79	-72.83
CS(=O)(=O)CC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087726	0	52	0.0	-93.74	418.51	7.75	-85.99
CC1=CN=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087727	1	39	0.0	-79.34	347.38	8.01	-71.33
COCC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087728	0	50	0.0	-82.42	393.41	9.18	-73.24
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4CCCC4=N3)=C2)C=C1	REAL300018087729	0	46	0.0	-78.41	381.21	10.11	-68.30
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087730	0	53	0.0	-83.50	429.81	13.89	-69.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NN3C3CCCC3)=C2)C=C1	REAL300018087731	0	50	0.0	-90.95	406.87	10.57	-80.38
CCN1N=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087732	1	42	0.0	-86.80	359.35	7.09	-79.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4CC4)C=C3)=C2)C=C1	REAL300018087733	0	47	0.0	-82.88	389.90	12.17	-70.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(C4CC4)CC3)=C2)C=C1	REAL300018087734	0	49	0.0	-78.66	381.27	8.31	-70.35
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=N1	REAL300018087735	0	41	0.0	-82.38	352.25	7.78	-74.60
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1C(F)(F)F	REAL300018087736	0	46	0.0	-89.98	395.10	11.58	-78.40
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)=C2)C=C1	REAL300018087737	0	46	0.0	-92.11	390.98	9.69	-82.42
CCC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1O	REAL300018087738	0	47	0.0	-79.48	392.03	8.79	-70.69
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087739	0	53	0.0	-76.18	433.68	11.94	-64.24
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4OCCOC4=C3)=C2)C=C1	REAL300018087740	0	46	0.0	-86.75	385.18	9.23	-77.52
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(Br)=C3)=C2)C=C1	REAL300018087741	0	40	0.0	-83.83	361.97	10.68	-73.15
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OC	REAL300018087742	0	48	0.0	-89.60	399.43	9.26	-80.34
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C(F)(F)F)=C2)C=C1	REAL300018087743	0	43	0.0	-82.11	369.21	11.15	-70.96
CCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OC	REAL300018087744	0	51	0.0	-89.45	421.28	10.18	-79.27
CC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087745	0	43	0.0	-81.54	355.51	10.69	-70.85
CCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087746	0	46	0.0	-82.34	383.56	11.51	-70.83
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)=C2)C=C1	REAL300018087747	0	47	0.0	-88.68	407.33	12.02	-76.66
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1C	REAL300018087748	0	46	0.0	-82.26	379.09	11.27	-70.99
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Br)=CS3)=C2)C=C1	REAL300018087749	0	37	0.0	-84.03	352.43	9.80	-74.23
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087750	0	40	0.0	-83.86	343.55	7.87	-75.99
CC1=NN(C)C(Cl)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087751	0	43	0.0	-81.28	378.83	8.70	-72.58
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)=C2)C=C1	REAL300018087752	0	47	0.0	-89.48	399.04	11.27	-78.21
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018087753	0	47	0.0	-82.35	392.03	10.29	-72.06
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OCO4)=C2)C=C1	REAL300018087754	0	43	0.0	-80.28	366.69	8.72	-71.56
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCCCCC3)=C2)C=C1	REAL300018087755	0	49	0.0	-78.04	361.30	10.29	-67.75
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CC=CCC3)=C2)C=C1	REAL300018087757	0	44	0.0	-82.33	354.04	10.32	-72.01
CCC(CC)C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087758	0	45	0.0	-79.23	356.30	9.79	-69.44
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCCCC3)=C2)C=C1	REAL300018087759	0	46	0.0	-80.96	361.68	10.41	-70.55
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087760	0	49	0.0	-82.43	411.64	9.08	-73.35
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)C(Cl)=C3)=C2)C=C1	REAL300018087761	0	40	0.0	-92.80	363.27	10.63	-82.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)=C2)C=C1	REAL300018087762	0	43	0.0	-96.51	385.00	11.12	-85.39
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC=C3Cl)=C2)C=C1	REAL300018087763	0	40	0.0	-82.83	370.16	11.02	-71.81
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)C=C3C(F)(F)F)=C2)C=C1	REAL300018087764	0	43	0.0	-85.87	375.68	11.21	-74.66
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)=C2)C=C1	REAL300018087765	0	43	0.0	-92.11	385.87	11.13	-80.98
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC=C3F)=C2)C=C1	REAL300018087766	0	40	0.0	-84.14	363.03	10.61	-73.53
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(F)=CC(F)=C3)=C2)C=C1	REAL300018087767	0	40	0.0	-90.05	353.50	10.20	-79.85
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)=C2)C=C1	REAL300018087768	0	49	0.0	-81.95	412.34	11.95	-70.00
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087769	0	55	0.0	-87.17	434.67	10.61	-76.56
CC1=NN(C)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087770	0	43	0.0	-85.11	363.15	8.46	-76.65
CCC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300018087771	0	49	0.0	-83.94	396.22	12.01	-71.93
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC=CC3=CC=C(F)C=C3)=C2)C=C1	REAL300018087772	0	44	0.0	-87.40	378.19	11.44	-75.96
CCN1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087773	0	43	0.0	-87.10	358.39	8.59	-78.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=CC=C3C(F)(F)F)=C2)C=C1	REAL300018087774	0	42	0.0	-74.86	364.65	9.14	-65.72
COC1=CC=C2OC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC2=C1	REAL300018087775	0	47	0.0	-89.52	398.03	9.87	-79.65
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C2=CC=CC=C2O1	REAL300018087776	0	46	0.0	-87.43	388.96	11.20	-76.23
CN1C=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018087777	0	41	0.0	-80.29	348.09	9.73	-70.56
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=COC4=CC=CC=C34)=C2)C=C1	REAL300018087778	0	43	0.0	-86.87	368.65	10.45	-76.42
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C4C=NC=CN34)=C2)C=C1	REAL300018087779	0	42	0.0	-94.66	362.39	8.75	-85.91
CC1=CN2C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CN=C2C=C1	REAL300018087780	0	46	0.0	-92.00	388.96	11.16	-80.84
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C4C=CSC4=C3)=C2)C=C1	REAL300018087781	0	42	0.0	-90.98	372.55	9.55	-81.43
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087782	0	46	0.0	-94.22	403.88	10.92	-83.30
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087783	0	46	0.0	-85.60	390.63	11.64	-73.96
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CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087785	0	45	0.0	-87.02	395.09	9.25	-77.77
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087786	0	46	0.0	-86.13	404.80	10.95	-75.18
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C(C)O1	REAL300018087787	0	43	0.0	-83.56	362.51	9.68	-73.88
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCOC4=CC=CC=C43)=C2)C=C1	REAL300018087788	0	48	0.0	-86.64	387.70	10.50	-76.14
CC1CCC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087789	0	49	0.0	-81.41	375.49	10.80	-70.61
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)=N2	REAL300018087790	0	52	0.0	-79.31	424.90	10.72	-68.59
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCCO4)S3)=C2)C=C1	REAL300018087791	0	47	0.0	-86.93	404.74	8.28	-78.65
CCCC(CCC)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087792	0	48	0.0	-77.16	377.14	10.54	-66.62
CC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1C	REAL300018087793	0	49	0.0	-78.17	367.17	10.19	-67.98
CC1=CC(Cl)=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087794	0	43	0.0	-85.73	372.29	11.21	-74.52
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=CC(Br)=C3)=C2)C=C1	REAL300018087795	0	39	0.0	-88.98	356.90	8.89	-80.09
CC(CCC1CC1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087796	0	46	0.0	-77.95	369.34	10.74	-67.21
CCN1N=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C2=CC=CC=C21	REAL300018087797	0	49	0.0	-87.20	412.43	10.85	-76.35
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=C(Cl)S3)=C2)C=C1	REAL300018087798	1	36	0.0	-82.52	342.52	7.83	-74.69
CCSC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018087799	0	47	0.0	-82.15	402.36	11.92	-70.23
CC(C)(C)CC[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087800	0	45	0.0	-79.76	357.56	9.49	-70.27
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCSCC3=CC=CC=C3)=C2)C=C1	REAL300018087801	0	47	0.0	-82.75	406.94	12.19	-70.56
CCCC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018087802	0	49	0.0	-82.45	405.06	12.28	-70.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCCC3=CC=C4OCCC4=C3)=C2)C=C1	REAL300018087803	0	51	0.0	-86.37	419.64	11.49	-74.88
CC1=CCCC(C)C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087804	0	50	0.0	-78.81	384.63	11.43	-67.38
CCC(COC)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087805	0	43	0.0	-73.49	348.08	7.62	-65.87
CCCCC(COC)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087806	0	49	0.0	-79.13	390.75	9.18	-69.95
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(F)=CC(Cl)=C3)=C2)C=C1	REAL300018087807	0	40	0.0	-89.15	363.88	10.65	-78.50
CC(C)OC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087808	0	47	0.0	-77.27	383.13	9.04	-68.23
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC(CC4=CC=CC=C4)C3)=C2)C=C1	REAL300018087809	0	53	0.0	-82.86	422.74	13.25	-69.61
CC1(C2=CC=CC=C2)CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087810	0	53	0.0	-82.28	416.40	12.76	-69.52
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087811	0	43	0.0	-90.03	367.72	6.76	-83.27
CN1N=CC(Cl)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087812	1	40	0.0	-83.72	358.38	8.15	-75.57
CC(CC1=CC=CC=C1F)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087813	0	46	0.0	-81.71	382.06	11.42	-70.29
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCC=CO3)=C2)C=C1	REAL300018087814	0	42	0.0	-82.96	346.96	8.52	-74.44
CC(CC[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300018087815	0	49	0.0	-83.77	398.02	11.98	-71.79
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCCC3=C(F)C=CC=C3Cl)=C2)C=C1	REAL300018087816	0	46	0.0	-80.74	403.05	12.08	-68.66
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3CCCCC3)=C2)C=C1	REAL300018087817	0	49	0.0	-80.77	382.97	11.01	-69.76
CC1=NC2=CC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C=C2C=C1	REAL300018087818	0	48	0.0	-89.80	403.38	11.04	-78.76
CC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC(Cl)=C1	REAL300018087819	0	46	0.0	-86.45	393.42	11.89	-74.56
CC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=C(F)C=C1	REAL300018087820	0	46	0.0	-86.97	383.09	11.44	-75.53
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3CCOC3)=C2)C=C1	REAL300018087821	0	44	0.0	-84.76	356.22	7.84	-76.92
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C=C3F)=C2)C=C1	REAL300018087822	0	40	0.0	-81.03	362.98	10.62	-70.41
CC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300018087823	0	46	0.0	-82.89	376.69	11.38	-71.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(Br)O3)=C2)C=C1	REAL300018087824	0	37	0.0	-83.25	343.19	8.94	-74.31
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087825	0	46	0.0	-88.65	394.31	11.69	-76.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(CCCO4)CC3)=C2)C=C1	REAL300018087826	0	51	0.0	-76.78	393.21	9.66	-67.12
COC1=CC=C2N=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)SC2=C1	REAL300018087827	0	46	0.0	-86.91	402.39	8.88	-78.03
CCC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087828	0	46	0.0	-74.65	390.27	11.73	-62.92
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCCC1	REAL300018087829	0	49	0.0	-77.46	371.53	10.71	-66.75
COC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087830	0	43	0.0	-87.04	367.84	6.73	-80.31
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=N1	REAL300018087831	1	48	0.0	-81.25	397.51	8.52	-72.73
CCN(C)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087832	0	50	0.0	-86.61	411.13	10.85	-75.76
COCCN(C)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087833	0	54	0.0	-86.51	442.50	10.04	-76.47
CC(C)N(C)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087834	0	53	0.0	-86.61	427.41	11.34	-75.27
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(OCC4CC4)C=C3)=C2)C=C1	REAL300018087835	0	51	0.0	-84.86	423.71	11.87	-72.99
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=CN3C3=CC=CC=C3)=C2)C=C1	REAL300018087836	1	47	0.0	-78.11	398.20	11.74	-66.37
CC(C)=CCCC(C)CC[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087837	0	55	0.0	-80.68	433.33	12.54	-68.14
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C(C4=CC=CC=C4)C=NN3)=C2)C=C1	REAL300018087838	0	47	0.0	-89.95	398.81	9.99	-79.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NNC=C3C3=CC=CC=C3)=C2)C=C1	REAL300018087838	1	47	0.0	-81.18	399.14	10.02	-71.16
C#CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087839	0	42	0.0	-87.36	367.94	11.26	-76.10
CC(C)C1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CS1	REAL300018087840	0	47	0.0	-87.99	376.47	10.46	-77.53
COC1=CC=C(CCC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1O	REAL300018087841	0	54	0.0	-84.18	437.96	9.34	-74.84
CC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087842	0	46	0.0	-79.18	360.46	10.08	-69.10
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCCCC3)=C2)C=C1	REAL300018087843	0	46	0.0	-78.89	351.49	9.92	-68.97
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=N1	REAL300018087844	0	42	0.0	-75.75	351.68	9.04	-66.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC4=CC=CC=C4)CC3)=C2)C=C1	REAL300018087845	0	55	0.0	-78.52	432.73	10.65	-67.87
CC(C)(C)C1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087846	0	55	0.0	-78.20	408.36	11.45	-66.75
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCCC3C3CCCCC3)=C2)C=C1	REAL300018087847	0	59	0.0	-79.43	427.09	13.30	-66.13
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC(C4=CC=CC=C4)CC3)=C2)C=C1	REAL300018087848	0	53	0.0	-85.51	410.42	13.15	-72.36
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCSC3)=C2)C=C1	REAL300018087849	0	38	0.0	-80.88	322.14	8.62	-72.26
CCCC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087850	0	52	0.0	-79.31	400.19	11.48	-67.83
CC1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087851	0	46	0.0	-79.23	360.41	10.07	-69.16
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCSCC3)=C2)C=C1	REAL300018087852	0	41	0.0	-81.86	339.13	9.15	-72.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCCC3C3=CC=CC=C3)=C2)C=C1	REAL300018087853	0	53	0.0	-75.49	414.85	12.88	-62.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CCC3C4)=C2)C=C1	REAL300018087854	0	44	0.0	-77.05	343.55	9.92	-67.13
CCCCCCC1CCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087855	0	58	0.0	-77.90	449.13	13.34	-64.56
CC1OCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087856	0	41	0.0	-77.59	329.64	7.42	-70.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCN(CC4=CC=CC=C4)C3)=C2)C=C1	REAL300018087857	0	55	0.0	-81.37	429.16	10.26	-71.11
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(C4=CC=CC=C4)CC3)=C2)C=C1	REAL300018087858	0	52	0.0	-84.09	408.11	10.40	-73.69
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCSC3)=C2)C=C1	REAL300018087859	0	41	0.0	-80.13	339.59	9.21	-70.92
CC1(C)CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087860	0	49	0.0	-78.35	373.54	10.35	-68.00
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC(C4CC4)C3)=C2)C=C1	REAL300018087861	0	50	0.0	-80.13	390.26	11.51	-68.62
CC1(C2=CC=CC=C2)CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087862	0	56	0.0	-87.31	419.31	13.25	-74.06
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CC3C3CCCC43)=C2)C=C1	REAL300018087865	0	51	0.0	-80.70	376.63	11.33	-69.37
CC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCO1	REAL300018087866	0	44	0.0	-79.69	351.89	7.84	-71.85
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(C(F)F)C=C3)=C2)C=C1	REAL300018087867	1	40	0.0	-88.27	356.15	7.92	-80.35
CC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087868	0	43	0.0	-83.48	361.97	10.77	-72.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(F)=CC=C3O)=C2)C=C1	REAL300018087869	0	41	0.0	-84.41	356.80	7.35	-77.06
CCC1=NOC(C2CCC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CC2)=N1	REAL300018087870	0	54	0.0	-88.58	433.42	9.25	-79.33
CC(C)C1CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCO1	REAL300018087871	0	53	0.0	-84.88	411.80	10.13	-74.75
CCC1CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCO1	REAL300018087872	0	50	0.0	-84.73	394.79	9.60	-75.13
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1Cl	REAL300018087873	0	43	0.0	-86.53	376.20	11.16	-75.37
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(OC4=CC=CC=C4)O3)=C2)C=C1	REAL300018087874	0	48	0.0	-88.90	407.44	11.83	-77.07
CC(C)[NH+]1CCC(NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087875	1	51	0.0	-72.81	391.60	9.30	-63.51
CC(C)N1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087875	1	51	0.0	-80.07	387.50	8.05	-72.02
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC(F)(F)F)CC3)=C2)C=C1	REAL300018087876	0	48	0.0	-84.48	391.56	8.27	-76.21
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(C4=CC=CC=N4)CC3)=C2)C=C1	REAL300018087877	0	51	0.0	-84.04	405.78	9.81	-74.23
O=C([O-])C1=NN(C2=CC=CC(CNC3CC[NH+](C4CCCCC4)CC3)=C2)C=C1	REAL300018087878	1	58	0.0	-80.07	433.16	11.15	-68.92
CC1CCCC([NH+]2CCC(NCC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CC2)C1	REAL300018087879	1	61	0.0	-80.39	446.95	11.53	-68.86
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CCC(F)(F)F)CC3)=C2)C=C1	REAL300018087880	0	51	0.0	-82.68	413.46	8.87	-73.81
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(SC(F)F)C=C3)=C2)C=C1	REAL300018087881	0	44	0.0	-88.04	390.50	11.33	-76.71
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)=N1	REAL300018087882	0	49	0.0	-89.12	401.53	7.82	-81.30
CC(CCC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087883	0	49	0.0	-80.14	397.69	12.20	-67.94
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(C4=CC=CC=C4)C3)=C2)C=C1	REAL300018087884	0	47	0.0	-83.83	383.55	11.87	-71.96
CC1=CC=C(C2CC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C2)C=C1	REAL300018087885	0	50	0.0	-83.78	404.88	12.53	-71.25
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(C4=CC=CC(F)=C4)C3)=C2)C=C1	REAL300018087886	0	47	0.0	-87.00	390.94	11.93	-75.07
CC1=CC=CC=C1C1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087887	0	50	0.0	-82.30	401.35	12.37	-69.93
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(C4=CC=CC=C4F)C3)=C2)C=C1	REAL300018087888	0	47	0.0	-86.43	388.56	11.89	-74.54
CCOC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C12CCC2	REAL300018087889	0	51	0.0	-81.97	407.93	10.46	-71.51
CCOC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087890	0	44	0.0	-77.44	362.78	8.31	-69.13
CC(C)CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087891	0	49	0.0	-86.80	401.90	10.32	-76.48
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC(F)F)CC3)=C2)C=C1	REAL300018087892	0	48	0.0	-83.03	385.00	8.10	-74.93
COC1=CC=CC2=C1CCC([NH2+]CC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)C2	REAL300018087893	0	51	0.0	-84.80	406.20	10.98	-73.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCCC3CCCCC3)=C2)C=C1	REAL300018087894	0	52	0.0	-80.52	404.46	11.79	-68.73
COC1(CC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCC1	REAL300018087895	0	50	0.0	-71.82	383.15	9.69	-62.13
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CC4=CC=CC=C4C3)=C2)C=C1	REAL300018087896	0	47	0.0	-86.43	382.85	11.94	-74.49
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1Cl	REAL300018087897	0	43	0.0	-83.66	376.14	11.17	-72.49
COC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1C	REAL300018087898	0	47	0.0	-85.18	390.25	10.11	-75.07
CC(O)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087899	0	43	0.0	-85.89	379.61	5.48	-80.41
C=CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087900	0	41	0.0	-89.66	355.28	9.07	-80.59
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CS3)=C2)C=C1	REAL300018087901	0	37	0.0	-84.22	347.84	9.69	-74.53
CC(C)(C)C1=CC=C(CC[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087902	0	55	0.0	-82.42	438.39	13.18	-69.24
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087903	0	47	0.0	-86.67	408.12	11.01	-75.66
CN1N=CC(Br)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087904	1	40	0.0	-83.38	362.67	8.23	-75.15
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C(Cl)C=CS3)=C2)C=C1	REAL300018087905	0	37	0.0	-76.55	346.19	9.62	-66.93
CCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1F	REAL300018087906	0	47	0.0	-92.92	398.26	10.37	-82.55
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4=CC=CO4)S3)=C2)C=C1	REAL300018087907	0	43	0.0	-87.63	388.53	9.17	-78.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4N3)=C2)C=C1	REAL300018087908	0	44	0.0	-87.18	372.56	10.01	-77.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NN3C3=CC=CC=C3)=C2)C=C1	REAL300018087909	0	47	0.0	-88.59	396.85	10.97	-77.62
CC(C)(C)C1=CN=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087910	1	48	0.0	-83.37	407.07	9.86	-73.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3(C4=CC=CC=C4)CCOC3)=C2)C=C1	REAL300018087911	0	51	0.0	-81.33	403.26	10.64	-70.69
CSC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087912	0	41	0.0	-82.90	374.25	10.39	-72.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(OCCCCl)C=C3)=C2)C=C1	REAL300018087913	0	50	0.0	-85.76	430.69	11.72	-74.04
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C=C2)C=N1	REAL300018087914	0	50	0.0	-87.48	420.80	11.35	-76.13
CC1COCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087915	0	44	0.0	-82.23	343.99	7.77	-74.46
CC(C)C(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300018087916	0	52	0.0	-78.86	414.85	12.42	-66.44
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCOCC1	REAL300018087917	0	47	0.0	-82.90	362.34	8.28	-74.62
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCOC1	REAL300018087918	0	44	0.0	-83.90	344.88	7.48	-76.42
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCS(=O)(=O)CC1	REAL300018087919	0	49	0.0	-100.34	390.87	6.80	-93.54
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NN3C3=CC=C(F)C=C3)=C2)C=C1	REAL300018087920	0	47	0.0	-93.75	403.30	11.04	-82.71
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087921	0	50	0.0	-87.58	415.99	11.89	-75.69
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCC(C4=CC=CC=C4)CC3)=C2)C=C1	REAL300018087922	0	56	0.0	-84.23	438.94	13.85	-70.38
CC(C)CC(C)C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087923	0	48	0.0	-79.04	376.99	10.43	-68.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3CCCCCC3)=C2)C=C1	REAL300018087924	0	52	0.0	-80.95	394.13	11.42	-69.53
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)NN=C1	REAL300018087925	0	40	0.0	-88.56	339.71	7.10	-81.46
CC1=CNN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087925	1	40	0.0	-83.53	340.44	7.07	-76.46
CC1=NN(C(C)C)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087926	0	49	0.0	-84.05	404.10	9.78	-74.27
CC1=CC=CN=C1C1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087927	0	55	0.0	-83.11	425.33	12.00	-71.11
CN1C(Cl)=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087928	1	40	0.0	-83.62	357.69	8.82	-74.80
COC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1F	REAL300018087929	0	44	0.0	-79.04	375.55	9.39	-69.65
CCC1=CC(OC)=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087930	0	50	0.0	-85.67	403.69	10.65	-75.02
CSC1(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018087931	0	41	0.0	-77.15	353.96	9.63	-67.52
CSC1(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCC1	REAL300018087932	0	44	0.0	-77.71	364.18	10.13	-67.58
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)S2)C=N1	REAL300018087933	0	47	0.0	-87.33	414.63	10.75	-76.58
COC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1OC	REAL300018087934	0	48	0.0	-86.00	399.46	9.33	-76.67
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CC=CN=C3)=C2)C=C1	REAL300018087935	0	46	0.0	-86.21	391.61	8.17	-78.04
CN1C=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087936	1	40	0.0	-89.63	341.19	8.44	-81.19
CC1=NNC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087937	0	40	0.0	-85.15	340.17	7.15	-78.00
CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C=C12	REAL300018087938	0	48	0.0	-97.05	407.00	9.80	-87.25
CCN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087939	0	43	0.0	-87.56	365.02	8.73	-78.83
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=N1	REAL300018087940	1	39	0.0	-83.00	337.55	6.58	-76.42
CN1C=NC2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC=C21	REAL300018087941	0	46	0.0	-86.04	389.07	11.41	-74.63
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087942	0	46	0.0	-89.23	386.41	10.65	-78.58
CC1=CC=C(O)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087943	0	43	0.0	-78.36	366.99	6.07	-72.29
CC1=CN=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087944	0	42	0.0	-87.30	350.81	8.90	-78.40
CN1N=NC2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC=C21	REAL300018087945	0	45	0.0	-99.23	384.72	8.52	-90.71
CC(C)N1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087946	0	46	0.0	-86.96	383.70	9.26	-77.70
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)OC=C1	REAL300018087947	0	40	0.0	-80.99	342.04	8.83	-72.16
CC(C)N1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087948	0	46	0.0	-87.64	383.75	9.21	-78.43
COC1=NC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087949	0	42	0.0	-84.49	362.70	4.71	-79.78
CN1N=NC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087950	0	39	0.0	-97.66	335.48	6.44	-91.22
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=NC=CN43)=C2)C=C1	REAL300018087951	0	43	0.0	-97.94	366.00	10.43	-87.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)N=C3)=C2)C=C1	REAL300018087952	0	45	0.0	-90.76	382.73	9.72	-81.04
COCCN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018087953	0	47	0.0	-88.29	398.75	7.79	-80.50
CCN1N=C(C)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087954	1	45	0.0	-87.35	379.82	7.66	-79.69
CCN1N=NC(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087955	0	45	0.0	-97.30	377.95	7.84	-89.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCCCCOC3=CC=CC=C3)=C2)C=C1	REAL300018087956	0	53	0.0	-84.00	435.21	12.00	-72.00
CCC1CCCCC1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087957	0	52	0.0	-80.97	396.74	11.50	-69.47
CC(C)(C)C1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCO1	REAL300018087958	0	53	0.0	-79.96	405.06	9.67	-70.29
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCOC4(CCCC4)C3)=C2)C=C1	REAL300018087959	0	51	0.0	-83.84	389.48	9.47	-74.37
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018087960	0	54	0.0	-88.32	442.26	10.26	-78.06
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCSC3)=C2)C=C1	REAL300018087961	0	41	0.0	-84.07	344.31	9.42	-74.65
CCCC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCC1	REAL300018087962	0	52	0.0	-77.94	394.25	11.48	-66.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(C4CCOC4)CC3)=C2)C=C1	REAL300018087963	0	53	0.0	-81.40	402.93	6.83	-74.57
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(OC4CCOC4)C=C3)=C2)C=C1	REAL300018087964	0	52	0.0	-88.29	426.02	9.71	-78.58
COC1=CC=CC(CC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087965	0	49	0.0	-71.95	395.18	9.02	-62.93
CSC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018087966	0	41	0.0	-83.54	365.98	9.41	-74.13
CN1C=C(C2=NC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CS2)C=N1	REAL300018087967	1	46	0.0	-89.61	410.18	8.65	-80.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(C4CC4)=C3)=C2)C=C1	REAL300018087968	0	47	0.0	-82.94	389.89	12.16	-70.78
CC(C)(C)C1=CSC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018087969	1	48	0.0	-79.60	406.26	9.78	-69.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCCC4)S3)=C2)C=C1	REAL300018087970	0	49	0.0	-84.33	412.66	10.71	-73.62
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCCCC4)S3)=C2)C=C1	REAL300018087971	0	52	0.0	-83.65	431.28	11.29	-72.36
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)S3)=C2)C=C1	REAL300018087972	0	43	0.0	-84.30	378.59	9.71	-74.59
CC(C)CC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087973	0	48	0.0	-84.10	408.58	10.25	-73.85
CC(C)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087974	0	45	0.0	-84.29	389.71	9.39	-74.90
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4=CC=CS4)S3)=C2)C=C1	REAL300018087975	0	43	0.0	-85.59	397.63	10.16	-75.43
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4=CSC=C4)S3)=C2)C=C1	REAL300018087976	0	43	0.0	-86.05	396.84	10.04	-76.01
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)S2)O1	REAL300018087977	0	46	0.0	-87.34	410.45	9.99	-77.35
COCCC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018087978	0	46	0.0	-86.37	402.53	7.86	-78.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(CC(F)(F)F)N=C3)=C2)C=C1	REAL300018087979	0	43	0.0	-93.28	382.90	9.24	-84.04
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CC=CC=C3F)=C2)C=C1	REAL300018087980	0	47	0.0	-86.93	403.48	10.00	-76.93
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087981	0	51	0.0	-76.60	424.31	9.61	-66.99
CC1CCCCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087982	0	49	0.0	-77.08	367.20	10.55	-66.53
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(C4=NC=CS4)CC3)=C2)C=C1	REAL300018087983	0	48	0.0	-84.55	396.50	8.52	-76.03
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC4CCCO4)CC3)=C2)C=C1	REAL300018087984	0	56	0.0	-78.28	430.64	8.03	-70.25
CC1=CSC(N2CCC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CC2)=N1	REAL300018087985	0	51	0.0	-84.81	418.30	9.11	-75.70
CC(C)C1CCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087986	0	49	0.0	-76.83	377.64	10.80	-66.03
C#CCOC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087987	1	46	0.0	-74.73	410.53	11.31	-63.42
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC4=C(CCC4)S3)=C2)C=C1	REAL300018087988	0	43	0.0	-84.61	371.37	9.24	-75.37
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2=CC=CS2)=N1	REAL300018087989	0	47	0.0	-79.52	407.36	10.51	-69.01
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(C)(C)C)=N1	REAL300018087990	0	52	0.0	-85.66	409.74	10.25	-75.41
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018087991	0	50	0.0	-80.90	424.70	10.50	-70.40
COCC(CC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087992	0	50	0.0	-78.52	406.94	10.64	-67.88
CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087993	0	48	0.0	-80.39	398.76	10.17	-70.22
CC(CCC1=CC=C(Cl)S1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087994	0	46	0.0	-84.68	404.91	11.90	-72.78
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4=CC=CN=C4)S3)=C2)C=C1	REAL300018087995	0	45	0.0	-87.32	400.76	9.31	-78.01
CCC(CC1=CC=C(Cl)C=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087996	0	49	0.0	-80.27	401.56	12.34	-67.93
CC(C)(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300018087997	0	49	0.0	-82.33	388.80	11.78	-70.55
COC(C)C(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018087998	0	43	0.0	-73.35	346.46	7.62	-65.73
CC1CCCC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018087999	0	49	0.0	-81.20	382.58	11.02	-70.18
CC(C)CC1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088000	0	55	0.0	-79.88	417.29	11.97	-67.91
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1F	REAL300018088302	0	43	0.0	-84.65	367.40	10.78	-73.87
CC1(C)CCCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088303	0	49	0.0	-76.93	366.89	10.50	-66.43
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])=C2)C=C1	REAL300018088305	0	42	0.0	-78.77	377.16	11.17	-67.60
CC(C)=CCCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088306	0	49	0.0	-78.82	389.82	11.18	-67.64
CC1(C)CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC(C)(C)C1	REAL300018088307	0	55	0.0	-78.73	410.61	11.38	-67.35
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088308	0	53	0.0	-82.79	429.55	12.26	-70.53
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)=C2)C=C1	REAL300018088309	0	47	0.0	-85.62	408.04	12.68	-72.94
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4S3)=C2)C=C1	REAL300018088310	0	43	0.0	-86.45	378.06	11.61	-74.84
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088311	0	50	0.0	-84.37	409.95	10.91	-73.46
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1F	REAL300018088312	0	43	0.0	-87.88	367.46	10.77	-77.11
CC1CCC(C)C([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088313	0	49	0.0	-79.52	371.05	10.56	-68.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4NC=CC4=CC=C3)=C2)C=C1	REAL300018088314	0	44	0.0	-84.56	372.09	10.07	-74.49
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)=C2)C=C1	REAL300018088315	0	39	0.0	-95.07	360.72	9.87	-85.20
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC=C3N3CCOCC3)=C2)C=C1	REAL300018088316	0	53	0.0	-79.88	425.25	9.64	-70.24
CC1CC(C)CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088317	0	49	0.0	-79.20	374.26	10.43	-68.77
CC(C)CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088318	0	52	0.0	-82.13	421.82	12.75	-69.38
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=C2)C=C1	REAL300018088319	0	53	0.0	-85.58	436.35	14.15	-71.43
CC1=CC(C)=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088320	0	46	0.0	-82.34	383.49	11.39	-70.95
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1[N+](=O)[O-]	REAL300018088321	0	46	0.0	-95.89	396.20	10.80	-85.09
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)=C2)C=C1	REAL300018088322	0	40	0.0	-88.12	374.14	11.08	-77.04
CC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088323	0	46	0.0	-81.50	373.90	11.14	-70.36
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088324	0	53	0.0	-84.21	436.74	14.15	-70.06
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)=C2)C=C1	REAL300018088325	0	44	0.0	-87.36	379.93	9.65	-77.71
CCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OCC	REAL300018088326	0	54	0.0	-89.29	443.13	11.10	-78.19
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=CS3)=C2)C=C1	REAL300018088327	1	36	0.0	-83.93	325.52	7.21	-76.72
CC(C)C1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088328	0	52	0.0	-79.44	395.52	11.19	-68.25
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=CN=C3)=C2)C=C1	REAL300018088329	0	38	0.0	-90.10	330.31	8.07	-82.03
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)=C2)C=C1	REAL300018088330	0	43	0.0	-92.61	380.34	9.17	-83.44
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NC4=CC=CC=C34)=C2)C=C1	REAL300018088331	0	45	0.0	-91.71	377.11	10.33	-81.38
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)=C2)C=C1	REAL300018088332	0	44	0.0	-86.29	386.68	9.86	-76.43
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088333	0	46	0.0	-95.57	401.37	7.59	-87.98
CC(CCOCC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088334	0	53	0.0	-82.31	431.72	11.49	-70.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)=C2)C=C1	REAL300018088335	0	47	0.0	-85.87	400.29	12.39	-73.48
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCOCC3)=C2)C=C1	REAL300018088336	0	41	0.0	-79.31	330.69	7.07	-72.24
CC(C)CCCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088337	0	51	0.0	-78.01	398.35	11.26	-66.75
CCCCC(CC)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088338	0	48	0.0	-77.42	373.45	10.54	-66.88
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C2=CC=CC=C12	REAL300018088339	0	50	0.0	-88.09	410.06	11.56	-76.53
CCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088340	0	43	0.0	-82.26	374.27	10.75	-71.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CCCOC3)=C2)C=C1	REAL300018088341	0	42	0.0	-82.94	347.66	7.89	-75.05
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088342	0	46	0.0	-84.87	387.09	10.40	-74.47
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4OCCC4=C3)=C2)C=C1	REAL300018088343	0	45	0.0	-86.51	376.57	9.90	-76.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC(Br)=C3)=C2)C=C1	REAL300018088344	0	37	0.0	-84.57	352.33	9.75	-74.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)=C2)C=C1	REAL300018088345	0	51	0.0	-88.70	414.60	9.97	-78.73
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=CS3)=C2)C=C1	REAL300018088346	0	36	0.0	-84.79	325.49	7.32	-77.47
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4C=CNC4=CC=C3)=C2)C=C1	REAL300018088347	0	44	0.0	-81.77	371.86	10.09	-71.68
CN1C=NC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088348	0	40	0.0	-84.82	340.82	9.20	-75.62
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4C=CNC4=C3)=C2)C=C1	REAL300018088349	0	44	0.0	-86.55	372.05	10.09	-76.46
CC1=NN(C)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088350	0	43	0.0	-89.95	363.29	8.22	-81.73
CC(CC1=CC=CS1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088351	0	43	0.0	-73.49	365.80	10.54	-62.95
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)=C2)C=C1	REAL300018088352	0	43	0.0	-93.41	380.30	9.16	-84.25
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088353	0	43	0.0	-86.91	361.97	10.77	-76.14
CC1(C)CCC2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC=C2O1	REAL300018088354	0	54	0.0	-86.60	431.37	11.89	-74.71
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088355	0	55	0.0	-79.48	419.86	13.03	-66.45
CN(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088356	0	48	0.0	-76.22	393.40	10.09	-66.13
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)=C2)C=C1	REAL300018088357	0	49	0.0	-89.35	409.96	11.71	-77.64
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)=C2)C=C1	REAL300018088358	0	49	0.0	-89.55	410.15	11.72	-77.83
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC=N3)=C2)C=C1	REAL300018088359	1	36	0.0	-83.29	325.29	7.07	-76.22
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)=C2)C=C1	REAL300018088360	0	50	0.0	-85.90	400.58	7.92	-77.98
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)=C2)C=C1	REAL300018088361	0	54	0.0	-85.79	427.44	8.61	-77.18
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)=C2)C=C1	REAL300018088362	0	47	0.0	-92.25	405.98	11.35	-80.90
CC1=NNC(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088363	0	43	0.0	-84.15	361.16	7.60	-76.55
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088364	0	49	0.0	-86.64	403.50	9.89	-76.75
CN1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088365	0	40	0.0	-88.25	341.30	7.63	-80.62
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)=C2)C=C1	REAL300018088366	0	50	0.0	-91.06	409.70	9.94	-81.12
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088368	0	49	0.0	-87.46	405.95	9.71	-77.75
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088369	0	51	0.0	-83.51	425.66	9.56	-73.95
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1Cl	REAL300018088370	0	44	0.0	-90.64	386.21	9.92	-80.72
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)=C2)C=C1	REAL300018088371	1	45	0.0	-89.89	400.94	8.99	-80.90
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088372	0	52	0.0	-92.95	422.06	11.64	-81.31
COC1=NC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088373	0	43	0.0	-78.85	366.45	6.84	-72.01
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(Br)C=N3)=C2)C=C1	REAL300018088374	0	39	0.0	-81.34	357.03	8.85	-72.49
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(N4CCOCC4)S3)=C2)C=C1	REAL300018088375	0	49	0.0	-86.73	414.42	7.38	-79.35
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)=C2)C=C1	REAL300018088376	0	45	0.0	-91.06	376.84	10.32	-80.74
CC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088377	0	39	0.0	-84.65	347.44	8.03	-76.62
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CC(CN1C=NC=N1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088386	0	42	0.0	-90.00	354.00	10.22	-79.78
C#CCCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088387	0	49	0.0	-85.97	419.31	11.62	-74.35
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CC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088390	0	41	0.0	-90.21	352.15	8.05	-82.16
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)=C2)C=C1	REAL300018088391	0	54	0.0	-81.93	434.77	12.25	-69.68
CCC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088392	0	42	0.0	-84.61	368.92	8.79	-75.82
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CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2=CC=CN=C2)=N1	REAL300018088394	0	49	0.0	-90.98	414.74	9.45	-81.53
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2=CC=NC=C2)=N1	REAL300018088395	0	49	0.0	-95.32	415.02	9.49	-85.83
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C4C=CC=CN34)=C2)C=C1	REAL300018088396	0	43	0.0	-93.26	367.58	10.51	-82.75
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088397	0	44	0.0	-83.41	382.01	9.06	-74.35
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088398	0	50	0.0	-82.00	409.95	10.92	-71.08
CC(C)C1=NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CS1	REAL300018088399	1	45	0.0	-83.09	388.44	9.11	-73.98
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC(C4CC4)=N3)=C2)C=C1	REAL300018088400	1	43	0.0	-83.74	377.13	9.29	-74.45
CCC1=NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CS1	REAL300018088401	1	42	0.0	-77.72	368.79	8.54	-69.18
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088402	0	49	0.0	-82.21	404.11	12.27	-69.94
CC1=CC=CC(CCC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088403	0	52	0.0	-80.29	419.10	12.87	-67.42
CC1=CC=C(CCC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088404	0	52	0.0	-80.39	419.05	12.88	-67.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC(F)(F)CC3)=C2)C=C1	REAL300018088405	0	43	0.0	-83.35	350.68	9.59	-73.76
CC(C1=CC=CC=C1)N1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088406	0	55	0.0	-80.22	436.81	10.79	-69.43
O=C([O-])C1=NN(C2=CC=CC(CNC3CC[NH+](CC4CC4)CC3)=C2)C=C1	REAL300018088407	1	52	0.0	-78.47	406.43	10.32	-68.15
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC4CC4)CC3)=C2)C=C1	REAL300018088407	1	52	0.0	-78.06	403.37	8.99	-69.07
CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CS1	REAL300018088408	1	48	0.0	-77.47	407.44	9.61	-67.86
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)=C2)C=C1	REAL300018088409	1	43	0.0	-79.52	396.62	9.80	-69.72
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)=C2)C=C1	REAL300018088410	0	44	0.0	-93.42	376.72	8.48	-84.94
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC=C3OC3CCCC3)=C2)C=C1	REAL300018088411	0	54	0.0	-76.54	433.38	12.34	-64.20
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)=C2)C=C1	REAL300018088412	0	43	0.0	-80.78	384.44	11.09	-69.69
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088413	0	48	0.0	-83.50	407.52	9.86	-73.64
CC(C)C[NH+]1CCC(NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088414	1	54	0.0	-80.77	414.03	10.22	-70.55
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C(C)S1	REAL300018088415	0	43	0.0	-82.44	369.78	10.59	-71.85
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCC1	REAL300018088416	0	46	0.0	-79.29	354.47	10.01	-69.28
C#CCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088417	0	46	0.0	-86.86	397.82	10.84	-76.02
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)=C2)C=C1	REAL300018088418	0	54	0.0	-85.81	426.91	8.72	-77.09
CC(C)(C)[NH+]1CCC(NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088419	1	54	0.0	-71.34	404.11	9.52	-61.82
COCCCOC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088420	0	54	0.0	-83.46	447.21	10.16	-73.30
COC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1SC	REAL300018088421	0	48	0.0	-89.58	409.59	10.41	-79.17
CCOCC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1OC	REAL300018088422	0	54	0.0	-81.83	444.32	10.28	-71.55
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)=C2)C=C1	REAL300018088423	0	47	0.0	-90.97	400.14	10.00	-80.97
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088424	0	49	0.0	-86.78	418.94	11.03	-75.75
C=CCCC(CC)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088425	0	46	0.0	-78.07	364.76	10.32	-67.75
CCN1C=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088426	1	43	0.0	-87.35	357.62	9.43	-77.92
CCOCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088427	0	43	0.0	-79.71	351.55	7.78	-71.93
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088428	0	52	0.0	-83.10	415.10	12.78	-70.32
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)=C2)C=C1	REAL300018088429	1	46	0.0	-94.59	393.58	9.89	-84.70
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)=C2)C=C1	REAL300018088430	0	46	0.0	-81.92	403.83	10.84	-71.08
CCN1N=C(C)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1C	REAL300018088431	0	49	0.0	-87.40	403.37	9.67	-77.73
C=CCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1Cl	REAL300018088432	0	48	0.0	-91.00	420.97	11.43	-79.57
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)=C2)C=C1	REAL300018088433	0	46	0.0	-86.24	405.71	11.09	-75.15
C=CCC(C)C(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088434	0	46	0.0	-77.85	365.66	10.15	-67.70
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088435	0	53	0.0	-80.20	425.00	10.95	-69.25
CC(C)CCC1CCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088436	0	55	0.0	-78.00	423.70	12.29	-65.71
CCCCC1CCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088437	0	52	0.0	-77.82	406.13	11.78	-66.04
COC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C2OC(C)CC2=C1	REAL300018088438	0	52	0.0	-78.71	427.10	9.94	-68.77
CN1N=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C2=CC=CC=C21	REAL300018088439	0	46	0.0	-82.52	390.63	9.99	-72.53
CN1C=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088440	1	40	0.0	-79.06	343.61	7.78	-71.28
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4C=CC=CC4=NN3)=C2)C=C1	REAL300018088441	0	43	0.0	-95.92	367.56	8.68	-87.24
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1F	REAL300018088442	0	48	0.0	-90.93	401.64	9.61	-81.32
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)=C2)C=C1	REAL300018088443	1	43	0.0	-91.25	378.25	9.54	-81.71
CC1CCCCC1[NH+]1CCC(NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088444	1	61	0.0	-76.44	443.55	11.61	-64.83
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC=C2O1	REAL300018088445	0	51	0.0	-86.16	418.09	11.31	-74.85
CC1=NSC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088446	0	39	0.0	-90.03	347.23	8.48	-81.55
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)=C2)C=C1	REAL300018088447	1	46	0.0	-81.99	397.40	8.51	-73.48
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)=C2)C=C1	REAL300018088448	1	43	0.0	-86.32	397.15	9.89	-76.43
CC(CC1=CSC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088449	0	43	0.0	-75.08	365.70	10.37	-64.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCCCCCC3)=C2)C=C1	REAL300018088450	0	52	0.0	-81.93	383.35	11.25	-70.68
CC1=CSC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088451	1	39	0.0	-84.11	347.32	7.80	-76.31
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088452	0	50	0.0	-89.64	418.53	10.60	-79.04
CC1=NC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088453	0	42	0.0	-85.14	350.61	8.87	-76.27
CC(CSC(C)(C)C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088454	0	49	0.0	-72.91	396.60	10.85	-62.06
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N1C	REAL300018088455	0	48	0.0	-89.96	399.38	9.14	-80.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)=C2)C=C1	REAL300018088456	0	47	0.0	-84.62	399.66	10.38	-74.24
CC(C)OCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088457	0	46	0.0	-79.83	371.82	8.54	-71.29
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088458	0	53	0.0	-84.23	433.63	11.79	-72.44
COCCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088459	0	51	0.0	-86.29	425.66	9.56	-76.73
COCC(CC(C)C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088460	0	49	0.0	-74.59	386.09	8.76	-65.83
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCOC3)=C2)C=C1	REAL300018088461	0	41	0.0	-79.14	330.69	7.10	-72.04
CC1(C)CCCC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088462	0	52	0.0	-80.97	395.66	11.30	-69.67
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088463	0	51	0.0	-82.29	407.20	10.99	-71.30
CC1(C)CCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088464	0	46	0.0	-76.01	357.41	10.40	-65.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4CCCC4=C3)=C2)C=C1	REAL300018088465	0	47	0.0	-82.85	386.19	11.98	-70.87
CC1=CC=CC=C1CC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088466	0	49	0.0	-74.78	391.47	11.86	-62.92
CC1=CC=CC(CC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088467	0	49	0.0	-74.84	396.92	12.09	-62.75
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)OCO2	REAL300018088468	0	47	0.0	-83.58	394.83	8.09	-75.49
COC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)SC=C1	REAL300018088469	0	41	0.0	-75.79	360.79	8.47	-67.32
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088470	0	53	0.0	-82.01	433.64	11.79	-70.22
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)=C2)C=C1	REAL300018088471	0	46	0.0	-90.54	387.27	12.24	-78.30
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3CCOCC3)=C2)C=C1	REAL300018088472	0	47	0.0	-84.24	374.17	8.62	-75.62
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCSCC3)=C2)C=C1	REAL300018088473	0	44	0.0	-84.72	361.32	10.13	-74.59
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088474	0	53	0.0	-76.45	432.28	11.84	-64.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCCCCC3)=C2)C=C1	REAL300018088475	0	49	0.0	-81.42	373.61	10.80	-70.62
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=C2O1	REAL300018088476	0	51	0.0	-75.91	417.89	11.27	-64.64
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)=C2)C=C1	REAL300018088477	1	39	0.0	-78.93	364.13	9.11	-69.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC4=C(CCCC4)S3)=C2)C=C1	REAL300018088478	0	46	0.0	-83.78	389.26	9.81	-73.97
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NC=C3Br)=C2)C=C1	REAL300018088479	1	39	0.0	-80.16	352.36	8.84	-71.32
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NC=C3Cl)=C2)C=C1	REAL300018088480	0	39	0.0	-80.80	348.75	8.74	-72.06
CC(C)(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)N1CCOCC1	REAL300018088481	0	52	0.0	-79.64	393.95	7.08	-72.56
CCC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCC1	REAL300018088482	0	49	0.0	-76.77	372.90	10.68	-66.09
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NN1C	REAL300018088483	1	43	0.0	-83.55	363.04	8.24	-75.31
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088484	0	46	0.0	-81.32	389.83	12.28	-69.04
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2=CC=CC=C2)=N1	REAL300018088485	0	50	0.0	-90.50	420.16	11.22	-79.28
CCC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088486	0	44	0.0	-90.13	373.69	8.65	-81.48
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)=C2)C=C1	REAL300018088487	0	47	0.0	-90.57	399.09	11.26	-79.31
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NO1	REAL300018088488	1	39	0.0	-86.20	337.60	8.21	-77.99
CCN1C=NC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088489	0	43	0.0	-87.67	357.51	10.21	-77.46
CC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N1C	REAL300018088490	0	43	0.0	-84.92	361.62	9.06	-75.86
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)=C2)C=C1	REAL300018088491	0	45	0.0	-90.91	381.68	10.55	-80.36
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=NNC=C43)=C2)C=C1	REAL300018088492	0	43	0.0	-95.16	366.80	8.76	-86.40
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=CNN=C43)=C2)C=C1	REAL300018088493	0	43	0.0	-83.09	367.01	8.75	-74.34
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C4CCCN34)=C2)C=C1	REAL300018088494	0	44	0.0	-89.84	366.75	9.65	-80.19
CS(=O)(=O)N1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088495	0	48	0.0	-92.12	394.47	5.91	-86.21
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)C=N3)=C2)C=C1	REAL300018088496	0	39	0.0	-81.90	342.12	8.32	-73.58
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)SC=N1	REAL300018088497	0	39	0.0	-84.63	344.65	7.83	-76.80
COC1=CC(F)=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088498	0	44	0.0	-87.06	376.59	9.43	-77.63
CC(CC1=CN=CC=N1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088499	0	44	0.0	-75.02	363.20	8.45	-66.57
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088500	0	50	0.0	-89.67	412.36	10.02	-79.65
CC1=NOC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088501	1	39	0.0	-86.94	337.66	8.25	-78.69
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=CO1	REAL300018088502	0	40	0.0	-80.97	340.66	8.86	-72.11
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(Cl)=C1	REAL300018088503	0	43	0.0	-75.64	374.79	11.18	-64.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)=C2)C=C1	REAL300018088504	0	42	0.0	-103.31	381.35	11.11	-92.20
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3=CC=CC(Cl)=C3)=C2)C=C1	REAL300018088505	0	43	0.0	-86.39	378.92	11.36	-75.03
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC3C3=CC=CC=C3)=C2)C=C1	REAL300018088506	0	50	0.0	-74.88	391.15	12.76	-62.12
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)=C2)C=C1	REAL300018088507	0	45	0.0	-80.88	397.21	11.11	-69.77
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)=C2)C=C1	REAL300018088508	0	45	0.0	-73.93	394.48	11.00	-62.93
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)=C2)C=C1	REAL300018088509	0	45	0.0	-80.04	386.05	10.64	-69.40
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)=C2)C=C1	REAL300018088510	0	45	0.0	-81.84	386.89	10.67	-71.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)=C2)C=C1	REAL300018088511	0	45	0.0	-79.22	394.91	11.03	-68.19
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088512	0	45	0.0	-91.54	392.89	8.66	-82.88
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)=C2)C=C1	REAL300018088513	0	42	0.0	-89.61	381.60	11.18	-78.43
CC(C)CCN1C=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088514	0	53	0.0	-84.91	427.69	12.45	-72.46
CCC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCO1	REAL300018088515	0	47	0.0	-79.74	372.65	8.66	-71.08
CC(C)C1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCO1	REAL300018088516	0	50	0.0	-82.93	389.72	9.20	-73.73
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4CCCCC4=C3)=C2)C=C1	REAL300018088517	0	50	0.0	-82.66	403.37	12.56	-70.10
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC(C4CCCCC4)CC3)=C2)C=C1	REAL300018088518	0	59	0.0	-81.85	430.71	13.28	-68.57
CC(C)CC(C)CC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088519	0	54	0.0	-77.77	412.25	11.64	-66.13
CC1=CC=C(C(C)C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088520	0	49	0.0	-82.84	398.10	12.05	-70.79
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1C(C)(C)C	REAL300018088521	0	56	0.0	-84.50	441.40	12.05	-72.45
COCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018088522	0	44	0.0	-83.20	377.06	8.09	-75.11
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088523	0	53	0.0	-81.61	421.07	11.21	-70.40
CC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCCC1	REAL300018088524	0	52	0.0	-80.56	396.59	11.52	-69.04
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088525	0	45	0.0	-96.69	394.85	5.03	-91.66
CCC(CC)(CC)C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088526	0	51	0.0	-78.36	379.26	10.57	-67.79
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)=C2)C=C1	REAL300018088528	0	47	0.0	-79.73	392.13	12.04	-67.69
CC1=CNC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088529	1	40	0.0	-81.97	342.09	7.39	-74.58
CCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)=C1	REAL300018088530	0	50	0.0	-84.15	406.85	10.92	-73.23
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088531	0	47	0.0	-76.47	390.23	10.10	-66.37
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CCC4=CC=CC=C4C3)=C2)C=C1	REAL300018088532	0	50	0.0	-85.69	400.26	12.52	-73.17
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088533	0	42	0.0	-87.31	382.28	9.18	-78.13
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)=C2)C=C1	REAL300018088534	0	50	0.0	-85.12	407.55	12.47	-72.65
CC1=NC(C)=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018088535	0	42	0.0	-87.60	358.73	6.21	-81.39
COCC1=CSC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088536	0	44	0.0	-81.81	386.26	8.90	-72.91
CCCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088537	0	46	0.0	-82.25	395.77	11.52	-70.73
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=C1	REAL300018088538	0	42	0.0	-77.99	357.15	8.90	-69.09
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NS3)=C2)C=C1	REAL300018088539	0	36	0.0	-85.22	325.54	7.89	-77.33
CC(C)N1C=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088540	1	46	0.0	-79.75	381.59	9.88	-69.87
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=CC=C1[N+](=O)[O-]	REAL300018088541	0	45	0.0	-99.91	381.04	11.33	-88.58
COC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1Cl	REAL300018088542	0	44	0.0	-89.77	386.21	9.92	-79.85
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CS1	REAL300018088543	0	40	0.0	-82.22	352.54	9.82	-72.40
COC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088544	0	47	0.0	-75.97	385.84	9.95	-66.02
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4OC=CC4=CC=C3)=C2)C=C1	REAL300018088545	0	43	0.0	-84.56	368.07	10.39	-74.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)=C2)C=C1	REAL300018088546	1	47	0.0	-81.13	399.63	11.19	-69.94
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)=C2)C=C1	REAL300018088547	0	39	0.0	-91.92	366.80	8.48	-83.44
CC1CSCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088548	0	41	0.0	-85.58	341.98	9.23	-76.35
CCC1=NN(C)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088549	0	46	0.0	-87.68	384.68	9.20	-78.48
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN4CCCCC4=C3)=C2)C=C1	REAL300018088550	1	47	0.0	-83.43	385.27	9.40	-74.03
CCC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088551	0	46	0.0	-82.47	383.56	11.50	-70.97
COC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088552	0	40	0.0	-87.03	358.19	5.68	-81.35
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)=C2)C=C1	REAL300018088553	0	44	0.0	-87.76	379.25	11.66	-76.10
CC1=NC=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088554	0	41	0.0	-86.95	347.65	6.87	-80.08
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(CC4)CC3)=C2)C=C1	REAL300018088555	0	47	0.0	-80.73	370.97	10.76	-69.97
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)=C2)C=C1	REAL300018088556	0	45	0.0	-86.91	380.11	7.43	-79.48
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)=C2)C=C1	REAL300018088557	0	43	0.0	-88.81	384.24	11.01	-77.80
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3C[C@@H]4CC[C@@H](C4)C3)=C2)C=C1	REAL300018088558	0	47	0.0	-78.26	341.33	10.93	-67.33
CC1=CC=CN2C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CN=C12	REAL300018088559	0	46	0.0	-87.41	388.96	11.10	-76.31
CCN1N=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088560	1	42	0.0	-92.87	354.06	9.23	-83.64
CN1C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CN=C1Cl	REAL300018088561	0	40	0.0	-92.87	357.07	8.93	-83.94
CN1C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CN=C1Br	REAL300018088562	0	40	0.0	-92.87	361.36	8.96	-83.91
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)=C2)C=C1	REAL300018088563	1	46	0.0	-85.57	400.06	9.97	-75.60
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)=C2)C=C1	REAL300018088564	0	40	0.0	-95.19	361.80	7.41	-87.78
CC1=CN=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N1C	REAL300018088565	1	43	0.0	-80.58	361.05	8.92	-71.66
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)=C2)C=C1	REAL300018088566	0	44	0.0	-87.84	379.13	10.08	-77.76
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)=C2)C=C1	REAL300018088567	0	44	0.0	-91.07	378.97	10.08	-80.99
CCOC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088568	0	46	0.0	-81.01	389.76	7.67	-73.34
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088569	0	43	0.0	-84.29	370.19	11.06	-73.23
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=NC=C4S3)=C2)C=C1	REAL300018088570	0	42	0.0	-90.88	372.80	9.82	-81.06
CC1=CC=CC2=NC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)N21	REAL300018088571	0	46	0.0	-86.21	378.09	10.90	-75.31
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088572	0	52	0.0	-86.88	424.73	10.81	-76.07
CCC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CC1(C)C	REAL300018088573	0	49	0.0	-75.61	383.20	10.93	-64.68
C=CCCCCCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088574	0	52	0.0	-77.99	415.09	12.08	-65.91
C=CCCCCC(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088575	0	49	0.0	-78.48	393.59	11.30	-67.18
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088576	0	43	0.0	-83.77	378.87	11.23	-72.54
COCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088577	0	47	0.0	-84.98	395.74	9.80	-75.18
COCC(CC(C)(C)C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088578	0	52	0.0	-76.28	399.67	9.58	-66.70
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)=C2)C=C1	REAL300018088579	0	45	0.0	-92.82	388.09	10.51	-82.31
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC2=CC=CN=C12	REAL300018088580	0	48	0.0	-91.87	401.92	11.25	-80.62
CC(C)C1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088581	0	52	0.0	-79.85	395.46	11.18	-68.67
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)SN=N1	REAL300018088582	0	38	0.0	-92.76	338.95	7.19	-85.57
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1C	REAL300018088583	0	53	0.0	-85.28	433.61	11.84	-73.44
COC1=C(C)C=NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1C	REAL300018088584	0	49	0.0	-84.30	403.18	8.87	-75.43
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088585	0	50	0.0	-79.86	414.52	11.70	-68.16
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCCC34CCCC4)=C2)C=C1	REAL300018088586	0	53	0.0	-77.90	390.27	11.76	-66.14
CCC1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088587	0	49	0.0	-75.61	372.25	10.92	-64.69
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088588	0	43	0.0	-92.23	393.82	6.75	-85.48
NC1=C(F)C=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088589	0	42	0.0	-84.29	356.69	8.19	-76.10
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)=C2)C=C1	REAL300018088590	0	43	0.0	-87.12	372.86	10.93	-76.19
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)=C2)C=C1	REAL300018088591	0	42	0.0	-94.82	380.09	8.04	-86.78
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCC4)=C2)C=C1	REAL300018088592	0	47	0.0	-83.07	384.89	11.89	-71.18
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C([N+](=O)[O-])=N1	REAL300018088593	0	42	0.0	-102.65	368.91	9.45	-93.20
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC(Cl)=CS3)=C2)C=C1	REAL300018088594	1	36	0.0	-82.21	342.44	7.63	-74.58
COC1=NSC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088595	0	40	0.0	-89.83	357.99	5.99	-83.84
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)=C2)C=C1	REAL300018088596	0	45	0.0	-80.67	378.40	10.35	-70.32
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088597	1	44	0.0	-72.95	382.89	9.83	-63.12
CC1=NC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N1C1=CC=CC=C1	REAL300018088598	0	50	0.0	-82.41	419.76	12.35	-70.06
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=NN1C	REAL300018088599	0	43	0.0	-82.66	360.34	8.33	-74.33
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1C	REAL300018088600	0	52	0.0	-83.58	425.88	10.46	-73.12
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1F	REAL300018088601	0	54	0.0	-90.33	439.95	11.12	-79.21
CCOC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C12CCCC2	REAL300018088602	0	54	0.0	-79.86	422.04	11.12	-68.74
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088603	0	51	0.0	-86.75	417.16	12.56	-74.19
CCC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCC1	REAL300018088604	0	46	0.0	-75.75	360.15	10.21	-65.54
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CCC(C4)C3)=C2)C=C1	REAL300018088605	0	47	0.0	-78.23	341.33	10.93	-67.30
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC34CCCC4)=C2)C=C1	REAL300018088606	0	50	0.0	-77.18	378.30	11.52	-65.66
CCCC(C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=CC=C1	REAL300018088607	0	52	0.0	-84.23	417.72	12.79	-71.44
CC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC(C2=CC=CC=C2)C1	REAL300018088608	0	56	0.0	-80.09	431.21	13.72	-66.37
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CC4)O3)=C2)C=C1	REAL300018088609	0	43	0.0	-86.99	369.40	7.37	-79.62
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088610	0	50	0.0	-80.49	415.06	11.05	-69.44
CC(C)(C)C1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088611	0	49	0.0	-77.77	380.45	10.60	-67.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)=C2)C=C1	REAL300018088612	0	42	0.0	-87.65	378.82	9.59	-78.06
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)=C2)C=C1	REAL300018088613	0	44	0.0	-85.11	385.03	9.77	-75.34
COC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC2=CC=CC=C21	REAL300018088614	0	50	0.0	-88.29	415.15	11.67	-76.62
CCOC1=CN=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088615	0	46	0.0	-87.66	387.02	8.47	-79.19
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088616	0	47	0.0	-87.45	398.50	10.36	-77.09
COC1=CC=C(C(C)C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088617	0	50	0.0	-85.96	406.17	10.67	-75.29
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088618	0	47	0.0	-90.36	393.06	9.72	-80.64
O=C([O-])C1=NN(C2=CC=CC(CNC3CC[N@@H+]4CCCC4C3)=C2)C=C1	REAL300018088619	1	49	0.0	-75.81	378.14	9.60	-66.21
O=C([O-])C1=NN(C2=CC=CC(CNC3CC[N@H+]4CCCC4C3)=C2)C=C1	REAL300018088619	1	49	0.0	-69.43	378.17	9.62	-59.81
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(CCCCC4)CC3)=C2)C=C1	REAL300018088620	0	56	0.0	-80.81	408.19	11.93	-68.88
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C(C)C1=CC=CC=C1	REAL300018088621	0	49	0.0	-81.02	391.21	11.74	-69.28
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)=C2)C=C1	REAL300018088622	0	48	0.0	-89.49	393.83	11.15	-78.34
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088623	0	55	0.0	-75.01	424.50	10.15	-64.86
COC1=CC=CC2=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C=CC=C12	REAL300018088624	0	50	0.0	-87.28	410.02	11.56	-75.72
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NN3CC3CC3)=C2)C=C1	REAL300018088625	0	47	0.0	-87.83	390.26	10.13	-77.70
CC(CCC1=CC=CN=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088626	0	48	0.0	-86.25	392.47	10.42	-75.83
CC(C)C1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088627	0	49	0.0	-82.48	400.90	11.99	-70.49
CN1N=CN=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088628	1	39	0.0	-87.34	335.96	8.30	-79.04
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)O1	REAL300018088629	1	42	0.0	-98.97	378.04	3.21	-95.76
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)=C2)C=C1	REAL300018088630	0	51	0.0	-85.59	419.54	13.10	-72.49
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(CCOCC4)CC3)=C2)C=C1	REAL300018088631	0	54	0.0	-84.02	399.73	9.59	-74.43
COC1=CN=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1C	REAL300018088632	0	46	0.0	-87.67	379.22	8.23	-79.44
NC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088633	0	42	0.0	-83.41	365.61	8.67	-74.74
CCC1=CNC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088634	1	43	0.0	-81.77	363.51	8.13	-73.64
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3=CC=C(F)C=C3Cl)=C2)C=C1	REAL300018088635	0	43	0.0	-87.75	382.34	11.33	-76.42
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CN=CC=C4O3)=C2)C=C1	REAL300018088636	0	42	0.0	-87.86	363.35	8.86	-79.00
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)=C2)C=C1	REAL300018088637	0	40	0.0	-90.27	371.53	10.37	-79.90
CC1=C2C=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)NC2=CC=C1	REAL300018088638	0	47	0.0	-87.63	393.58	10.65	-76.98
CCOC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088639	0	50	0.0	-80.56	391.86	9.58	-70.98
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)=C2)C=C1	REAL300018088640	0	40	0.0	-90.61	371.30	10.21	-80.40
CCCOC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)=C1	REAL300018088641	0	53	0.0	-84.95	428.40	11.73	-73.22
CC1=C(C)NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088642	1	43	0.0	-81.58	361.83	7.92	-73.66
CC1=CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088643	0	44	0.0	-80.02	352.64	10.03	-69.99
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OC1CC1	REAL300018088644	0	52	0.0	-90.53	430.46	10.93	-79.60
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(CCCC4)CC3)=C2)C=C1	REAL300018088645	0	53	0.0	-80.21	397.56	11.62	-68.59
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)=C2)C=C1	REAL300018088646	0	42	0.0	-93.34	368.69	9.18	-84.16
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4=CC=CC=C4CC3)=C2)C=C1	REAL300018088647	0	50	0.0	-80.73	391.75	12.06	-68.67
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=C(Br)S3)=C2)C=C1	REAL300018088648	1	36	0.0	-82.63	347.16	7.94	-74.69
CCC1(C)CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088649	0	52	0.0	-80.00	387.82	10.82	-69.18
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC4=CC=CC=C4C3)=C2)C=C1	REAL300018088650	0	50	0.0	-82.92	391.95	12.07	-70.85
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)F)=N1	REAL300018088651	0	43	0.0	-86.54	372.85	8.74	-77.80
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCCCC1	REAL300018088652	0	52	0.0	-78.82	384.90	11.31	-67.51
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018088653	0	52	0.0	-80.85	426.17	12.44	-68.41
CCC1(CC)CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088654	0	55	0.0	-78.67	402.32	11.33	-67.34
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCOC4)=C2)C=C1	REAL300018088655	0	48	0.0	-84.98	387.51	10.03	-74.95
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)=C2)C=C1	REAL300018088656	0	47	0.0	-87.23	396.26	12.26	-74.97
CC(CC1=COC2=CC=CC=C12)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088657	0	49	0.0	-86.98	402.00	11.76	-75.22
NS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088658	0	45	0.0	-91.60	394.85	5.02	-86.58
CCCN1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088659	0	46	0.0	-88.26	379.95	9.36	-78.90
CC1=CC=C2C=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)NC2=C1	REAL300018088660	0	47	0.0	-87.13	393.99	10.67	-76.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4CCCN4N=C3)=C2)C=C1	REAL300018088661	0	44	0.0	-88.52	367.15	8.67	-79.85
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN4CCCC4=C3)=C2)C=C1	REAL300018088662	1	44	0.0	-84.69	367.21	8.58	-76.11
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)=C2)C=C1	REAL300018088663	1	39	0.0	-85.58	366.03	8.38	-77.20
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)=C2)C=C1	REAL300018088664	0	44	0.0	-88.04	385.07	9.79	-78.25
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088665	0	48	0.0	-98.44	399.96	11.72	-86.72
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)=C2)C=C1	REAL300018088666	0	56	0.0	-81.77	429.34	13.38	-68.39
CC(C)C1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088667	0	49	0.0	-77.93	382.34	10.84	-67.09
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=CN=C4O3)=C2)C=C1	REAL300018088668	0	42	0.0	-86.96	363.39	7.55	-79.41
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300018088669	0	50	0.0	-80.57	409.93	13.27	-67.30
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1N1C=NC=N1	REAL300018088670	0	49	0.0	-92.72	414.97	13.60	-79.12
CC1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088671	0	49	0.0	-79.62	371.10	10.44	-69.18
CCC1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088672	0	52	0.0	-79.66	389.63	11.09	-68.57
CC1(C)CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088673	0	52	0.0	-78.74	379.03	10.65	-68.09
CC(C)(C)C1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC1	REAL300018088674	0	58	0.0	-78.96	421.22	11.98	-66.98
CC1CC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CCN1C	REAL300018088675	1	48	0.0	-78.29	372.68	7.51	-70.78
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)=C2)C=C1	REAL300018088676	0	43	0.0	-87.50	375.04	10.66	-76.84
CC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C1CCCO1	REAL300018088677	0	44	0.0	-79.54	349.33	8.12	-71.42
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)=C2)C=C1	REAL300018088678	0	47	0.0	-88.29	405.04	10.60	-77.69
COCC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088679	0	47	0.0	-84.00	395.74	9.79	-74.21
CN(C)CC1=NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CS1	REAL300018088680	1	47	0.0	-78.44	403.29	6.75	-71.69
CC1=CC=C(CC[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088681	0	46	0.0	-82.84	383.59	11.53	-71.31
CCCCC(C)C(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088682	0	51	0.0	-78.33	391.71	10.98	-67.35
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OC	REAL300018088683	0	51	0.0	-88.65	414.18	9.89	-78.76
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C3CC3)=C2)C=C1	REAL300018088684	0	47	0.0	-81.50	383.69	12.07	-69.43
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CCC3=CC=C(F)C=C3F)=C2)C=C1	REAL300018088685	0	43	0.0	-88.59	374.05	10.95	-77.64
CC1=CC(C)=CC(CC[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088686	0	49	0.0	-83.02	405.00	12.18	-70.84
CC(CCC1=CSC=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088687	0	46	0.0	-80.43	387.62	11.14	-69.29
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)=C2)C=C1	REAL300018088688	0	44	0.0	-82.38	387.16	8.94	-73.44
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)=C2)C=C1	REAL300018088689	0	46	0.0	-90.09	396.86	8.31	-81.78
CC(CC1=CN(C)N=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088690	0	46	0.0	-78.40	378.77	9.14	-69.26
CN1N=CC2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CN=C21	REAL300018088691	0	45	0.0	-93.72	384.98	9.20	-84.52
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088692	0	49	0.0	-83.67	409.51	12.31	-71.36
COCC(CC1CCOCC1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088693	0	54	0.0	-78.59	419.00	8.27	-70.32
CN1C=C(CCC[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088694	0	46	0.0	-85.74	386.50	9.42	-76.32
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)=C2)C=C1	REAL300018088695	0	50	0.0	-76.42	412.51	12.76	-63.66
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)=N2	REAL300018088696	0	49	0.0	-79.46	410.02	10.42	-69.04
CCC1=CN=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)S1	REAL300018088697	1	42	0.0	-83.61	368.92	8.79	-74.82
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(F)N=C3)=C2)C=C1	REAL300018088698	0	39	0.0	-94.67	341.94	8.22	-86.45
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC=C3N3CCCCC3)=C2)C=C1	REAL300018088699	0	55	0.0	-80.78	434.53	12.12	-68.66
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4COCCC4C3)=C2)C=C1	REAL300018088700	0	51	0.0	-81.18	392.33	9.42	-71.76
CC1(C)CC2(CC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C2)CO1	REAL300018088701	0	51	0.0	-83.07	404.54	9.63	-73.44
CC1CC2(CC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C2)CO1	REAL300018088702	0	48	0.0	-82.33	384.42	8.96	-73.37
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCOC4=CC=CC=C4C3)=C2)C=C1	REAL300018088703	0	48	0.0	-82.80	385.30	10.31	-72.49
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCCC4=C(C=CS4)C3)=C2)C=C1	REAL300018088704	0	47	0.0	-83.32	384.52	11.26	-72.06
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=C21	REAL300018088705	0	46	0.0	-91.09	379.08	11.33	-79.76
COC1=CC=C(C)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088706	0	47	0.0	-81.73	385.06	9.99	-71.74
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NOC(C4CCC4)=C3)=C2)C=C1	REAL300018088707	1	46	0.0	-86.53	385.83	10.30	-76.23
CC1(C2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=NO2)CC1	REAL300018088708	1	46	0.0	-86.70	388.26	10.22	-76.48
CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088709	0	46	0.0	-81.74	374.16	11.35	-70.39
CC1=CC(F)=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088710	0	43	0.0	-84.70	368.55	10.80	-73.90
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)=C1C	REAL300018088711	0	49	0.0	-81.75	390.23	11.79	-69.96
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088712	0	52	0.0	-78.17	395.06	12.42	-65.75
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C4CCCCCN34)=C2)C=C1	REAL300018088713	0	50	0.0	-90.53	396.82	10.46	-80.07
COC1=CC=C2SC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC2=C1	REAL300018088714	0	47	0.0	-85.34	407.67	10.90	-74.44
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CON=C3C3CC3)=C2)C=C1	REAL300018088715	0	43	0.0	-89.29	368.77	9.67	-79.62
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)=C2)C=C1	REAL300018088716	0	46	0.0	-89.85	395.70	11.23	-78.62
CCN1CCC2=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=CC=C21	REAL300018088717	0	52	0.0	-84.01	413.12	10.20	-73.81
CC1(C)CC2(CO1)CCC([NH2+]CC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)CC2	REAL300018088718	0	57	0.0	-84.91	428.13	10.41	-74.50
CSC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1Cl	REAL300018088719	0	44	0.0	-91.12	395.90	11.53	-79.59
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1C1CC1	REAL300018088720	0	50	0.0	-82.80	407.76	12.69	-70.11
COC1=CC=CC2=C1CCCC([NH2+]CC1=CC=CC(N3C=CC(C(=O)[O-])=N3)=C1)C2	REAL300018088721	0	54	0.0	-85.35	419.89	11.47	-73.88
CCOC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=N1	REAL300018088722	0	46	0.0	-87.32	389.62	7.71	-79.61
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1C1CC1	REAL300018088723	0	50	0.0	-82.69	407.11	12.69	-70.00
CC(C)CC1CCCC1[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088724	0	52	0.0	-78.02	401.66	11.51	-66.51
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(C4CCC4)C3)=C2)C=C1	REAL300018088725	0	47	0.0	-79.49	377.40	11.08	-68.41
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)=C2)C=C1	REAL300018088726	0	50	0.0	-87.90	413.02	6.53	-81.37
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NOC(C4CC4)=C3)=C2)C=C1	REAL300018088727	1	43	0.0	-79.75	369.31	9.80	-69.95
CC1OC2=CC=C(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C=C2C1C	REAL300018088728	0	51	0.0	-86.17	414.07	11.17	-75.00
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OC(F)F	REAL300018088729	0	47	0.0	-81.55	400.01	10.39	-71.16
CC(C)C1=CC=C(O)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088730	0	50	0.0	-81.42	408.62	9.37	-72.05
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)NN=C1C(F)(F)F	REAL300018088731	0	43	0.0	-94.60	378.45	8.02	-86.58
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(CCC4)CC3)=C2)C=C1	REAL300018088732	0	50	0.0	-80.11	383.47	11.10	-69.01
CC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1O	REAL300018088733	0	44	0.0	-83.99	371.77	7.97	-76.02
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC(C4CC4)=CS3)=C2)C=C1	REAL300018088734	1	43	0.0	-79.99	376.32	9.28	-70.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(CC4CC4)N=N3)=C2)C=C1	REAL300018088735	1	46	0.0	-82.67	390.27	8.97	-73.70
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4CCOC4=C3)=C2)C=C1	REAL300018088736	0	45	0.0	-83.76	376.53	9.91	-73.85
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC4=C(CCCC4)N3)=C2)C=C1	REAL300018088737	1	47	0.0	-81.53	383.69	9.14	-72.39
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4COCCC4=C3)=C2)C=C1	REAL300018088738	0	48	0.0	-85.40	394.45	10.15	-75.25
CC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088739	0	43	0.0	-76.36	363.00	10.60	-65.76
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC=C3C3CCC3)=C2)C=C1	REAL300018088740	0	50	0.0	-82.74	400.11	12.55	-70.19
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2CCOCC2)=N1	REAL300018088741	0	54	0.0	-89.96	438.46	9.21	-80.75
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN=CC(C4=CC=CN=C4)=C3)=C2)C=C1	REAL300018088742	0	48	0.0	-91.52	404.96	9.91	-81.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(COCC4=CC=CC=C4)C3)=C2)C=C1	REAL300018088743	0	54	0.0	-84.91	442.89	12.09	-72.82
CSC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088744	0	44	0.0	-82.37	380.89	11.08	-71.29
CC(C)(C)N1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088745	0	49	0.0	-85.97	388.08	9.67	-76.30
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)=C2)C=C1	REAL300018088746	0	47	0.0	-86.10	394.70	12.13	-73.97
CC1(C)C2CC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CC21	REAL300018088747	0	47	0.0	-82.06	366.01	10.61	-71.45
CC(C)C1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N(C)N=C1	REAL300018088748	0	49	0.0	-88.41	402.89	9.56	-78.85
CCC([NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1)C(C)CC1=CC=CC=C1	REAL300018088749	0	55	0.0	-77.65	425.91	13.17	-64.48
CCN1C=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088750	1	43	0.0	-83.43	365.08	8.65	-74.78
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(CC4CC4)S3)=C2)C=C1	REAL300018088751	0	47	0.0	-82.41	405.87	12.32	-70.09
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)=C2)C=C1	REAL300018088752	0	48	0.0	-87.02	401.22	11.04	-75.98
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)=C2)C=C1	REAL300018088753	0	54	0.0	-83.53	435.64	14.09	-69.44
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)OC2=CC=C(F)C=C12	REAL300018088755	0	46	0.0	-89.75	395.38	11.29	-78.46
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088756	0	46	0.0	-81.83	394.80	12.21	-69.62
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088757	0	50	0.0	-92.23	420.75	11.19	-81.04
CCCN1C=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088758	1	46	0.0	-83.41	386.58	9.41	-74.00
CC(C)N1C=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088759	1	46	0.0	-83.06	383.77	9.17	-73.89
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088760	0	51	0.0	-85.00	412.08	10.56	-74.44
CCC(CC)C(C)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088761	0	48	0.0	-76.91	362.58	10.54	-66.37
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)=C2)C=C1	REAL300018088762	1	43	0.0	-88.50	382.96	9.14	-79.36
CN1C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=NC2=C1CCCC2	REAL300018088763	1	50	0.0	-89.83	403.46	10.74	-79.09
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)=N1	REAL300018088764	0	43	0.0	-92.48	377.51	8.85	-83.63
CC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088765	0	42	0.0	-78.19	357.31	8.86	-69.33
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CC=CC=C4C=N3)=C2)C=C1	REAL300018088766	0	45	0.0	-84.69	381.83	10.49	-74.20
COC1=NC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CC=C1C	REAL300018088767	0	46	0.0	-86.89	387.97	7.46	-79.43
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)=C2)C=C1	REAL300018088768	0	43	0.0	-79.95	379.27	10.99	-68.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3COCC4)=C2)C=C1	REAL300018088769	0	48	0.0	-85.74	387.46	10.06	-75.68
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088770	0	47	0.0	-80.02	407.46	10.88	-69.14
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)=C2)C=C1	REAL300018088771	0	47	0.0	-87.14	403.03	10.00	-77.14
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=C(CCCC4)O3)=C2)C=C1	REAL300018088772	0	47	0.0	-83.72	384.96	10.90	-72.82
CCC(C)N1N=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088773	0	49	0.0	-87.46	401.99	9.85	-77.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)=C2)C=C1	REAL300018088774	0	53	0.0	-82.79	425.34	11.11	-71.68
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CCCCC4C3)=C2)C=C1	REAL300018088775	0	50	0.0	-78.59	385.11	11.32	-67.27
COC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=CC=C1C(C)(C)C	REAL300018088776	0	56	0.0	-78.37	433.76	11.80	-66.57
CN1C=C(Br)N=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088777	1	40	0.0	-94.14	362.89	8.95	-85.19
COC1=CC(C)=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088778	0	46	0.0	-89.09	382.96	7.38	-81.71
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NC4=CC=CC=C4S3)=C2)C=C1	REAL300018088779	0	42	0.0	-86.29	372.40	9.52	-76.77
COC1=CC=CC(C2CC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C2)=C1	REAL300018088780	0	51	0.0	-84.98	414.02	11.16	-73.82
CC1=NOC(C2CC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)C2)=N1	REAL300018088781	0	45	0.0	-87.52	379.78	7.56	-79.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC(C4CCOCC4)C3)=C2)C=C1	REAL300018088782	0	51	0.0	-81.95	402.03	9.81	-72.14
CCCN1C=NC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088783	0	46	0.0	-87.23	379.00	10.96	-76.27
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)=C2)C=C1	REAL300018088784	0	47	0.0	-88.74	397.78	10.02	-78.72
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)=C2)C=C1	REAL300018088785	0	53	0.0	-82.10	431.79	13.59	-68.51
COC1=CC=C(CC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)=C1	REAL300018088786	0	53	0.0	-77.22	421.01	11.16	-66.06
CCC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=NN1CC	REAL300018088787	0	49	0.0	-81.25	400.10	9.98	-71.27
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C(F)(F)F)=CO1	REAL300018088788	0	43	0.0	-86.39	380.02	9.85	-76.54
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088789	0	46	0.0	-84.59	393.88	11.59	-73.00
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)=C2)C=C1	REAL300018088790	0	46	0.0	-87.72	403.61	10.84	-76.88
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088791	0	47	0.0	-82.23	400.97	7.78	-74.45
COC1=CC=C(CCC(C)[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C)=C1	REAL300018088792	0	56	0.0	-85.96	442.46	11.98	-73.98
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CCCCCC4C3)=C2)C=C1	REAL300018088793	0	53	0.0	-81.03	392.56	11.63	-69.40
CC1CCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)CC2=CC=CC=C21	REAL300018088794	0	53	0.0	-83.02	408.51	12.53	-70.49
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)=C2)C=C1	REAL300018088795	0	47	0.0	-85.23	406.24	12.48	-72.75
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)=C2)C=C1	REAL300018088796	0	46	0.0	-86.97	398.34	12.69	-74.28
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088797	0	47	0.0	-81.36	387.80	11.93	-69.43
COCC1=CC=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088798	0	47	0.0	-84.72	387.17	9.91	-74.81
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4CCOCC4=C3)=C2)C=C1	REAL300018088799	0	48	0.0	-85.24	394.44	10.15	-75.09
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)SC2=CC(F)=CC=C12	REAL300018088800	0	46	0.0	-89.11	401.22	12.20	-76.91
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)=C2)C=C1	REAL300018088801	0	46	0.0	-94.12	395.30	8.24	-85.88
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1OC	REAL300018088802	1	48	0.0	-78.40	406.04	9.39	-69.01
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC=CC3=CC=NC=C3)=C2)C=C1	REAL300018088803	0	43	0.0	-88.96	366.80	9.61	-79.35
CCN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2CC2)=N1	REAL300018088804	0	50	0.0	-87.67	417.09	10.92	-76.75
CCC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)N=C1	REAL300018088805	0	45	0.0	-84.16	378.57	9.65	-74.51
COC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1OCCO	REAL300018088806	0	52	0.0	-91.83	432.65	7.10	-84.73
CN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C(C2=CC=NN2C)=N1	REAL300018088807	0	50	0.0	-82.50	426.20	8.99	-73.51
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088808	0	48	0.0	-91.84	388.26	9.83	-82.01
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)=C2)C=C1	REAL300018088809	0	45	0.0	-91.14	381.68	10.55	-80.59
CC1=CC2=CC=CC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=C2O1	REAL300018088810	0	46	0.0	-84.43	389.96	11.22	-73.21
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC(F)=C3C(F)(F)F)=C2)C=C1	REAL300018088811	0	43	0.0	-88.10	374.47	11.19	-76.91
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CON=C3C3CCC3)=C2)C=C1	REAL300018088812	0	46	0.0	-90.35	385.44	10.15	-80.20
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)=C2)C=C1	REAL300018088813	0	43	0.0	-83.77	384.97	11.10	-72.67
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1F	REAL300018088814	0	50	0.0	-92.94	416.20	10.99	-81.95
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1	REAL300018088815	0	53	0.0	-91.34	428.83	11.15	-80.19
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=NN3CC(F)F)=C2)C=C1	REAL300018088816	0	43	0.0	-96.25	371.57	8.86	-87.39
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)=C2)C=C1	REAL300018088818	0	47	0.0	-89.01	405.92	11.35	-77.66
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(C4CCC4)C=C3)=C2)C=C1	REAL300018088819	1	47	0.0	-78.25	388.96	9.75	-68.50
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(CC(F)F)C=C3)=C2)C=C1	REAL300018088820	1	43	0.0	-88.09	376.93	8.96	-79.13
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)=C2)C=C1	REAL300018088821	1	44	0.0	-89.26	386.60	9.51	-79.75
CC1=CN(C)C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=N1	REAL300018088822	1	43	0.0	-89.64	362.32	9.03	-80.61
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CCCC(C4)C3)=C2)C=C1	REAL300018088823	0	50	0.0	-78.81	374.45	10.85	-67.96
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)=C2)C=C1	REAL300018088824	1	50	0.0	-83.04	406.44	10.41	-72.63
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4OC=CC4=C(F)C=C3)=C2)C=C1	REAL300018088825	0	43	0.0	-89.63	374.50	10.46	-79.17
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C4OC=CC4=CC(Cl)=C3)=C2)C=C1	REAL300018088826	0	43	0.0	-84.39	384.80	10.90	-73.49
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC=CC3=CC=CC=C3)=C2)C=C1	REAL300018088827	0	44	0.0	-82.90	371.72	11.37	-71.53
COC1=CC=C2SC(C[NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)=NC2=C1	REAL300018088828	0	46	0.0	-83.36	401.86	8.80	-74.56
CN1N=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1C1=CC=CO1	REAL300018088829	1	47	0.0	-82.79	402.36	9.39	-73.40
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)=C2)C=C1	REAL300018088830	1	43	0.0	-78.02	380.81	9.13	-68.89
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)=C2)C=C1	REAL300018088831	0	56	0.0	-82.12	442.53	13.88	-68.24
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088832	0	50	0.0	-87.04	408.48	10.44	-76.60
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088833	0	48	0.0	-81.79	400.09	10.72	-71.07
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)=C2)C=C1	REAL300018088834	0	48	0.0	-91.49	409.86	10.41	-81.08
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088835	0	47	0.0	-95.41	404.04	9.32	-86.09
CC(C)(C)N1CCCC([NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088836	0	54	0.0	-78.71	403.89	8.58	-70.13
CC(C)(C)[N@@H+]1CCCC(NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088836	1	54	0.0	-78.15	403.94	9.47	-68.68
CC(C)(C)[N@H+]1CCCC(NCC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C1	REAL300018088836	1	54	0.0	-69.03	401.36	10.09	-58.94
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)=C2)C=C1	REAL300018088837	0	53	0.0	-83.68	443.47	14.53	-69.15
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CC=N3)=C2)C=C1	REAL300018088838	0	49	0.0	-86.31	410.27	11.67	-74.64
CC1=CC=C(C2CCC([NH2+]CC3=CC=CC(N4C=CC(C(=O)[O-])=N4)=C3)CC2)C=C1	REAL300018088839	0	56	0.0	-83.04	438.22	13.58	-69.46
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088840	0	51	0.0	-73.65	418.45	9.44	-64.21
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(CF)C=C3)=C2)C=C1	REAL300018088841	0	43	0.0	-85.27	368.66	10.88	-74.39
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C4SC=CC4=C3)=C2)C=C1	REAL300018088842	0	43	0.0	-87.91	377.60	11.44	-76.47
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)=C2)C=C1	REAL300018088843	0	49	0.0	-88.81	410.09	11.73	-77.08
CC(CC1=CN(C)N=C1)[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088844	0	46	0.0	-78.40	378.77	9.14	-69.26
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CC4CC=CCC4C3)=C2)C=C1	REAL300018088845	0	48	0.0	-79.98	376.90	11.21	-68.77
CC1=CC=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1C(F)(F)F	REAL300018088846	0	46	0.0	-82.68	385.52	11.69	-70.99
C=CCN1C=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=N1	REAL300018088847	0	44	0.0	-87.74	377.83	9.28	-78.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC4=NNC=C4C=C3)=C2)C=C1	REAL300018088848	0	43	0.0	-85.82	366.93	8.78	-77.04
CCC(C)C1=CC=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=C1	REAL300018088849	0	52	0.0	-82.12	419.34	12.66	-69.46
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]C3CCC4(C3)CCOCC4)=C2)C=C1	REAL300018088850	0	51	0.0	-82.33	390.91	9.32	-73.01
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=CC4=C3CCCC4)=C2)C=C1	REAL300018088851	0	50	0.0	-83.50	396.02	12.43	-71.07
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088852	0	47	0.0	-88.70	401.17	11.96	-76.74
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)=C2)C=C1	REAL300018088853	0	46	0.0	-94.49	393.05	9.98	-84.51
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)C=CC2=CC=CC=C21	REAL300018088854	0	49	0.0	-85.89	398.11	12.76	-73.13
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088855	0	58	0.0	-86.55	465.93	11.72	-74.83
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=CC=CC(N2C=CC(C(=O)[O-])=N2)=C1	REAL300018088856	0	48	0.0	-79.16	401.55	9.48	-69.68
O=C([O-])C1=NN(C2=CC=CC(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)=C2)C=C1	REAL300018088857	0	53	0.0	-85.72	429.69	7.20	-78.52
CCCN1N=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=C1C	REAL300018088858	0	49	0.0	-87.27	405.35	9.92	-77.35
CC1=CC(C[NH2+]CC2=CC=CC(N3C=CC(C(=O)[O-])=N3)=C2)=CN=C1N1C=CC=N1	REAL300018088859	0	49	0.0	-93.99	412.24	11.39	-82.60
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COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CN=C2N(C)C)C1	REAL300018088886	0	47	0.0	-51.01	352.03	7.68	-43.33
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CN=C2N(C)C)C1	REAL300018088886	1	47	0.0	-49.95	352.17	8.23	-41.72
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COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C3CCCC3)C=C2)C1	REAL300018088889	1	53	0.0	-49.56	385.00	12.22	-37.34
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC(F)=CC=C2OC)C1	REAL300018088890	0	44	0.0	-50.55	337.75	7.90	-42.65
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(F)=CC=C2OC)C1	REAL300018088890	1	44	0.0	-41.41	331.69	8.78	-32.63
COCC1(C(=O)[O-])CCC[N@H+](CC2=CN(CC(F)F)N=C2)C1	REAL300018088891	0	43	0.0	-49.77	340.01	7.41	-42.36
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(CC(F)F)N=C2)C1	REAL300018088891	1	43	0.0	-49.65	339.70	7.34	-42.31
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2C2=CC=NN2C)C1	REAL300018088892	0	50	0.0	-52.50	375.77	9.31	-43.19
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2C2=CC=NN2C)C1	REAL300018088892	1	50	0.0	-52.48	379.15	9.37	-43.11
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(C3CCC3)C=C2)C1	REAL300018088893	0	50	0.0	-43.19	367.32	11.74	-31.45
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C3CCC3)C=C2)C1	REAL300018088893	1	50	0.0	-44.92	368.62	10.98	-33.94
COCC1(C(=O)[O-])CCC[N@H+](CC2=C(Cl)C=CC=C2N2CCOCC2)C1	REAL300018088894	0	53	0.0	-35.85	397.39	8.13	-27.72
COCC1(C(=O)[O-])CCC[N@@H+](CC2=C(Cl)C=CC=C2N2CCOCC2)C1	REAL300018088894	1	53	0.0	-34.33	397.69	8.83	-25.50
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2N2CCOC(C)C2)C1	REAL300018088895	0	56	0.0	-41.23	402.89	9.38	-31.85
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2N2CCOC(C)C2)C1	REAL300018088895	1	56	0.0	-44.22	410.16	8.84	-35.38
COCC1(C(=O)[O-])CCC[N@H+](CC2=C(C)N=C3SC=C(C4CC4)N32)C1	REAL300018088896	0	50	0.0	-51.06	383.57	10.34	-40.72
COCC1(C(=O)[O-])CCC[N@@H+](CC2=C(C)N=C3SC=C(C4CC4)N32)C1	REAL300018088896	1	50	0.0	-50.13	378.35	10.90	-39.23
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C3CCCC3=N2)C1	REAL300018088897	0	46	0.0	-38.94	342.73	9.57	-29.37
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C3CCCC3=N2)C1	REAL300018088897	1	46	0.0	-49.16	342.70	9.17	-39.99
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC=C2C2=CC=CC=C2C)C1	REAL300018088898	0	53	0.0	-48.20	392.33	12.31	-35.89
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC=C2C2=CC=CC=C2C)C1	REAL300018088898	1	53	0.0	-49.43	389.42	12.32	-37.11
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COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=NN2C2CCCC2)C1	REAL300018088899	1	50	0.0	-48.24	370.99	8.89	-39.35
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(C3CC3)C=C2)C1	REAL300018088900	0	47	0.0	-50.02	350.08	11.11	-38.91
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C3CC3)C=C2)C1	REAL300018088900	1	47	0.0	-45.45	352.08	10.50	-34.95
COCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C3=CC=CC(F)=C3)N=C2C)C1	REAL300018088901	0	50	0.0	-50.30	389.57	10.34	-39.96
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COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C(F)(F)F)C(C)=C2)C1	REAL300018088902	1	46	0.0	-49.98	357.28	9.90	-40.08
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COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C3OCCOC3=C2)C1	REAL300018088907	1	46	0.0	-53.27	345.31	8.15	-45.12
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=CC(Br)=C2)C1	REAL300018088908	0	40	0.0	-49.28	324.47	9.06	-40.22
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=CC(Br)=C2)C1	REAL300018088908	1	40	0.0	-44.94	324.17	9.01	-35.93
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COCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(CC3=CC=C(F)C=C3)N=C2)C1	REAL300018088969	1	50	0.0	-48.63	394.17	10.08	-38.55
COCC1(C(=O)[O-])CCC[N@H+](CCC(C)C2=CC=CC=C2)C1	REAL300018088970	0	49	0.0	-46.11	361.45	10.45	-35.66
COCC1(C(=O)[O-])CCC[N@@H+](CCC(C)C2=CC=CC=C2)C1	REAL300018088970	1	49	0.0	-54.31	359.16	11.00	-43.31
COCC1(C(=O)[O-])CCC[N@H+](CCCC2=C(F)C=CC=C2Cl)C1	REAL300018088971	0	46	0.0	-53.50	365.52	10.50	-43.00
COCC1(C(=O)[O-])CCC[N@@H+](CCCC2=C(F)C=CC=C2Cl)C1	REAL300018088971	1	46	0.0	-52.70	365.08	10.50	-42.20
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC3=CC=C(C)N=C3C=C2)C1	REAL300018088972	0	48	0.0	-53.94	365.76	9.43	-44.51
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC3=CC=C(C)N=C3C=C2)C1	REAL300018088972	1	48	0.0	-53.91	365.51	9.37	-44.54
COCC1(C(=O)[O-])CCC[N@H+](CC(C)C2=CC=CC(Cl)=C2)C1	REAL300018088973	0	46	0.0	-56.19	355.53	10.31	-45.88
COCC1(C(=O)[O-])CCC[N@@H+](CC(C)C2=CC=CC(Cl)=C2)C1	REAL300018088973	1	46	0.0	-55.40	355.11	10.29	-45.11
COCC1(C(=O)[O-])CCC[N@H+](CC(C)C2=CC=C(F)C=C2)C1	REAL300018088974	0	46	0.0	-52.45	347.66	9.83	-42.62
COCC1(C(=O)[O-])CCC[N@@H+](CC(C)C2=CC=C(F)C=C2)C1	REAL300018088974	1	46	0.0	-57.09	343.93	10.43	-46.66
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Cl)C=C2F)C1	REAL300018088975	0	40	0.0	-53.87	325.54	9.02	-44.85
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Cl)C=C2F)C1	REAL300018088975	1	40	0.0	-41.85	320.90	8.80	-33.05
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Br)O2)C1	REAL300018088976	0	37	0.0	-52.36	306.23	7.42	-44.94
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Br)O2)C1	REAL300018088976	1	37	0.0	-53.07	304.74	7.32	-45.75
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(C(F)(F)F)C=C2C)C1	REAL300018088977	0	46	0.0	-54.96	357.26	10.12	-44.84
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C(F)(F)F)C=C2C)C1	REAL300018088977	1	46	0.0	-46.80	355.92	10.76	-36.04
COCC1(C(=O)[O-])CCC[N@H+](CC2=NC3=CC=C(OC)C=C3S2)C1	REAL300018088978	0	46	0.0	-49.63	364.90	7.28	-42.35
COCC1(C(=O)[O-])CCC[N@@H+](CC2=NC3=CC=C(OC)C=C3S2)C1	REAL300018088978	1	46	0.0	-46.58	365.97	7.49	-39.09
CCC1=CC=CC(Cl)=C1C[N@@H+]1CCCC(COC)(C(=O)[O-])C1	REAL300018088979	0	46	0.0	-43.84	343.58	9.98	-33.86
CCC1=CC=CC(Cl)=C1C[N@H+]1CCCC(COC)(C(=O)[O-])C1	REAL300018088979	1	46	0.0	-34.75	345.98	10.59	-24.16
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC(Br)=C(Cl)S2)C1	REAL300018088980	1	37	0.0	-52.48	328.71	9.36	-43.12
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(Br)=C(Cl)S2)C1	REAL300018088980	1	37	0.0	-53.78	329.93	8.75	-45.03
COCC1(C(=O)[O-])CCC[N@H+](CC2=CN(C(C)(C)C)N=N2)C1	REAL300018088981	1	48	0.0	-41.76	359.56	7.79	-33.97
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CN(C(C)(C)C)N=N2)C1	REAL300018088981	1	48	0.0	-55.35	359.56	6.82	-48.53
CCN(C)C1=CC=C(C[N@@H+]2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300018088982	0	50	0.0	-46.79	373.33	9.10	-37.69
CCN(C)C1=CC=C(C[N@H+]2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300018088982	1	50	0.0	-51.91	371.34	9.73	-42.18
COCCN(C)C1=CC=C(C[N@@H+]2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300018088983	0	54	0.0	-47.82	404.70	8.29	-39.53
COCCN(C)C1=CC=C(C[N@H+]2CCCC(COC)(C(=O)[O-])C2)C=N1	REAL300018088983	1	54	0.0	-52.36	402.71	8.92	-43.44
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(N(C)C(C)C)N=C2)C1	REAL300018088984	0	53	0.0	-51.73	387.62	10.21	-41.52
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(N(C)C(C)C)N=C2)C1	REAL300018088984	1	53	0.0	-46.64	389.55	9.63	-37.01
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OCC3CC3)C=C2)C1	REAL300018088985	0	51	0.0	-44.92	384.55	10.96	-33.96
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OCC3CC3)C=C2)C1	REAL300018088985	1	51	0.0	-46.92	385.85	10.20	-36.72
COCC1(C(=O)[O-])CCC[N@H+](CC2=NC=CN2C2=CC=CC=C2)C1	REAL300018088986	0	47	0.0	-45.76	356.98	10.54	-35.22
COCC1(C(=O)[O-])CCC[N@@H+](CC2=NC=CN2C2=CC=CC=C2)C1	REAL300018088986	1	47	0.0	-45.98	360.95	10.08	-35.90
COCC1(C(=O)[O-])CCC[N@H+](CCC(C)CCC=C(C)C)C1	REAL300018088987	0	55	0.0	-43.88	396.52	10.97	-32.91
COCC1(C(=O)[O-])CCC[N@@H+](CCC(C)CCC=C(C)C)C1	REAL300018088987	1	55	0.0	-52.54	394.30	11.53	-41.01
COCC1(C(=O)[O-])CCC[N@H+](CC2=NNC=C2C2=CC=CC=C2)C1	REAL300018088988	0	47	0.0	-47.25	355.97	8.73	-38.52
COCC1(C(=O)[O-])CCC[N@@H+](CC2=NNC=C2C2=CC=CC=C2)C1	REAL300018088988	1	47	0.0	-48.04	360.57	8.48	-39.56
COCC1(C(=O)[O-])CCC[N@H+](CC2=C(C3=CC=CC=C3)C=NN2)C1	REAL300018088988	1	47	0.0	-44.06	360.22	9.40	-34.66
COCC1(C(=O)[O-])CCC[N@@H+](CC2=C(C3=CC=CC=C3)C=NN2)C1	REAL300018088988	1	47	0.0	-47.95	362.08	9.13	-38.82
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Cl)C(Br)=C2)C1	REAL300018088989	0	40	0.0	-50.09	337.76	10.22	-39.87
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Cl)C(Br)=C2)C1	REAL300018088989	1	40	0.0	-52.22	339.00	9.46	-42.76
COCC1(C(=O)[O-])CCC[N@H+](CC2=NN(C(F)F)C=C2)C1	REAL300018088992	1	40	0.0	-45.10	320.50	6.55	-38.55
COCC1(C(=O)[O-])CCC[N@@H+](CC2=NN(C(F)F)C=C2)C1	REAL300018088992	1	40	0.0	-52.73	318.42	6.95	-45.78
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Br)C3=CC=CN=C23)C1	REAL300018088993	0	45	0.0	-51.86	361.56	9.51	-42.35
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Br)C3=CC=CN=C23)C1	REAL300018088993	1	45	0.0	-49.56	355.54	9.90	-39.66
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC(O)=C(OC)C=C2Br)C1	REAL300018088994	0	45	0.0	-52.42	359.70	6.16	-46.26
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC(O)=C(OC)C=C2Br)C1	REAL300018088994	1	45	0.0	-50.28	359.04	6.20	-44.08
COCC1(C(=O)[O-])CCC[N@H+](CC2CCOC(C(C)C)C2)C1	REAL300018088995	0	53	0.0	-55.27	372.63	8.64	-46.63
COCC1(C(=O)[O-])CCC[N@@H+](CC2CCOC(C(C)C)C2)C1	REAL300018088995	1	53	0.0	-54.53	372.22	8.63	-45.90
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(Cl)C(C)=C2)C1	REAL300018088996	0	43	0.0	-47.76	338.63	9.56	-38.20
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(Cl)C(C)=C2)C1	REAL300018088996	1	43	0.0	-47.87	338.32	9.48	-38.39
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300018088997	0	48	0.0	-47.02	371.10	10.34	-36.68
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(OC3=CC=CC=C3)O2)C1	REAL300018088997	1	48	0.0	-51.97	370.26	10.21	-41.76
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(C3=CC=CC=C3)C=C2OC)C1	REAL300018088998	0	54	0.0	-48.37	406.47	11.30	-37.07
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(C3=CC=CC=C3)C=C2OC)C1	REAL300018088998	1	54	0.0	-42.04	400.71	11.37	-30.67
COCC1(C(=O)[O-])CCC[N@H+](CC2=CC=C(SC(F)F)C=C2)C1	REAL300018088999	0	44	0.0	-45.60	351.40	10.42	-35.18
COCC1(C(=O)[O-])CCC[N@@H+](CC2=CC=C(SC(F)F)C=C2)C1	REAL300018088999	1	44	0.0	-50.15	352.63	9.65	-40.50
COCC1(C(=O)[O-])CCC[N@H+](CC2=C(C)C=C(OC)N=C2C)C1	REAL300018089000	0	49	0.0	-53.68	357.10	5.94	-47.74
COCC1(C(=O)[O-])CCC[N@@H+](CC2=C(C)C=C(OC)N=C2C)C1	REAL300018089000	1	49	0.0	-51.76	357.28	6.57	-45.19
CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018090498	0	45	0.0	-43.92	356.33	11.32	-32.60
CC([NH2+]C1CCCCC1(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090499	0	51	0.0	-30.95	354.20	10.91	-20.04
CC([NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090501	0	44	0.0	-50.81	370.84	11.79	-39.02
CC(C)=CCCC(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090502	0	51	0.0	-35.22	369.74	11.51	-23.71
CC([NH2+]C1CC(C)(C)CC(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090503	0	57	0.0	-37.77	399.36	11.85	-25.92
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090504	0	55	0.0	-42.73	419.34	12.78	-29.95
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1OC	REAL300018090505	0	50	0.0	-43.70	400.77	10.37	-33.33
CC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090506	0	49	0.0	-45.35	401.57	13.33	-32.02
CC([NH2+]CC1=CC2=CC=CC=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090507	0	45	0.0	-36.07	363.50	12.13	-23.94
CC(C)OC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090508	0	52	0.0	-38.92	390.00	11.35	-27.57
CCCCCCCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090509	0	64	0.0	-39.51	479.57	14.65	-24.86
CC(C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018090510	0	63	0.0	-52.41	458.07	14.83	-37.58
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1F	REAL300018090511	0	45	0.0	-39.81	352.84	11.29	-28.52
CC([NH2+]C1CC(C)CCC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090512	0	51	0.0	-34.33	356.22	11.03	-23.30
CC([NH2+]CC1=C2NC=CC2=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090513	0	46	0.0	-37.55	357.47	10.59	-26.96
CC([NH2+]CC1=CSC([N+](=O)[O-])=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090514	0	41	0.0	-51.85	349.64	10.41	-41.44
CC([NH2+]CC1=CC=CC=C1N1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090515	0	55	0.0	-41.04	414.16	10.17	-30.87
CC([NH2+]C1CC(C)CC(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090516	0	51	0.0	-50.44	359.19	10.81	-39.63
CC(C)CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090517	0	54	0.0	-42.66	411.03	13.28	-29.38
CC1=CC=C(C2=CC=CC(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])=C2)C=C1	REAL300018090518	0	55	0.0	-45.11	425.21	14.69	-30.42
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1	REAL300018090519	0	48	0.0	-37.19	364.82	11.85	-25.34
COC1=CC=C(Br)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090520	0	46	0.0	-38.04	379.14	10.58	-27.46
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018090521	0	48	0.0	-53.39	385.12	11.34	-42.05
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090522	0	42	0.0	-39.87	361.77	11.53	-28.34
CC1=CC=CC(C)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090523	0	48	0.0	-41.50	362.98	11.66	-29.84
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090524	0	55	0.0	-39.70	418.06	14.61	-25.09
CC([NH2+]CC1=CC=CC(OC(F)F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090525	0	46	0.0	-42.70	361.27	10.11	-32.59
CCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OCC	REAL300018090526	0	56	0.0	-41.01	428.57	11.63	-29.38
CC(C)C1CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090527	0	54	0.0	-32.03	370.09	11.82	-20.21
CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090528	0	45	0.0	-51.20	386.14	12.12	-39.08
CC([NH2+]CC1=CC=C(F)C=C1Br)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090529	0	42	0.0	-46.53	356.94	11.33	-35.20
CC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090530	0	45	0.0	-49.91	369.20	9.71	-40.20
CC([NH2+]CC1=CC=NC2=CC=CC=C12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090531	0	47	0.0	-48.30	370.68	10.99	-37.31
CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090532	0	46	0.0	-42.38	368.01	10.32	-32.06
CC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090533	0	48	0.0	-49.33	381.40	8.03	-41.30
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090534	0	56	0.0	-46.64	438.04	13.66	-32.98
CC(CCOCC1=CC=CC=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090535	0	55	0.0	-40.91	419.96	11.99	-28.92
CC([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090536	0	49	0.0	-44.16	394.53	13.01	-31.15
CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090537	0	52	0.0	-40.06	411.65	14.44	-25.62
CC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090538	0	52	0.0	-45.45	420.54	14.53	-30.92
CC(C)CCCC(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090539	0	53	0.0	-49.52	383.19	11.62	-37.90
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C2=CC=CC=C12	REAL300018090540	0	52	0.0	-39.90	395.43	12.08	-27.82
CCC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090541	0	45	0.0	-35.15	355.59	11.20	-23.95
CC([NH2+]CC1=NC2=CC=CC=C2N1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090542	0	48	0.0	-52.86	376.01	10.95	-41.91
CC([NH2+]CC1=CC=C2OCCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090543	0	47	0.0	-45.96	370.14	10.55	-35.41
CC([NH2+]CC1=CSC(Br)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090544	0	39	0.0	-45.81	341.25	10.28	-35.53
CC([NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090545	0	55	0.0	-39.53	430.84	12.17	-27.36
CC([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090546	0	55	0.0	-37.43	430.80	12.16	-25.27
CC([NH2+]CC1=CC=C(N2CCCC2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090547	0	53	0.0	-39.43	400.04	10.50	-28.93
CC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090548	0	50	0.0	-49.61	399.31	7.14	-42.47
CC([NH2+]CC1=C2C=CNC2=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090549	0	46	0.0	-42.89	365.42	10.73	-32.16
CC([NH2+]CC1=CC=C2C=CNC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090550	0	46	0.0	-45.12	360.96	10.63	-34.49
CC1=NN(C)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090551	0	45	0.0	-48.84	352.15	8.75	-40.09
CC(CC1=CC=CS1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090552	0	45	0.0	-41.30	353.74	11.00	-30.30
CC([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090553	0	45	0.0	-53.39	373.80	9.80	-43.59
CC1=CC(F)=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090554	0	45	0.0	-44.45	355.43	11.40	-33.05
CC([NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090555	0	56	0.0	-40.69	412.62	12.35	-28.34
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090556	0	57	0.0	-41.92	409.99	13.03	-28.89
CC([NH2+]CC1=CC=CC=C1N(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090557	0	50	0.0	-34.57	378.68	10.60	-23.97
CC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090558	0	51	0.0	-47.80	398.83	12.25	-35.55
CC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090559	0	51	0.0	-47.28	399.01	12.26	-35.02
CC([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090560	1	59	0.0	-52.06	434.32	9.17	-42.89
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090561	0	58	0.0	-42.00	438.46	8.25	-33.75
CC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090562	0	51	0.0	-56.78	404.38	8.87	-47.91
CC([NH2+]C1CCN(C2=CN=CC=N2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090563	0	52	0.0	-44.80	389.47	8.41	-36.39
CC([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090564	0	56	0.0	-40.78	415.95	9.51	-31.27
CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090565	0	49	0.0	-45.85	387.24	11.80	-34.05
CC1=NNC(C)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090566	0	45	0.0	-41.67	342.47	8.06	-33.61
CC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090567	0	49	0.0	-45.34	397.56	12.26	-33.08
CC([NH2+]CC1=CN(C(C)(C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090568	0	51	0.0	-38.69	391.07	10.34	-28.35
CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090569	0	49	0.0	-41.03	391.65	11.19	-29.84
CC([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090571	0	46	0.0	-43.74	388.87	10.87	-32.87
CC([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090572	0	49	0.0	-41.66	418.81	14.00	-27.66
CC([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090573	0	52	0.0	-46.94	416.52	9.26	-37.68
COC1=CC=CC(C2=NNC=C2C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090574	0	53	0.0	-48.28	419.37	9.85	-38.43
CC([NH2+]CC1=CN=C(N2CCCC2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090575	0	52	0.0	-50.89	398.15	10.56	-40.33
CC([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090576	0	55	0.0	-48.08	435.99	12.11	-35.97
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090577	0	55	0.0	-41.60	430.14	12.18	-29.42
CC(C)C1=NN(C)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090579	0	51	0.0	-46.59	399.45	10.35	-36.24
COCCOC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090580	0	53	0.0	-46.77	414.58	10.10	-36.67
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300018090581	0	46	0.0	-48.95	375.12	10.46	-38.49
CC([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090582	0	47	0.0	-37.95	382.26	9.45	-28.50
CC([NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090583	0	50	0.0	-54.00	398.52	10.43	-43.57
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090584	0	54	0.0	-51.30	410.97	12.18	-39.12
COC1=NC=C(Br)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090585	0	45	0.0	-40.07	369.06	7.90	-32.17
COC1=NC=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090586	0	45	0.0	-46.56	360.03	7.49	-39.07
CC([NH2+]CC1=CC=C(Br)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090587	0	41	0.0	-36.32	338.29	9.29	-27.03
CC([NH2+]CC1=CN=C(N2CCOCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090588	0	51	0.0	-39.88	399.80	7.90	-31.98
CC([NH2+]CC1=CC=CC2=NC=CC=C12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090589	0	47	0.0	-47.86	370.35	10.97	-36.89
CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090590	0	49	0.0	-42.87	392.93	11.22	-31.65
CC1=NC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090591	0	41	0.0	-39.51	328.70	8.47	-31.04
CC([NH2+]CC1=CC=CC2=C1OCCO2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090592	0	48	0.0	-45.14	377.16	9.93	-35.21
CC([NH2+]CC1=CC=CC2=C1OCCCO2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090593	0	51	0.0	-43.98	394.07	10.74	-33.24
CC([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090594	0	49	0.0	-39.68	386.36	12.88	-26.80
CC([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090595	0	49	0.0	-42.13	386.03	12.78	-29.35
CC([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090596	0	50	0.0	-45.67	389.89	11.79	-33.88
CC([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090597	0	53	0.0	-45.59	398.86	8.88	-36.71
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090598	0	54	0.0	-43.76	415.45	12.67	-31.09
CCCOC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090599	0	52	0.0	-45.02	402.47	11.63	-33.39
CC(CN1C=NC=N1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090600	0	44	0.0	-50.47	334.13	10.84	-39.63
C#CCCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090601	0	51	0.0	-46.34	408.47	12.14	-34.20
CC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090602	0	49	0.0	-42.38	400.29	13.29	-29.09
CC([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090603	0	49	0.0	-39.68	402.81	13.37	-26.31
CC1=C2C=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])C=NC2=NN1	REAL300018090604	0	47	0.0	-52.92	377.32	9.23	-43.69
CC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090605	0	56	0.0	-44.73	424.32	12.82	-31.91
CCC1=NC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090606	0	44	0.0	-39.29	350.18	9.22	-30.07
CC([NH2+]CC1=CC=CC=C1N1C=NC=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090607	0	48	0.0	-37.72	365.77	13.42	-24.30
CC([NH2+]CC1=CN(C)N=C1C1=CC=CN=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090608	0	51	0.0	-43.11	408.48	10.07	-33.04
CC([NH2+]CC1=CN(C)N=C1C1=CC=NC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090609	0	51	0.0	-46.58	408.72	10.13	-36.45
CC([NH2+]CC1=CN=C2C=CC=CN12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090610	0	45	0.0	-45.41	352.96	11.02	-34.39
CC([NH2+]CC1=CN=C(N(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090611	0	46	0.0	-38.58	367.73	9.51	-29.07
CC(C)OC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090612	0	52	0.0	-44.45	398.87	11.46	-32.99
CC1=CC=C(C2=NC(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])=CS2)C=C1	REAL300018090613	0	51	0.0	-35.79	408.25	11.99	-23.80
CC(C)C1=NC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300018090614	0	47	0.0	-39.28	377.37	9.64	-29.64
CC([NH2+]CC1=CSC(C2CC2)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090615	0	45	0.0	-39.59	366.05	9.83	-29.76
CC([NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090616	0	52	0.0	-37.71	418.44	10.83	-26.88
CCC1=NC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300018090617	0	44	0.0	-45.03	362.36	9.17	-35.86
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090618	0	51	0.0	-42.04	393.84	12.79	-29.25
CC1=CC=CC(CCC(C)[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090619	0	54	0.0	-40.62	408.84	13.39	-27.23
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090620	0	54	0.0	-42.11	426.49	13.74	-28.37
CC1=CC=C(CCC(C)[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090621	0	54	0.0	-42.07	412.32	13.48	-28.59
CC([NH2+]C1CCC(F)(F)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090622	0	45	0.0	-36.78	330.49	9.99	-26.79
CC([NH2+]C1CCN(C(C)C2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090623	0	57	0.0	-34.90	414.41	11.03	-23.87
CC([NH2+]C1CCN(CC2CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090624	1	54	0.0	-42.79	389.54	9.30	-33.49
CC([NH2+]CC1=CSC(C(C)(C)C)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090625	0	50	0.0	-39.09	396.30	10.14	-28.95
CC([NH2+]CC1=CSC(C2=CSC=C2)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090626	0	45	0.0	-35.53	377.88	10.25	-25.28
CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090627	0	49	0.0	-42.28	408.50	13.56	-28.72
CC([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090628	0	54	0.0	-36.59	404.77	11.18	-25.41
CC([NH2+]CC1=CC2=NC=CN=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090629	0	46	0.0	-44.01	358.05	8.93	-35.08
CC([NH2+]CC1=CC=CC=C1OC1CCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090630	0	56	0.0	-41.74	427.97	12.99	-28.75
CC([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090631	0	45	0.0	-37.11	365.70	11.53	-25.58
CC([NH2+]CC1=CN=C(C(C)(C)C)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090632	0	50	0.0	-38.93	388.84	10.30	-28.63
CC(C)CN1CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090633	1	56	0.0	-39.38	405.07	9.91	-29.47
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C(C)S1	REAL300018090634	0	45	0.0	-35.02	354.88	11.10	-23.92
CC1=CC=C(C2=CC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])S2)C=C1	REAL300018090635	0	52	0.0	-36.15	415.35	14.05	-22.10
CC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090636	0	48	0.0	-47.70	400.35	11.03	-36.67
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090637	0	46	0.0	-40.91	388.44	11.02	-29.89
C#CCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090638	0	48	0.0	-48.32	386.98	11.37	-36.95
CCOC1=C(OC)C=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300018090639	0	57	0.0	-50.24	448.00	10.78	-39.46
CC([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090640	0	56	0.0	-42.49	417.73	9.35	-33.14
CC([NH2+]C1CCN(C(C)(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090641	1	56	0.0	-32.23	383.57	9.00	-23.23
COCCCOC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090642	0	56	0.0	-42.14	428.52	10.62	-31.52
COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1SC	REAL300018090643	0	50	0.0	-48.18	398.52	10.95	-37.23
CCC(C)OC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300018090644	0	59	0.0	-42.04	441.28	12.06	-29.98
C=C(C)COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300018090645	0	57	0.0	-41.87	439.03	12.07	-29.80
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OCCC(C)C	REAL300018090646	0	62	0.0	-40.82	467.28	12.81	-28.01
CC([NH2+]C1CCN(CCN2CCOCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090647	0	63	0.0	-40.37	451.23	6.45	-33.92
CCOCC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC	REAL300018090648	0	56	0.0	-41.56	437.83	10.92	-30.64
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090649	0	49	0.0	-48.63	393.65	10.64	-37.99
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090650	0	51	0.0	-45.82	412.45	11.68	-34.14
CCN1C=CN=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090651	0	45	0.0	-40.87	351.33	9.85	-31.02
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090652	0	52	0.0	-44.57	419.42	9.04	-35.53
CCCC(CC1=CC=CC=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090653	0	54	0.0	-37.88	403.96	13.29	-24.59
CC([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090654	0	48	0.0	-40.68	374.91	10.34	-30.34
CC([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090655	0	48	0.0	-47.59	392.75	11.37	-36.22
CCN1N=C(C)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300018090656	0	51	0.0	-46.80	393.31	10.25	-36.55
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090657	0	54	0.0	-45.62	429.64	13.81	-31.81
C=CCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300018090658	0	50	0.0	-44.04	402.30	11.89	-32.15
CC([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090659	0	48	0.0	-44.86	399.27	11.74	-33.12
COCCC(CC1=CC=CC(F)=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090660	0	55	0.0	-47.34	416.12	11.31	-36.03
CC(C)CCC1CCCC1[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090661	0	57	0.0	-36.08	401.56	13.03	-23.05
CCCCC1CCCC1[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090662	0	54	0.0	-38.17	388.17	12.59	-25.58
COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018090663	0	54	0.0	-40.01	412.56	10.46	-29.55
CC([NH2+]CC1=NN(C)C2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090664	0	48	0.0	-47.86	379.55	10.52	-37.34
CC([NH2+]CC1=C2C=CC=CC2=NN1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090665	0	45	0.0	-43.49	353.00	9.19	-34.30
CC([NH2+]CC1=NNC2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090665	1	45	0.0	-42.80	356.68	9.24	-33.56
CC([NH2+]CC1=CC=C(N(C)C)C(F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090666	0	50	0.0	-43.96	382.91	10.07	-33.89
CC([NH2+]CC1=NC=CN1CC(F)(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090667	0	45	0.0	-35.80	359.20	10.01	-25.79
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090669	0	57	0.0	-38.08	425.21	14.36	-23.72
CC([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090670	0	53	0.0	-46.38	407.02	11.86	-34.52
CC1=NSC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090671	0	41	0.0	-43.67	340.79	9.14	-34.53
CC([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090672	0	48	0.0	-43.30	386.26	9.03	-34.27
CC([NH2+]CC1=CSC(C2=CC=CS2)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090673	0	45	0.0	-35.79	378.48	10.35	-25.44
CC(CC1=CSC=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090674	0	45	0.0	-36.22	345.46	10.73	-25.49
CC([NH2+]CC1CCCCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090675	0	54	0.0	-51.28	368.55	11.64	-39.64
CC1=CSC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300018090676	0	41	0.0	-44.90	336.17	8.33	-36.57
CC1=CC=CC(C2=NNC=C2C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090677	0	52	0.0	-44.86	411.27	11.22	-33.64
COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018090678	0	49	0.0	-47.57	397.84	10.90	-36.67
CC([NH2+]CC1=CC=C(Br)C=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090679	0	42	0.0	-39.93	360.12	11.65	-28.28
CC(CSC(C)(C)C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090680	0	51	0.0	-45.88	381.44	11.22	-34.66
CC([NH2+]CC1=CN=C(N(C)C)N1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090681	0	50	0.0	-43.69	380.62	9.58	-34.11
CC([NH2+]CC1=NC(C2=CC=CC=C2)=CN1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090682	0	49	0.0	-45.70	388.52	10.91	-34.79
CC(C)COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090683	0	55	0.0	-45.56	422.79	12.32	-33.24
COCCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090684	0	53	0.0	-48.46	414.82	10.09	-38.37
COCC(CC(C)C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090685	0	51	0.0	-49.64	372.60	9.19	-40.45
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090686	0	51	0.0	-35.55	396.97	13.71	-21.84
CC([NH2+]CC1CCCC(C)(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090687	0	54	0.0	-35.12	375.71	11.71	-23.41
CC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090688	0	46	0.0	-43.84	377.29	10.65	-33.19
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090689	0	53	0.0	-41.59	401.51	11.74	-29.85
CC([NH2+]CC1=CC=C2CCCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090690	0	49	0.0	-37.59	367.55	12.44	-25.15
CC1=CC=CC=C1CC(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090691	0	51	0.0	-44.11	379.43	12.33	-31.78
CC1=CC=CC(CC(C)[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090692	0	51	0.0	-44.05	386.81	12.63	-31.42
COC1=CC2=C(C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])OCO2	REAL300018090693	0	49	0.0	-45.19	388.41	8.73	-36.46
COC1=CC(Cl)=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300018090694	0	50	0.0	-41.27	404.79	10.40	-30.87
COC1=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])SC=C1	REAL300018090695	0	43	0.0	-34.88	346.24	8.99	-25.89
CC(C)COC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090696	0	55	0.0	-39.98	414.95	12.25	-27.73
CC([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090697	0	48	0.0	-40.73	372.64	12.76	-27.97
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300018090698	0	56	0.0	-42.13	434.21	11.51	-30.62
CC([NH2+]CCC1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090699	0	49	0.0	-44.86	363.27	9.14	-35.72
CC([NH2+]CC1CCSCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090700	0	46	0.0	-41.24	343.86	10.65	-30.59
CC(C)COC1=CC=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090701	0	55	0.0	-36.42	417.65	12.38	-24.04
CC([NH2+]CC1CCCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090702	0	51	0.0	-41.94	362.75	11.30	-30.64
CC([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090703	0	53	0.0	-38.22	403.41	11.80	-26.42
CC([NH2+]CC1=C(Cl)C=NC=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090704	0	41	0.0	-46.29	348.57	9.50	-36.79
CC([NH2+]CC1=NC2=C(CCCC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090705	0	48	0.0	-44.49	378.12	10.35	-34.14
CC([NH2+]CC1=CC=NC=C1Br)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090706	0	41	0.0	-34.29	336.93	9.39	-24.90
CC([NH2+]CC1=CC=NC=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090707	0	41	0.0	-34.79	333.31	9.30	-25.49
CC([NH2+]CC(C)(C)N1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090708	0	54	0.0	-40.53	383.48	7.61	-32.92
CC([NH2+]CC1=CC(F)=CC(Br)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090709	0	42	0.0	-39.99	353.82	11.27	-28.72
CCC([NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CCCC1	REAL300018090710	0	51	0.0	-37.35	361.92	11.30	-26.05
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=NN1C	REAL300018090711	0	45	0.0	-41.42	351.96	8.77	-32.65
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090712	0	48	0.0	-46.29	384.22	12.35	-33.94
CC([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090713	0	52	0.0	-44.76	413.80	11.86	-32.90
CCC1=NC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=N1	REAL300018090714	0	46	0.0	-43.52	353.68	9.09	-34.43
CC([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090715	0	49	0.0	-50.99	392.60	11.91	-39.08
CCN1C=NC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090716	0	45	0.0	-41.76	342.89	10.73	-31.03
CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090717	0	47	0.0	-51.94	382.68	12.32	-39.62
CC1=NC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])N1C	REAL300018090718	0	45	0.0	-43.57	347.06	9.58	-33.99
CC([NH2+]CC1=CC2=CC=NC=C2C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090719	0	47	0.0	-48.79	370.60	11.08	-37.71
CC1=C(Br)SC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090720	0	42	0.0	-41.50	365.75	11.15	-30.35
CC([NH2+]CC1=CC=CC2=NNC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090721	0	45	0.0	-42.07	352.23	9.29	-32.78
CC([NH2+]CC1=CC=CC2=CNN=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090722	0	45	0.0	-42.67	352.38	9.28	-33.39
CC([NH2+]CC1=CN=C2CCCN12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090723	0	46	0.0	-43.98	348.01	10.10	-33.88
CC([NH2+]C1CCN(S(C)(=O)=O)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090724	0	50	0.0	-51.32	383.32	6.41	-44.91
CC([NH2+]CC1=CC=C(F)C=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090725	0	41	0.0	-42.18	330.98	8.85	-33.33
CC1=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])SC=N1	REAL300018090726	0	41	0.0	-37.93	329.63	8.32	-29.61
COC1=CC(F)=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090727	0	46	0.0	-40.02	362.03	9.96	-30.06
CC(CC1=CN=CC=N1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090728	0	46	0.0	-47.75	347.35	8.80	-38.95
CC([NH2+]CC1=CN=C(C(C)(C)C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090729	0	52	0.0	-43.22	392.34	10.46	-32.76
COC1=CC=CC=C1N1CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090730	0	58	0.0	-41.03	430.48	10.50	-30.53
CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(Cl)=C1	REAL300018090731	0	45	0.0	-44.15	368.37	11.82	-32.33
COC1=CC=C(OC(F)F)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090732	0	50	0.0	-38.22	393.48	9.50	-28.72
CC([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090733	0	46	0.0	-36.13	378.09	10.63	-25.50
CC([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090734	0	44	0.0	-55.33	370.27	11.65	-43.68
CC([NH2+]CCC1=CC=CC(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090735	0	45	0.0	-45.29	368.08	11.87	-33.42
CC([NH2+]C1CCCC1C1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090736	0	52	0.0	-37.77	392.74	12.98	-24.79
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300018090737	0	55	0.0	-42.05	429.27	12.30	-29.75
CC1=CC=C(C2=NC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])S2)C=C1	REAL300018090738	0	51	0.0	-40.39	408.42	12.22	-28.17
CC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090739	0	47	0.0	-38.08	382.64	11.62	-26.46
CC([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090740	0	47	0.0	-33.01	375.75	11.45	-21.56
CC([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090741	0	47	0.0	-41.40	371.60	11.15	-30.25
CC([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090742	0	47	0.0	-38.71	372.34	11.19	-27.52
CC([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090743	0	47	0.0	-40.80	380.45	11.53	-29.27
CC([NH2+]CC1=CC=C(S(C)=O)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090744	0	47	0.0	-58.82	382.05	9.19	-49.63
CC([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090745	0	44	0.0	-45.86	374.27	11.87	-33.99
CC(C)CCN1C=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090746	0	55	0.0	-39.73	421.51	13.09	-26.64
CC([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090747	0	49	0.0	-40.28	396.73	12.57	-27.71
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300018090748	0	52	0.0	-38.80	409.20	13.15	-25.65
CCC1=CC=C(C2=CC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])O2)C=C1	REAL300018090749	0	55	0.0	-38.15	425.12	13.86	-24.29
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(OC(F)F)=C1	REAL300018090750	0	50	0.0	-42.57	393.49	9.52	-33.05
CCC1CC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CCO1	REAL300018090751	0	49	0.0	-33.80	352.44	9.07	-24.73
CC(C)C1CC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CCO1	REAL300018090752	0	52	0.0	-42.10	382.94	9.83	-32.27
CCN1C=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018090753	0	55	0.0	-41.99	434.93	12.78	-29.21
CC([NH2+]CC1=CC=C2CCCCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090754	0	52	0.0	-42.23	392.29	13.10	-29.13
CC([NH2+]C1CCC(C2CCCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090755	0	61	0.0	-37.54	425.76	13.56	-23.98
CC(C)CC(C)CC(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090756	0	56	0.0	-38.43	405.06	12.22	-26.21
CC1=CC=C(C(C)C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090757	0	51	0.0	-53.41	382.53	12.42	-40.99
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1C(C)(C)C	REAL300018090758	0	58	0.0	-38.05	426.79	12.57	-25.48
COCC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300018090759	0	46	0.0	-36.87	362.44	8.59	-28.28
CC([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090760	0	55	0.0	-40.24	402.41	11.67	-28.57
CC(C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CCCCC1	REAL300018090761	0	54	0.0	-34.74	376.58	11.93	-22.81
CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090762	0	47	0.0	-55.68	384.01	5.55	-50.13
CCC(CC)(CC)C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090763	0	53	0.0	-37.23	366.02	11.35	-25.88
CC([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090764	0	49	0.0	-38.28	379.97	12.52	-25.76
CCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300018090765	0	52	0.0	-43.89	400.43	11.56	-32.33
COC1=CC(C)=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090766	0	49	0.0	-42.24	383.80	10.74	-31.50
CC([NH2+]CC1CCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090767	0	52	0.0	-39.35	380.25	12.94	-26.41
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1N)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090768	0	44	0.0	-37.09	367.72	9.70	-27.39
CC([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090769	0	52	0.0	-47.25	392.17	12.75	-34.50
CC1=NC(C)=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])O1	REAL300018090770	0	44	0.0	-45.28	346.74	6.71	-38.57
COCC1=CSC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090771	0	46	0.0	-35.93	371.63	9.42	-26.51
CCCC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090772	0	48	0.0	-39.99	384.68	12.07	-27.92
CC(C)N1C=CN=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090773	0	48	0.0	-40.58	370.44	10.42	-30.16
CC1=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018090774	0	47	0.0	-50.63	359.63	11.64	-38.99
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Br	REAL300018090775	0	45	0.0	-38.78	365.62	11.78	-27.00
COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1Cl	REAL300018090776	0	46	0.0	-47.90	375.13	10.46	-37.44
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CS1	REAL300018090777	0	42	0.0	-42.40	341.47	10.36	-32.04
COC1=CC=CC(C)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090778	0	49	0.0	-41.50	379.42	10.58	-30.92
CC([NH2+]CC1=C2OC=CC2=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090779	0	45	0.0	-41.11	353.46	10.91	-30.20
CC([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090780	0	49	0.0	-43.11	388.48	11.72	-31.39
CC([NH2+]CC1=CN=C(C(F)(F)F)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090781	0	41	0.0	-44.01	348.07	8.92	-35.09
CCC1=NN(C)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090782	0	48	0.0	-40.18	363.31	9.64	-30.54
CC([NH2+]CC1=NN2CCCCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090783	0	49	0.0	-40.95	374.19	9.93	-31.02
CCC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090784	0	48	0.0	-41.84	377.13	12.14	-29.70
COC1=NC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090785	0	42	0.0	-40.46	339.51	6.12	-34.34
CC([NH2+]C1CC2=CC=C(Cl)C=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090786	0	46	0.0	-43.58	367.32	12.10	-31.48
CC([NH2+]C1CCC2(CC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090787	0	49	0.0	-34.99	356.21	11.26	-23.73
CC([NH2+]CC1=CC2=C(C=N1)OCCO2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090788	0	47	0.0	-43.34	369.03	7.96	-35.38
CC([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090789	0	45	0.0	-42.00	369.67	11.53	-30.47
CC([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090790	0	49	0.0	-50.30	341.05	10.61	-39.69
CC1=CC=CN2C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])=CN=C12	REAL300018090791	0	48	0.0	-50.65	382.54	11.74	-38.91
CCN1N=CN=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090792	0	44	0.0	-39.78	334.27	9.65	-30.13
CC([NH2+]CC1=CN=C(Cl)N1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090793	0	42	0.0	-45.66	338.34	9.39	-36.27
CC([NH2+]CC1=CN=C(Br)N1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090794	0	42	0.0	-45.64	342.63	9.41	-36.23
CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090795	0	48	0.0	-41.03	381.32	10.41	-30.62
CC([NH2+]CC1=CC(C(F)(F)F)=NN1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090796	0	42	0.0	-50.99	355.30	8.04	-42.95
CC1=CN=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])N1C	REAL300018090797	0	45	0.0	-45.06	342.40	9.38	-35.68
CC([NH2+]CC1=CC2=C(F)C=CC=C2N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090798	0	46	0.0	-45.56	372.64	10.74	-34.82
CC([NH2+]CC1=CC2=CC=C(F)C=C2N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090799	0	46	0.0	-41.40	364.41	10.60	-30.80
CCOC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300018090800	0	48	0.0	-36.48	371.01	8.11	-28.37
CC1=C(Cl)C=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090801	0	45	0.0	-44.75	363.09	11.77	-32.98
CC([NH2+]CC1=CC2=CC=NC=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090802	0	44	0.0	-39.03	358.24	10.34	-28.69
CC1=CC=CC2=NC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])N21	REAL300018090803	0	48	0.0	-43.94	362.20	11.36	-32.58
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090804	0	54	0.0	-39.55	404.52	11.20	-28.35
CCC([NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C1CC1(C)C	REAL300018090805	0	51	0.0	-38.38	373.19	11.36	-27.02
C=CCCCCCC(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090806	0	54	0.0	-40.30	403.35	12.58	-27.72
C=CCCCCC(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090807	0	51	0.0	-40.04	381.85	11.80	-28.24
CC1=CC(Cl)=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090808	0	45	0.0	-43.09	367.73	11.77	-31.32
COCC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090809	0	49	0.0	-38.94	375.78	10.24	-28.70
COCC(CC(C)(C)C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090810	0	54	0.0	-36.10	388.56	10.08	-26.02
CC([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090811	0	47	0.0	-56.31	377.02	11.05	-45.26
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC2=CC=CN=C12	REAL300018090812	0	50	0.0	-41.28	387.35	11.78	-29.50
CC(C)C1CCCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300018090813	0	54	0.0	-48.17	373.18	11.75	-36.42
CC1=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])SN=N1	REAL300018090814	0	40	0.0	-48.24	333.42	7.87	-40.37
CCCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1C	REAL300018090815	0	55	0.0	-43.54	427.18	12.49	-31.05
COC1=C(C)C=NC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300018090816	0	51	0.0	-44.55	392.05	9.40	-35.15
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090817	0	52	0.0	-39.59	399.95	12.22	-27.37
CC([NH2+]C1CCCCC12CCCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090818	0	55	0.0	-38.13	381.65	12.35	-25.78
CCC1CCCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300018090819	0	51	0.0	-39.10	361.45	11.36	-27.74
CC([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090820	0	45	0.0	-51.15	387.35	7.40	-43.75
CC([NH2+]CC1=CC=CC(F)=C1N)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090821	0	44	0.0	-40.35	337.96	8.65	-31.70
CC([NH2+]C1CCN(CC2=CC=CC=C2)C(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090822	0	60	0.0	-32.57	421.80	11.14	-21.43
CC([NH2+]CC1=CC=C(C(F)F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090823	0	45	0.0	-47.17	362.01	11.46	-35.71
CC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090824	0	44	0.0	-41.40	361.42	8.50	-32.90
CC([NH2+]CC1=CC=CC2=C1CCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090825	0	49	0.0	-41.78	373.91	12.44	-29.34
CC([NH2+]CC1=CN(C)N=C1[N+](=O)[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090826	0	44	0.0	-56.16	354.29	9.97	-46.19
CC([NH2+]CC1=NC(Cl)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090827	0	38	0.0	-48.52	331.36	8.17	-40.35
COC1=NSC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090828	0	42	0.0	-40.45	343.42	6.50	-33.95
CC([NH2+]CC1=NC=CC2=CC=CC=C21)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090829	0	47	0.0	-35.69	359.73	10.80	-24.89
COC1=CC=CC(Cl)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090830	0	46	0.0	-31.50	368.33	10.35	-21.15
CC1=NC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])N1C1=CC=CC=C1	REAL300018090831	0	52	0.0	-37.74	405.15	12.86	-24.88
CC1=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=NN1C	REAL300018090832	0	45	0.0	-36.99	346.63	8.80	-28.19
CCCN1N=C(C)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300018090833	0	54	0.0	-41.56	407.21	10.92	-30.64
CCN(CC)C1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1F	REAL300018090834	0	56	0.0	-48.28	428.87	11.66	-36.62
CCOC1CC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C12CCCC2	REAL300018090835	0	56	0.0	-33.40	401.83	11.55	-21.85
COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C(SC)C=C1OC	REAL300018090836	0	54	0.0	-45.54	428.59	10.86	-34.68
CC([NH2+]C1CCN(C2=CC=C(N(C)C)C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090837	0	62	0.0	-38.43	442.19	11.18	-27.25
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090838	0	53	0.0	-42.52	407.57	13.16	-29.36
CC([NH2+]C1CC2CCC(C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090839	0	49	0.0	-30.63	323.77	11.33	-19.30
CC([NH2+]C1CCCC12CCCC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090840	0	52	0.0	-38.11	371.82	12.15	-25.96
CCCC(C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=CC=C1	REAL300018090841	0	54	0.0	-35.75	398.24	13.22	-22.53
CC([NH2+]C1CC(C)CC(C2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090842	0	58	0.0	-32.47	400.18	14.41	-18.06
CC([NH2+]CC1=CN=C(C2CC2)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090843	0	45	0.0	-45.43	358.31	7.90	-37.53
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090844	0	52	0.0	-36.70	400.42	11.57	-25.13
CC([NH2+]C1CC(C(C)(C)C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090845	0	51	0.0	-38.72	371.72	11.08	-27.64
CC([NH2+]CC1=NC2=CC=C(F)C=C2S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090846	0	44	0.0	-46.90	367.68	10.12	-36.78
CC([NH2+]CC1=CC(F)=CC=C1OC(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090847	0	46	0.0	-44.40	378.53	10.44	-33.96
COC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC2=CC=CC=C21	REAL300018090848	0	52	0.0	-40.99	396.46	12.12	-28.87
CCOC1=CN=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090849	0	48	0.0	-42.06	368.30	8.93	-33.13
CCOC1=CC(F)=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090850	0	49	0.0	-39.40	383.88	10.88	-28.52
COC1=CC=C(C(C)C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090851	0	52	0.0	-55.97	390.60	11.04	-44.93
CC([NH2+]CC1=CC(C2CC2)=NN1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090852	0	49	0.0	-42.49	378.44	10.24	-32.25
CC([NH2+]C1CCC2(CCCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090854	0	58	0.0	-40.02	401.45	12.54	-27.48
CC([NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018090855	0	51	0.0	-38.34	384.54	12.30	-26.04
CC([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090856	0	50	0.0	-45.20	387.26	11.76	-33.44
CC([NH2+]C1CN(CC2=CC=CC=C2)CC1C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090857	0	57	0.0	-40.20	432.03	10.95	-29.25
COC1=CC=CC2=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])C=CC=C12	REAL300018090858	0	52	0.0	-45.98	403.60	12.20	-33.78
CC([NH2+]CC1=CC=NN1CC1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090859	0	49	0.0	-40.13	371.65	10.53	-29.60
CC(CCC1=CC=CN=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090860	0	50	0.0	-55.59	376.64	10.78	-44.81
CC(C)C1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090861	0	51	0.0	-41.57	394.53	12.63	-28.94
CC([NH2+]CC1=CC=C(S(N)(=O)=O)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090862	0	44	0.0	-52.59	366.95	3.74	-48.85
CC([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090863	0	53	0.0	-37.61	404.24	13.59	-24.02
CC([NH2+]C1CCC2(CCOCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090864	0	56	0.0	-36.23	380.52	10.01	-26.22
COC1=CN=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1C	REAL300018090865	0	48	0.0	-45.59	373.49	8.81	-36.78
CC([NH2+]CC1=CC=CC(Cl)=C1N)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090866	0	44	0.0	-39.05	346.88	9.13	-29.92
CCC1=CNC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300018090867	0	45	0.0	-37.99	344.78	8.58	-29.41
CC([NH2+]CCC1=CC=C(F)C=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090868	0	45	0.0	-45.92	375.89	11.96	-33.96
CC([NH2+]CC1=CC2=CN=CC=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090869	0	44	0.0	-41.60	344.62	9.31	-32.29
CC([NH2+]CC1=CC=C(C(F)(F)F)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090870	0	42	0.0	-43.55	365.12	11.01	-32.54
CC1=C2C=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])NC2=CC=C1	REAL300018090871	0	49	0.0	-39.86	378.96	11.18	-28.68
CCOC1CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090872	0	52	0.0	-42.13	385.12	10.17	-31.96
CC([NH2+]CC1=CSC(C(F)(F)F)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090873	0	42	0.0	-42.27	356.74	10.73	-31.54
CCCOC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1	REAL300018090874	0	55	0.0	-43.62	421.86	12.36	-31.26
CC1=C(C)NC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=N1	REAL300018090875	0	45	0.0	-37.85	343.09	8.37	-29.48
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OC1CC1	REAL300018090876	0	54	0.0	-43.96	411.79	11.39	-32.57
CC([NH2+]C1CCC2(CCCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090877	0	55	0.0	-34.18	378.33	12.02	-22.16
CC([NH2+]CC1=CC=C(C(F)F)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090878	0	44	0.0	-49.13	359.02	9.69	-39.44
CC([NH2+]C1CCC2=CC=CC=C2CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090879	0	52	0.0	-39.51	380.11	12.55	-26.96
CC([NH2+]CC1=NC=C(Br)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090880	0	38	0.0	-41.06	328.48	8.39	-32.67
CCC1(C)CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090881	0	54	0.0	-38.51	377.07	11.35	-27.16
CC([NH2+]C1CCCC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090882	0	52	0.0	-42.63	380.64	12.57	-30.06
CC([NH2+]CC1=CN(C)N=C1C(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090883	0	45	0.0	-43.61	355.69	9.19	-34.42
CC([NH2+]C(C)C1CCCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090884	0	54	0.0	-40.05	373.58	11.64	-28.41
CC([NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018090885	0	54	0.0	-44.51	419.44	13.06	-31.45
CCC1(CC)CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090886	0	57	0.0	-50.70	385.55	11.67	-39.03
CC([NH2+]CC1=CC=CC2=C1CCOC2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090887	0	50	0.0	-44.92	376.43	10.56	-34.36
CC([NH2+]CC1CC1C1=CC=C(F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090888	0	49	0.0	-43.97	380.08	12.53	-31.44
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090889	0	51	0.0	-48.52	392.40	12.27	-36.25
CC([NH2+]CC1=CC=CC(S(N)(=O)=O)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090890	0	47	0.0	-50.35	380.34	5.54	-44.81
CCCN1N=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090891	0	48	0.0	-40.49	365.32	9.86	-30.63
CC1=CC=C2C=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])NC2=C1	REAL300018090892	0	49	0.0	-45.37	387.50	11.31	-34.06
CC([NH2+]CC1=C2CCCN2N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090893	0	46	0.0	-44.28	356.08	9.21	-35.07
CC([NH2+]CC1=NN2CCCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090894	0	46	0.0	-42.25	356.15	9.10	-33.15
CC([NH2+]CC1=NC=C(C(F)(F)F)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090895	0	41	0.0	-42.81	347.35	8.84	-33.97
CC([NH2+]CC1=CC=CC(F)=C1OC(F)F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090896	0	46	0.0	-48.31	378.43	10.43	-37.88
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090897	0	50	0.0	-53.29	390.92	12.25	-41.04
CC([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090898	0	58	0.0	-41.35	422.08	13.96	-27.39
CC(C)C1CCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300018090899	0	51	0.0	-40.55	376.27	11.45	-29.10
CC([NH2+]CC1=CC2=CC=CN=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090900	0	44	0.0	-47.46	352.25	8.08	-39.38
CC1=CC(C2=CC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300018090901	0	58	0.0	-46.06	446.86	15.33	-30.73
CC([NH2+]C1CCCC1C1=CC=C(Cl)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090902	0	52	0.0	-39.63	392.45	13.76	-25.87
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018090903	0	51	0.0	-49.10	408.64	14.25	-34.85
CC([NH2+]C1CCCC(C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090904	0	51	0.0	-37.64	359.98	10.99	-26.65
CCC1CCCC([NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])CC1	REAL300018090905	0	54	0.0	-42.76	374.67	11.39	-31.37
CC([NH2+]C1CCCC(C)(C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090906	0	54	0.0	-38.11	373.13	11.29	-26.82
CC([NH2+]C1CCCC(C(C)(C)C)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090907	0	60	0.0	-37.97	408.47	12.39	-25.58
CC([NH2+]C1CCN(C)C(C)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090908	0	50	0.0	-38.34	361.59	8.00	-30.34
CC([NH2+]CC1=CC2=CC(F)=CC=C2O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090909	0	45	0.0	-40.87	356.30	11.11	-29.76
CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090910	0	49	0.0	-45.29	385.09	11.05	-34.24
CC([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090911	0	49	0.0	-48.03	398.17	9.02	-39.01
COC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(Br)=C1	REAL300018090912	0	46	0.0	-46.32	380.01	10.55	-35.77
COCC1=CC=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090913	0	49	0.0	-44.83	389.30	10.43	-34.40
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090914	0	52	0.0	-43.12	421.25	12.91	-30.21
CC([NH2+]CC1=CSC(CN(C)C)=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090915	0	49	0.0	-34.88	383.04	7.01	-27.87
CC([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090916	0	53	0.0	-47.38	430.43	14.69	-32.69
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300018090917	0	52	0.0	-38.91	403.09	11.45	-27.46
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090918	0	59	0.0	-40.91	433.65	11.35	-29.56
CC1=CC=C(CC[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090919	0	48	0.0	-55.29	368.02	11.90	-43.39
CCCCC(C)C(C)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090920	0	53	0.0	-35.23	375.23	11.47	-23.76
COC1=CC(C)=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OC	REAL300018090921	0	53	0.0	-39.64	398.57	10.35	-29.29
CC([NH2+]CC1=CC=CC=C1C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090922	0	49	0.0	-41.44	372.63	12.60	-28.84
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090923	0	44	0.0	-46.97	382.60	12.71	-34.26
CC1=C(Br)C=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090924	0	42	0.0	-42.41	366.84	11.21	-31.20
CC([NH2+]CCC1=CC=C(F)C=C1F)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090925	0	45	0.0	-46.82	367.59	11.59	-35.23
CC1=CC(CC[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC(C)=C1	REAL300018090926	0	51	0.0	-41.77	398.54	12.82	-28.95
CC([NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090927	0	49	0.0	-41.53	406.60	11.07	-30.46
CC([NH2+]C1CCCCC1C1=CC=CC=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090928	0	55	0.0	-35.71	413.71	13.79	-21.92
COC1=CC=C(CC(C)[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1OC	REAL300018090929	0	59	0.0	-43.87	428.74	11.01	-32.86
COC1=CC=C(N2C=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])C=N2)C=C1	REAL300018090930	0	53	0.0	-46.51	410.31	11.03	-35.48
CC(CCC1=CSC=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090931	0	48	0.0	-34.63	367.40	11.54	-23.09
COCCC1=CC=C(OCC(C)[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018090932	0	59	0.0	-37.92	448.51	11.15	-26.77
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090933	0	52	0.0	-45.25	416.71	13.09	-32.16
CC([NH2+]CC1=C(F)C=NC=C1Br)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090934	0	41	0.0	-34.85	340.72	9.28	-25.57
CC([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090935	0	55	0.0	-43.93	426.84	14.06	-29.87
CC([NH2+]CC1=CNN=C1C1=CSC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090936	0	46	0.0	-44.31	381.34	9.57	-34.74
CC([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090937	0	48	0.0	-50.71	390.44	8.94	-41.77
CC(CC1=CN(C)N=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090938	0	48	0.0	-38.98	365.19	9.33	-29.65
CC([NH2+]CC1=CN=C2C(=C1)C=NN2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090939	0	47	0.0	-47.24	370.42	9.72	-37.52
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090940	0	51	0.0	-37.85	398.76	12.67	-25.18
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090941	0	52	0.0	-36.82	423.47	13.42	-23.40
CC([NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090942	1	62	0.0	-50.42	444.54	12.44	-37.98
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090943	0	54	0.0	-42.63	417.24	13.32	-29.31
COCC(CC1CCOCC1)[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090944	0	56	0.0	-37.49	405.99	8.90	-28.59
CC([NH2+]CCCC1=CN(C)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090945	0	48	0.0	-47.66	375.66	9.93	-37.73
CC([NH2+]C1CCCC1C1=CC=CC=C1Cl)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090946	0	52	0.0	-35.35	400.16	13.77	-21.58
CC([NH2+]CC1=CN=C(N2CCN(C)CC2)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090947	0	57	0.0	-44.77	424.09	8.79	-35.98
CC([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090948	0	53	0.0	-36.97	414.56	14.05	-22.92
CC([NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090949	0	55	0.0	-45.07	413.64	11.97	-33.10
CC([NH2+]CC1=NC2=C(CC(C)CC2)S1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090950	0	51	0.0	-44.28	398.91	10.96	-33.32
CCC1=CN=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])S1	REAL300018090951	0	44	0.0	-44.11	357.79	9.33	-34.78
CC([NH2+]CC1=CC=C(F)N=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090952	0	41	0.0	-49.71	330.86	8.77	-40.94
CC([NH2+]CC1=CC=CC=C1N1CCCCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090953	0	57	0.0	-33.63	414.38	12.51	-21.12
CC([NH2+]C1CCC2COCCC2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090954	0	53	0.0	-44.31	379.17	10.24	-34.07
CC([NH2+]C1CC2(C1)COC(C)(C)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090955	0	53	0.0	-42.78	395.25	10.15	-32.63
CC([NH2+]C1CC2(C1)COC(C)C2)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090956	0	50	0.0	-35.97	365.51	9.38	-26.59
CC([NH2+]C1CCOC2=CC=CC=C2C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090957	0	50	0.0	-36.32	370.52	10.84	-25.48
CC([NH2+]C1CCCC2=C(C=CS2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090958	0	49	0.0	-42.51	371.50	11.73	-30.78
CC([NH2+]CC1=C2C(=CC=C1)N=CN2C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090959	0	48	0.0	-46.57	372.64	11.95	-34.62
COC1=CC=C(C)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090960	0	49	0.0	-40.90	378.56	10.61	-30.29
CC([NH2+]CC1=NOC(C2CCC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090961	0	48	0.0	-40.93	374.75	10.84	-30.09
CC([NH2+]CC1=NOC(C2(C)CC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090962	0	48	0.0	-41.05	377.18	10.76	-30.29
CCC1=CC=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090963	0	48	0.0	-35.51	358.40	11.83	-23.68
CC1=CC(F)=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090964	0	45	0.0	-43.86	357.43	11.34	-32.52
CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C(C)=C1C	REAL300018090965	0	51	0.0	-35.15	374.61	12.27	-22.88
CC([NH2+]CC1=CC=CC=C1C(C)(C)C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090966	0	54	0.0	-38.37	386.36	12.79	-25.58
CC([NH2+]CC1=CN=C2CCCCCN12)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090967	0	52	0.0	-43.81	378.02	10.91	-32.90
COC1=CC=C2SC(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])=CC2=C1	REAL300018090968	0	49	0.0	-38.35	393.05	11.41	-26.94
CC([NH2+]CC1=CON=C1C1CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090969	0	45	0.0	-43.96	350.15	10.13	-33.83
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NO1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090970	0	48	0.0	-43.39	376.97	11.68	-31.71
CCN1CCC2=CC(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])=CC=C21	REAL300018090971	0	54	0.0	-39.07	401.30	11.15	-27.92
CC([NH2+]C1CCC2(COC(C)(C)C2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090972	0	59	0.0	-34.51	410.22	10.92	-23.59
CSC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300018090973	0	46	0.0	-48.97	384.83	12.07	-36.90
CC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=C1C1CC1	REAL300018090974	0	52	0.0	-36.62	393.14	13.21	-23.41
COC1=CC=CC2=C1CCCC([NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-])C2	REAL300018090975	0	56	0.0	-41.06	408.72	12.00	-29.06
CCOC1=CC(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=CC=N1	REAL300018090976	0	48	0.0	-44.17	370.94	8.17	-36.00
CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1C1CC1	REAL300018090977	0	52	0.0	-41.74	400.68	13.34	-28.40
CC1=NN(C2=CC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])C(C)=C2)C=C1	REAL300018090978	0	55	0.0	-51.40	429.94	13.04	-38.36
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090979	0	52	0.0	-49.34	424.61	13.02	-36.32
CC1=NN(C2=CC=C(C[NH2+]C(C)C(CC3=CC=CC=C3)C(=O)[O-])C=C2)C=C1Cl	REAL300018090980	0	52	0.0	-42.89	417.63	12.79	-30.10
CC(C)CC1CCCC1[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090981	0	54	0.0	-37.45	384.97	12.34	-25.11
CC([NH2+]C1CC(C2CCC2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090982	0	49	0.0	-39.20	366.31	11.57	-27.63
CC([NH2+]CC1=CN=C(C2CCOCC2)O1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090983	0	52	0.0	-47.00	401.87	7.06	-39.94
CC([NH2+]CC1=NOC(C2CC2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090984	0	45	0.0	-41.25	358.17	10.34	-30.91
CC([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090985	0	53	0.0	-45.76	407.64	11.81	-33.95
CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1OC(F)F	REAL300018090986	0	49	0.0	-36.14	385.45	10.92	-25.22
CC(C)C1=CC=C(O)C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018090987	0	52	0.0	-35.38	394.94	9.80	-25.58
CC1=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])NN=C1C(F)(F)F	REAL300018090988	0	45	0.0	-43.63	363.82	8.54	-35.09
CC([NH2+]C1CCC2(CCC2)CC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090989	0	52	0.0	-34.08	364.25	11.51	-22.57
CC1=CC=C(C[NH2+]C(C)C(CC2=CC=CC=C2)C(=O)[O-])C=C1O	REAL300018090990	0	46	0.0	-38.59	353.09	8.43	-30.16
CC([NH2+]CC1=NC(C2CC2)=CS1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090991	0	45	0.0	-40.79	357.84	9.76	-31.03
CC([NH2+]CC1=CN(CC2CC2)N=N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090992	0	48	0.0	-44.83	379.13	9.50	-35.33
CC([NH2+]CC1=CC=C2CCOC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090993	0	47	0.0	-46.60	370.10	10.56	-36.04
CC([NH2+]CC1=NC2=C(CCCC2)N1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090994	0	49	0.0	-37.77	364.96	9.59	-28.18
CC([NH2+]CC1=CC=C2COCCC2=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090995	0	50	0.0	-40.03	375.72	10.61	-29.42
CC1=CC=CC(F)=C1C[NH2+]C(C)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090996	0	45	0.0	-44.09	356.57	11.24	-32.85
CC([NH2+]CC1=CC=CC=C1C1CCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090997	0	52	0.0	-35.52	385.50	13.04	-22.48
CC([NH2+]CC1=CN(C)N=C1C1CCOCC1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090998	0	56	0.0	-47.82	432.04	9.85	-37.97
CC([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018090999	0	50	0.0	-43.16	390.39	10.44	-32.72
CC([NH2+]C1CC(COCC2=CC=CC=C2)C1)C(CC1=CC=CC=C1)C(=O)[O-]	REAL300018091000	0	56	0.0	-35.90	426.17	12.43	-23.47
CCC(C[NH2+]CC1=CC=C(C)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109019	0	45	0.0	-44.88	353.44	11.10	-33.78
CCC(C[NH2+]C1CCCCC1(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109020	0	51	0.0	-35.30	350.77	10.81	-24.49
CCC(C[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018109022	0	44	0.0	-40.05	363.12	11.48	-28.57
CCC(C[NH2+]C(C)CCC=C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109023	0	51	0.0	-39.14	375.96	11.49	-27.65
CCC(C[NH2+]C1CC(C)(C)CC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109024	0	57	0.0	-37.53	396.65	11.69	-25.84
CCC(C[NH2+]C(C)CCC1=CNC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109025	0	55	0.0	-43.48	415.60	12.58	-30.90
CCC(C[NH2+]CC1=CC=C(OC)C(OC)=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109026	0	50	0.0	-42.05	401.31	10.18	-31.87
CCC(C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109027	0	49	0.0	-43.00	388.19	13.04	-29.96
CCC(C[NH2+]CC1=CC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109028	0	45	0.0	-43.70	359.80	12.01	-31.69
CCC(C[NH2+]CC1=CC=C(OC(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109029	0	52	0.0	-44.97	396.00	11.24	-33.73
CCCCCCCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018109030	0	64	0.0	-43.75	480.97	14.52	-29.23
CCC(C[NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109031	0	63	0.0	-44.03	459.65	14.76	-29.27
CCC(C[NH2+]CC1=CC=C(F)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109032	0	45	0.0	-47.31	353.45	11.09	-36.22
CCC(C[NH2+]C1CC(C)CCC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109033	0	51	0.0	-36.98	363.74	11.05	-25.93
CCC(C[NH2+]CC1=C2NC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109034	0	46	0.0	-40.86	352.92	10.40	-30.46
CCC(C[NH2+]CC1=CSC([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109035	0	41	0.0	-58.15	346.76	10.19	-47.96
CCC(C[NH2+]CC1=CC=CC=C1N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109036	0	55	0.0	-36.31	406.98	10.02	-26.29
CCC(C[NH2+]C1CC(C)CC(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109037	0	51	0.0	-37.69	360.25	10.74	-26.95
CCC(C[NH2+]CC1=CC=C(CC(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109038	0	54	0.0	-42.61	407.91	13.08	-29.53
CCC(C[NH2+]CC1=CC=CC(C2=CC=C(C)C=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109039	0	55	0.0	-45.99	422.33	14.48	-31.51
CCC(C[NH2+]CC1=CC(C)=CC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109040	0	48	0.0	-42.98	369.53	11.72	-31.26
CCC(C[NH2+]CC1=CC(OC)=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018109041	0	46	0.0	-42.94	371.61	10.27	-32.67
CCC(C[NH2+]CC1=CC=C(OC)C([N+](=O)[O-])=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109042	0	48	0.0	-50.08	377.08	11.12	-38.96
CCC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109043	0	42	0.0	-43.77	355.87	11.48	-32.29
CCC(C[NH2+]CC1=C(C)C=CC=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109044	0	48	0.0	-41.51	359.87	11.47	-30.04
CCC(C[NH2+]CC1=CC=CC(C2=CC=CC=C2C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109045	0	55	0.0	-39.91	417.60	14.47	-25.44
CCC(C[NH2+]CC1=CC=CC(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109046	0	46	0.0	-48.63	365.97	9.98	-38.65
CCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1OCC	REAL300018109047	0	56	0.0	-48.33	429.18	11.43	-36.90
CCC(C[NH2+]C1CCC(C(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109048	0	54	0.0	-38.01	366.71	11.61	-26.40
CCC(C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109049	0	45	0.0	-49.01	373.45	11.81	-37.20
CCC(C[NH2+]CC1=CC=C(F)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018109050	0	42	0.0	-37.40	345.09	11.09	-26.31
CCC(C[NH2+]CC1=CC=C2OC(F)(F)OC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109051	0	45	0.0	-46.66	361.16	9.50	-37.16
CCC(C[NH2+]CC1=CC=NC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109052	0	47	0.0	-46.51	358.87	10.74	-35.77
CCC(C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109053	0	46	0.0	-48.44	372.72	10.19	-38.25
CCC(C[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109054	0	48	0.0	-55.80	387.40	7.92	-47.88
CCC(C[NH2+]CC1=CC=C(C2=CC=CC=C2OC)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109055	0	56	0.0	-46.59	434.93	13.46	-33.13
CCC(C[NH2+]C(C)CCOCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109056	0	55	0.0	-41.50	417.71	11.79	-29.71
CCC(C[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109057	0	49	0.0	-45.14	387.22	12.68	-32.46
CCC(C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109058	0	52	0.0	-42.77	411.77	14.36	-28.41
CCC(C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109059	0	52	0.0	-42.56	412.50	14.32	-28.24
CCC(C[NH2+]C(C)CCCC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109060	0	53	0.0	-39.57	384.34	11.58	-27.99
CCC(C[NH2+]CC1=CC=C(OC)C2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109061	0	52	0.0	-42.96	391.74	11.96	-31.00
CCC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018109062	0	45	0.0	-40.32	356.00	11.15	-29.17
CCC(C[NH2+]CC1=NC2=CC=CC=C2N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109063	0	48	0.0	-45.92	373.13	10.74	-35.18
CCC(C[NH2+]CC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109064	0	47	0.0	-44.20	358.30	10.31	-33.89
CCC(C[NH2+]CC1=CSC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109065	0	39	0.0	-41.46	334.07	10.15	-31.31
CCC(C[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109066	0	55	0.0	-37.24	427.14	12.05	-25.19
CCC(C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109067	0	55	0.0	-39.36	431.40	11.96	-27.40
CCC(C[NH2+]CC1=CC=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109068	0	53	0.0	-42.92	395.48	10.30	-32.62
CCC(C[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109069	0	50	0.0	-54.94	400.30	7.11	-47.83
CCC(C[NH2+]CC1=C2C=CNC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109070	0	46	0.0	-42.84	357.89	10.41	-32.43
CCC(C[NH2+]CC1=CC=C2C=CNC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109071	0	46	0.0	-41.93	352.92	10.42	-31.51
CCC(C[NH2+]CC1=CC(C)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109072	0	45	0.0	-45.88	344.11	8.53	-37.35
CCC(C[NH2+]C(C)CC1=CC=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109073	0	45	0.0	-41.86	352.14	10.82	-31.04
CCC(C[NH2+]CC1=CC=CC2=C1OC(F)(F)O2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109074	0	45	0.0	-50.11	361.11	9.48	-40.63
CCC(C[NH2+]CC1=CC=C(F)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109075	0	45	0.0	-42.59	343.59	11.17	-31.42
CCC(C[NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109076	0	56	0.0	-46.64	417.34	12.22	-34.42
CCC(C[NH2+]C(C)CC(C)(C)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109077	0	57	0.0	-36.34	397.38	13.39	-22.95
CCC(C[NH2+]CC1=CC=CC=C1N(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109078	0	50	0.0	-36.75	372.81	10.39	-26.36
CCC(C[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109079	0	51	0.0	-48.72	395.95	12.04	-36.68
CCC(C[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109080	0	51	0.0	-44.77	390.97	12.05	-32.72
CCC(C[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109081	1	59	0.0	-44.38	435.94	9.10	-35.28
CCC(C[NH2+]CC1=C(N2CCOCC2)N(C)N=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109082	0	58	0.0	-40.32	426.61	8.01	-32.31
CCC(C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109083	0	51	0.0	-50.05	408.05	8.89	-41.16
CCC(C[NH2+]C1CCN(C2=CN=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109084	0	52	0.0	-43.11	382.27	8.23	-34.88
CCC(C[NH2+]C1CCN(CC2=CC=CC=N2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109085	0	56	0.0	-42.03	413.38	9.34	-32.69
CCC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109086	0	49	0.0	-48.19	386.79	11.66	-36.53
CCC(C[NH2+]CC1=C(C)NN=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109087	0	45	0.0	-47.54	347.20	7.93	-39.61
CCC(C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109088	0	49	0.0	-47.63	397.11	12.13	-35.50
CCC(C[NH2+]CC1=CN(C(C)(C)C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109089	0	51	0.0	-44.81	389.47	10.21	-34.60
CCC(C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109090	0	49	0.0	-43.79	391.76	11.11	-32.68
CCC(C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109092	0	46	0.0	-45.05	381.34	10.54	-34.51
CCC(C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109093	0	49	0.0	-39.37	406.13	13.68	-25.69
CCC(C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109094	0	52	0.0	-59.17	409.08	8.92	-50.25
CCC(C[NH2+]CC1=CNN=C1C1=CC=CC(OC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109095	0	53	0.0	-51.15	407.11	9.55	-41.60
CCC(C[NH2+]CC1=CN=C(N2CCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109096	0	52	0.0	-48.38	391.43	10.35	-38.03
CCC(C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109097	0	55	0.0	-48.16	432.87	11.91	-36.25
CCC(C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109098	0	55	0.0	-48.25	430.76	11.98	-36.27
CCC(C[NH2+]CC1=CN(C)N=C1C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109100	0	51	0.0	-45.95	391.92	10.04	-35.91
CCC(C[NH2+]CC1=CC=CC(OCCOC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109101	0	53	0.0	-47.60	411.70	9.89	-37.71
CCC(C[NH2+]CC1=CC=C(OC)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109102	0	46	0.0	-46.03	367.09	10.24	-35.79
CCC(C[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109103	0	47	0.0	-39.60	381.82	9.32	-30.28
CCC(C[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109104	0	50	0.0	-50.42	385.10	10.13	-40.29
CCC(C[NH2+]CC1=NC2=CC=CC=C2N1C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109105	0	54	0.0	-51.97	408.09	11.96	-40.01
CCC(C[NH2+]CC1=CC(Br)=CN=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109106	0	45	0.0	-39.08	369.45	7.86	-31.22
CCC(C[NH2+]CC1=CC=CN=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109107	0	45	0.0	-43.48	347.33	7.17	-36.31
CCC(C[NH2+]CC1=CC=C(Br)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109108	0	41	0.0	-38.30	337.84	9.17	-29.13
CCC(C[NH2+]CC1=CN=C(N2CCOCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109109	0	51	0.0	-47.30	400.40	7.71	-39.59
CCC(C[NH2+]CC1=CC=CC2=NC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109110	0	47	0.0	-46.27	358.51	10.72	-35.55
CCC(C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109111	0	49	0.0	-48.54	397.65	11.08	-37.46
CCC(C[NH2+]CC1=CN=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109112	0	41	0.0	-41.36	328.25	8.36	-33.00
CCC(C[NH2+]CC1=CC=CC2=C1OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109113	0	48	0.0	-45.82	369.59	9.61	-36.21
CCC(C[NH2+]CC1=CC=CC2=C1OCCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109114	0	51	0.0	-40.30	381.37	10.41	-29.89
CCC(C[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109115	0	49	0.0	-43.16	386.25	12.70	-30.46
CCC(C[NH2+]C1CC(C2=CC=CC=C2Cl)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109116	0	49	0.0	-41.71	384.23	12.57	-29.14
CCC(C[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109117	0	50	0.0	-52.15	395.88	11.68	-40.47
CCC(C[NH2+]CC1=CN=C(N2CCOCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109118	0	53	0.0	-48.36	398.98	8.80	-39.56
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109119	0	54	0.0	-44.42	412.56	12.46	-31.96
CCCOC1=CC=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018109120	0	52	0.0	-45.81	399.57	11.42	-34.39
CCC(C[NH2+]C(C)CN1C=NC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109121	0	44	0.0	-43.65	336.00	10.79	-32.86
C#CCCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018109122	0	51	0.0	-46.39	405.36	11.94	-34.45
CCC(C[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109123	0	49	0.0	-43.75	392.76	12.98	-30.77
CCC(C[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109124	0	49	0.0	-47.09	399.11	13.24	-33.85
CCC(C[NH2+]CC1=CC2=C(C)NN=C2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109125	0	47	0.0	-60.73	369.78	8.92	-51.81
CCC(C[NH2+]CC1=CC=CC(OC2CCCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109126	0	56	0.0	-41.89	415.64	12.59	-29.30
CCC1=NC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018109127	0	44	0.0	-45.18	354.90	9.11	-36.07
CCC(C[NH2+]CC1=CC=CC=C1N1C=NC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109128	0	48	0.0	-37.97	367.66	13.25	-24.72
CCC(C[NH2+]CC1=CN(C)N=C1C1=CC=CN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109129	0	51	0.0	-47.21	396.76	9.88	-37.33
CCC(C[NH2+]CC1=CN(C)N=C1C1=CC=NC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109130	0	51	0.0	-55.46	400.91	9.81	-45.65
CCC(C[NH2+]CC1=CN=C2C=CC=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109131	0	45	0.0	-45.38	349.25	10.91	-34.47
CCC(C[NH2+]CC1=CN=C(N(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109132	0	46	0.0	-42.29	363.16	9.44	-32.85
CCC(C[NH2+]CC1=CC=CC(OC(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109133	0	52	0.0	-41.33	390.83	11.24	-30.09
CCC(C[NH2+]CC1=CSC(C2=CC=C(C)C=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109134	0	51	0.0	-37.55	407.80	11.86	-25.69
CCC(C[NH2+]CC1=CSC(C(C)C)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109135	0	47	0.0	-39.99	374.49	9.43	-30.56
CCC(C[NH2+]CC1=CSC(C2CC2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109136	0	45	0.0	-36.26	358.01	9.62	-26.64
CCC(C[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109137	0	52	0.0	-47.72	418.84	10.78	-36.94
CCC1=NC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=CS1	REAL300018109138	0	44	0.0	-45.58	354.76	8.87	-36.71
CCC(C[NH2+]C(C)CCC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109139	0	51	0.0	-41.67	385.41	12.56	-29.11
CCC(C[NH2+]C(C)CCC1=CC=CC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109140	0	54	0.0	-40.82	405.09	13.18	-27.64
CCC(C[NH2+]C(C)CCC1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109141	0	54	0.0	-42.05	417.73	13.49	-28.56
CCC(C[NH2+]C(C)CCC1=CC=C(C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109142	0	54	0.0	-42.56	405.09	13.20	-29.36
CCC(C[NH2+]C1CCC(F)(F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109143	0	45	0.0	-43.50	331.03	9.92	-33.58
CCC(C[NH2+]C1CCN(C(C)C2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109144	0	57	0.0	-37.01	415.04	11.12	-25.89
CCC(C[NH2+]C1CCN(CC2CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109145	1	54	0.0	-38.00	389.40	9.31	-28.69
CCC(C[NH2+]CC1=CSC(C(C)(C)C)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109146	0	50	0.0	-45.07	393.41	9.94	-35.13
CCC(C[NH2+]CC1=CSC(C2=CSC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109147	0	45	0.0	-37.35	377.43	10.12	-27.23
CCC(C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109148	0	49	0.0	-39.97	395.81	13.24	-26.73
CCC(C[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109149	0	54	0.0	-42.62	411.03	11.09	-31.53
CCC(C[NH2+]CC1=CC2=NC=CN=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109150	0	46	0.0	-50.30	362.76	8.81	-41.49
CCC(C[NH2+]CC1=CC=CC=C1OC1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109151	0	56	0.0	-42.00	420.43	12.65	-29.35
CCC(C[NH2+]CC1=CN2C=C(Cl)C=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109152	0	45	0.0	-49.69	370.41	11.41	-38.28
CCC(C[NH2+]CC1=CN=C(C(C)(C)C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109153	0	50	0.0	-44.69	393.56	10.19	-34.50
CCC(C[NH2+]CC1=C(C)SC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109155	0	45	0.0	-39.63	351.50	11.00	-28.63
CCC(C[NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109156	0	52	0.0	-43.15	411.65	13.93	-29.22
CCC(C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109157	0	48	0.0	-52.53	392.81	10.69	-41.84
CCC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109158	0	46	0.0	-43.76	388.98	10.83	-32.93
C#CCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018109159	0	48	0.0	-46.49	379.26	11.15	-35.34
CCOC1=C(OC)C=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018109160	0	57	0.0	-49.06	436.17	10.53	-38.53
CCC(C[NH2+]C1CCN(CC2=CC=NC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109161	0	56	0.0	-45.73	413.77	9.21	-36.52
CCC(C[NH2+]CC1=CC=CC(OCCCOC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109163	0	56	0.0	-44.70	433.25	10.49	-34.21
CCC(C[NH2+]CC1=CC=C(SC)C(OC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109164	0	50	0.0	-45.18	390.47	10.73	-34.45
CCC(C)OC1=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018109165	0	59	0.0	-48.16	445.99	11.93	-36.23
C=C(C)COC1=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018109166	0	57	0.0	-45.02	434.48	11.87	-33.15
CCC(C[NH2+]CC1=CC=C(OC)C(OCCC(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109167	0	62	0.0	-48.19	467.88	12.62	-35.57
CCC(C[NH2+]C1CCN(CCN2CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109168	0	63	0.0	-40.23	448.17	6.50	-33.73
CCOCC1=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018109169	0	56	0.0	-39.09	425.15	10.60	-28.49
CCC(C[NH2+]CC1=CC(C2=CC=CC=C2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109170	0	49	0.0	-48.92	381.81	10.40	-38.52
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109171	0	51	0.0	-45.23	400.61	11.42	-33.81
CCN1C=CN=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109172	0	45	0.0	-37.35	343.30	9.64	-27.71
CCC(C[NH2+]CC1=C(OCC(F)(F)F)N(C)N=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109173	0	52	0.0	-50.33	424.13	8.91	-41.42
CCCC(CC1=CC=CC=C1)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109174	0	54	0.0	-37.81	394.81	13.15	-24.66
CCC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109175	0	48	0.0	-46.94	379.63	10.22	-36.72
CCC(C[NH2+]CC1=NC(C2=CC=CC=C2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109176	0	48	0.0	-44.62	384.71	11.16	-33.46
CCN1N=C(C)C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018109177	0	51	0.0	-42.03	386.11	10.12	-31.91
CCC(C[NH2+]C(C)CCC1=CC=C(C(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109178	0	54	0.0	-46.19	422.42	13.52	-32.67
C=CCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018109179	0	50	0.0	-46.76	407.00	11.75	-35.01
CCC(C[NH2+]CC1=CN=C(C2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109180	0	48	0.0	-43.93	387.44	11.49	-32.44
CCC(C[NH2+]C(CCOC)CC1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109181	0	55	0.0	-39.69	413.40	11.51	-28.18
CCC(C[NH2+]C1CCCC1CCC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109182	0	57	0.0	-37.78	404.41	12.98	-24.80
CCCCC1CCCC1[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109183	0	54	0.0	-37.66	386.85	12.46	-25.20
CCC(C[NH2+]CC1=CC(OC)=CC2=C1OC(C)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109184	0	54	0.0	-40.65	413.14	10.27	-30.38
CCC(C[NH2+]CC1=NN(C)C2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109185	0	48	0.0	-44.78	371.50	10.31	-34.47
CCC(C[NH2+]CC1=C2C=CC=CC2=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109186	0	45	0.0	-47.75	348.45	9.01	-38.74
CCC(C[NH2+]CC1=NNC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109186	1	45	0.0	-45.19	349.50	9.10	-36.09
CCC(C[NH2+]CC1=CC=C(N(C)C)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109187	0	50	0.0	-46.03	382.63	9.94	-36.09
CCC(C[NH2+]CC1=NC=CN1CC(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109188	0	45	0.0	-41.74	363.92	9.88	-31.86
CCC(C[NH2+]C(CC1=CC=CC(Cl)=C1)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109190	0	57	0.0	-33.20	423.39	13.94	-19.26
CCC(C[NH2+]CC1=CC=C2OC(C)(C)CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109191	0	53	0.0	-43.24	398.97	11.64	-31.60
CCC(C[NH2+]CC1=CC(C)=NS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109192	0	41	0.0	-49.74	333.27	8.81	-40.93
CCC(C[NH2+]CC1=COC(C2=CC=CC=C2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109193	0	48	0.0	-39.84	378.22	8.83	-31.01
CCC(C[NH2+]CC1=CSC(C2=CC=CS2)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109194	0	45	0.0	-41.62	383.20	10.22	-31.40
CCC(C[NH2+]C(C)CC1=CSC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109195	0	45	0.0	-42.25	351.72	10.65	-31.60
CCC(C[NH2+]CC1CCCCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109196	0	54	0.0	-37.38	363.50	11.60	-25.78
CCC(C[NH2+]CC1=NC(C)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109197	0	41	0.0	-41.90	328.13	8.13	-33.77
CCC(C[NH2+]CC1=CNN=C1C1=CC=CC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109198	0	52	0.0	-42.18	399.17	10.92	-31.26
CCC(C[NH2+]CC1=CC(OC)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109199	0	49	0.0	-44.55	389.78	10.69	-33.86
CCC(C[NH2+]CC1=CC=C(Br)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109200	0	42	0.0	-37.32	356.40	11.53	-25.79
CCC(C[NH2+]C(C)CSC(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109201	0	51	0.0	-39.11	378.16	11.21	-27.90
CCC(C[NH2+]CC1=CN=C(N(C)C)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109202	0	50	0.0	-49.63	385.34	9.46	-40.17
CCC(C[NH2+]CC1=NC(C2=CC=CC=C2)=CN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109203	0	49	0.0	-53.96	385.63	10.70	-43.26
CCC(C[NH2+]CC1=CC=C(OCC(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109204	0	55	0.0	-43.66	415.08	12.09	-31.57
CCC(C[NH2+]CC1=CC=C(OCCOC)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109205	0	53	0.0	-48.12	411.70	9.89	-38.23
CCC(C[NH2+]C(COC)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109206	0	51	0.0	-38.10	366.43	9.11	-28.99
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109207	0	51	0.0	-38.15	398.12	13.67	-24.48
CCC(C[NH2+]CC1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109208	0	54	0.0	-41.16	381.71	11.62	-29.54
CCC(C[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109209	0	46	0.0	-45.88	377.70	10.59	-35.29
CCC(C[NH2+]CC1=CC=C(N(C)C)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109210	0	53	0.0	-39.21	388.28	11.46	-27.75
CCC(C[NH2+]CC1=CC=C2CCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109211	0	49	0.0	-39.43	367.10	12.30	-27.13
CCC(C[NH2+]C(C)CC1=CC=CC=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109212	0	51	0.0	-34.68	371.85	12.18	-22.50
CCC(C[NH2+]C(C)CC1=CC=CC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109213	0	51	0.0	-41.57	378.62	12.41	-29.16
CCC(C[NH2+]CC1=CC2=C(C=C1OC)OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109214	0	49	0.0	-44.00	380.87	8.42	-35.58
CCC(C[NH2+]CC1=CC(OC)=C(OC)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109215	0	50	0.0	-38.54	392.09	10.07	-28.47
CCC(C[NH2+]CC1=C(OC)C=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109216	0	43	0.0	-35.53	342.53	8.88	-26.65
CCC(C[NH2+]CC1=CC=CC(OCC(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109217	0	55	0.0	-41.88	414.52	12.12	-29.76
CCC(C[NH2+]CC1=CC=C(F)C2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109218	0	48	0.0	-48.01	373.24	12.56	-35.45
CCC(C[NH2+]CC1=CC=C(OC)C(CN2C=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109219	0	56	0.0	-52.22	438.80	11.38	-40.84
CCC(C[NH2+]CCC1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109220	0	49	0.0	-43.79	360.15	8.94	-34.85
CCC(C[NH2+]CC1CCSCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109221	0	46	0.0	-45.59	347.30	10.45	-35.14
CCC(C[NH2+]CC1=CC=CC=C1OCC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109222	0	55	0.0	-38.00	418.25	12.18	-25.82
CCC(C[NH2+]CC1CCCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109223	0	51	0.0	-41.00	358.92	11.18	-29.82
CCC(C[NH2+]CC1=CC=CC2=C1OC(C)(C)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109224	0	53	0.0	-40.02	398.86	11.61	-28.41
CCC(C[NH2+]CC1=C(Cl)C=NC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109225	0	41	0.0	-37.50	345.58	9.41	-28.09
CCC(C[NH2+]CC1=NC2=C(CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109226	0	48	0.0	-45.01	375.24	10.14	-34.87
CCC(C[NH2+]CC1=CC=NC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018109227	0	41	0.0	-47.66	337.56	9.20	-38.46
CCC(C[NH2+]CC1=CC=NC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109228	0	41	0.0	-48.28	333.96	9.10	-39.18
CCC(C[NH2+]CC(C)(C)N1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109229	0	54	0.0	-39.43	374.88	7.40	-32.03
CCC(C[NH2+]CC1=CC(F)=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109230	0	42	0.0	-44.61	350.12	11.15	-33.46
CCC([NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1)C1CCCC1	REAL300018109231	0	51	0.0	-33.36	346.33	10.80	-22.56
CCC(C[NH2+]CC1=NN(C)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109232	0	45	0.0	-46.35	349.07	8.57	-37.78
CCC(C[NH2+]C(C)CC1=CC=C(F)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109233	0	48	0.0	-43.21	370.44	12.58	-30.63
CCC(C[NH2+]CC1=CN(C)N=C1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109234	0	52	0.0	-51.39	406.02	11.56	-39.83
CCC1=NC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018109235	0	46	0.0	-50.01	359.67	8.98	-41.03
CCC(C[NH2+]CC1=CC=CC(N2C=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109236	0	49	0.0	-47.81	379.92	11.59	-36.22
CCN1C=NC=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109237	0	45	0.0	-44.27	338.33	10.52	-33.75
CCC(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018109238	0	47	0.0	-44.36	385.21	11.97	-32.39
CCC(C[NH2+]CC1=CN=C(C)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109239	0	45	0.0	-43.31	342.95	9.43	-33.88
CCC(C[NH2+]CC1=CC2=CC=NC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109240	0	47	0.0	-45.82	362.56	10.86	-34.96
CCC(C[NH2+]CC1=CC(C)=C(Br)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109241	0	42	0.0	-39.32	353.05	10.83	-28.49
CCC(C[NH2+]CC1=CC=CC2=NNC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109242	0	45	0.0	-53.14	352.83	9.09	-44.05
CCC(C[NH2+]CC1=CC=CC2=CNN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109243	0	45	0.0	-37.81	348.69	9.16	-28.65
CCC(C[NH2+]CC1=CN=C2CCCN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109244	0	46	0.0	-45.81	347.56	9.97	-35.84
CCC(C[NH2+]C1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109245	0	50	0.0	-50.25	376.14	6.23	-44.02
CCC(C[NH2+]CC1=CC=C(F)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109246	0	41	0.0	-38.82	322.93	8.65	-30.17
CCC(C[NH2+]CC1=C(C)N=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109247	0	41	0.0	-45.17	330.62	8.15	-37.02
CCC(C[NH2+]CC1=CC(F)=CC(OC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109248	0	46	0.0	-47.34	362.64	9.76	-37.58
CCC(C[NH2+]C(C)CC1=CN=CC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109249	0	46	0.0	-44.96	348.28	8.02	-36.94
CCC(C[NH2+]CC1=CN=C(C(C)(C)C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109250	0	52	0.0	-49.71	398.35	10.35	-39.36
CCC(C[NH2+]C1CCN(C2=CC=CC=C2OC)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109251	0	58	0.0	-40.80	427.63	10.32	-30.48
CCC(C[NH2+]CC1=CC=C(C)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109252	0	45	0.0	-35.02	356.52	11.58	-23.44
CCC(C[NH2+]CC1=CC(OC)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109253	0	50	0.0	-41.93	389.77	9.39	-32.54
CCC(C[NH2+]CC1=C(Cl)C=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109254	0	46	0.0	-41.78	378.69	10.44	-31.34
CCC(C[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109255	0	44	0.0	-56.85	367.39	11.43	-45.42
CCC(C[NH2+]CCC1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109256	0	45	0.0	-39.90	359.18	11.72	-28.18
CCC(C[NH2+]C1CCCC1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109257	0	52	0.0	-36.40	370.66	13.03	-23.37
CCC(C[NH2+]CC1=CC=C(OC2=CC=CN=C2)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109258	0	55	0.0	-45.31	424.71	12.10	-33.21
CCC(C[NH2+]CC1=CN=C(C2=CC=C(C)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109259	0	51	0.0	-46.24	413.15	12.09	-34.15
CCC(C[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109260	0	47	0.0	-37.36	378.88	11.52	-25.84
CCC(C[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109261	0	47	0.0	-34.35	375.30	11.33	-23.02
CCC(C[NH2+]CC1=CC=C(F)C2=CC=CN=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109262	0	47	0.0	-41.48	372.10	10.97	-30.51
CCC(C[NH2+]CC1=CC(F)=CC2=CC=CN=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109263	0	47	0.0	-38.24	368.60	11.08	-27.16
CCC(C[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109264	0	47	0.0	-40.87	380.95	11.36	-29.51
CCC(C[NH2+]CC1=CC=C(S(C)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109265	0	47	0.0	-57.23	374.33	8.96	-48.27
CCC(C[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109266	0	44	0.0	-44.88	363.33	11.58	-33.30
CCC(C[NH2+]CC1=CC=CN1CCC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109267	0	55	0.0	-40.80	408.99	12.85	-27.95
CCC(C[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109268	0	49	0.0	-47.17	397.14	12.53	-34.64
CCC(C[NH2+]CC1=CC=C(C2=CC=C(F)C=C2C)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109269	0	52	0.0	-40.86	408.75	13.03	-27.83
CCC1=CC=C(C2=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300018109270	0	55	0.0	-44.18	429.85	13.72	-30.46
CCC(C[NH2+]CC1=CC=C(OC)C=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109271	0	50	0.0	-46.09	394.07	9.33	-36.76
CCC1CC([NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)CCO1	REAL300018109272	0	49	0.0	-39.65	358.70	8.98	-30.67
CCC(C[NH2+]C1CCOC(C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109273	0	52	0.0	-38.14	373.62	9.50	-28.64
CCN1C=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300018109274	0	55	0.0	-48.42	423.25	12.49	-35.93
CCC(C[NH2+]CC1=CC=C2CCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109275	0	52	0.0	-39.17	384.25	12.88	-26.29
CCC(C[NH2+]C1CCC(C2CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109276	0	61	0.0	-34.72	409.89	13.59	-21.13
CCC(C[NH2+]C(C)CC(C)CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109277	0	56	0.0	-38.82	397.83	11.93	-26.89
CCC(C[NH2+]CC(C)C1=CC=C(C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109278	0	51	0.0	-41.24	384.14	12.37	-28.87
CCC(C[NH2+]CC1=CC=C(OC)C(C(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109279	0	58	0.0	-40.93	422.22	12.38	-28.55
CCC(C[NH2+]CC1=CC=C(COC)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109280	0	46	0.0	-47.24	363.03	8.42	-38.82
CCC(C[NH2+]CC1=CC=CC(OC(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109281	0	55	0.0	-42.13	401.95	11.52	-30.61
CCC(C[NH2+]CC(C)C1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109282	0	54	0.0	-37.14	376.68	11.87	-25.27
CCC(C[NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109283	0	47	0.0	-55.94	380.90	5.36	-50.58
CCC(CC)(CC)C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109284	0	53	0.0	-36.15	360.94	10.96	-25.19
CCC(C[NH2+]C1CCC2=CC=CC(Cl)=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109285	0	49	0.0	-39.20	372.93	12.36	-26.84
CCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018109286	0	52	0.0	-45.13	392.89	11.24	-33.89
CCC(C[NH2+]CC1=CC=C(C)C=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109287	0	49	0.0	-35.85	371.96	10.49	-25.36
CCC(C[NH2+]CC1CCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109288	0	52	0.0	-41.92	380.36	12.86	-29.06
CCC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300018109289	0	44	0.0	-43.19	364.02	9.58	-33.61
CCC(C[NH2+]C1CCC(C2=CC=C(F)C=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109290	0	52	0.0	-40.20	387.21	12.83	-27.37
CCC(C[NH2+]CC1=C(C)N=C(C)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109291	0	44	0.0	-45.39	340.46	6.62	-38.77
CCC(C[NH2+]CC1=CC(COC)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109292	0	46	0.0	-41.06	367.93	9.30	-31.76
CCCC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018109293	0	48	0.0	-40.70	381.81	11.86	-28.84
CCC(C[NH2+]CC1=NC=CN1C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109294	0	48	0.0	-37.10	362.41	10.21	-26.89
CCC(C[NH2+]CC1=CC=CC([N+](=O)[O-])=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109295	0	47	0.0	-51.14	364.34	11.51	-39.63
CCC(C[NH2+]CC1=CC=C(Br)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109296	0	45	0.0	-46.19	366.22	11.58	-34.61
CCC(C[NH2+]CC1=CC=C(Cl)C(OC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109297	0	46	0.0	-49.01	372.26	10.24	-38.77
CCC(C[NH2+]CC1=CSC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109298	0	42	0.0	-43.20	338.58	10.14	-33.06
CCC(C[NH2+]CC1=C(C)C=CC=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109299	0	49	0.0	-37.85	365.85	10.31	-27.54
CCC(C[NH2+]CC1=C2OC=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109300	0	45	0.0	-38.72	349.75	10.79	-27.93
CCC(C[NH2+]CC1=NN(C2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109301	0	49	0.0	-43.80	385.61	11.52	-32.28
CCC(C[NH2+]CC1=CN=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109302	0	41	0.0	-50.39	352.79	8.81	-41.58
CCC1=NN(C)C=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109303	0	48	0.0	-46.17	370.65	9.53	-36.64
CCC(C[NH2+]CC1=NN2CCCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109304	0	49	0.0	-41.63	371.32	9.73	-31.90
CCC1=CC=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018109305	0	48	0.0	-39.22	364.44	11.83	-27.39
CCC(C[NH2+]CC1=CN=C(OC)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109306	0	42	0.0	-44.48	339.92	6.08	-38.40
CCC(C[NH2+]C1CC2=CC=C(Cl)C=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109307	0	46	0.0	-40.97	360.07	11.97	-29.00
CCC(C[NH2+]C1CCC2(CC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109308	0	49	0.0	-35.16	352.71	11.14	-24.02
CCC(C[NH2+]CC1=CC2=C(C=N1)OCCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109309	0	47	0.0	-48.31	366.14	7.75	-40.56
CCC(C[NH2+]CC1=CN=C2C=CC(Cl)=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109310	0	45	0.0	-45.47	365.11	11.34	-34.13
CCC(C[NH2+]C1C[C@@H]2CC[C@@H](C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109311	0	49	0.0	-35.43	337.22	10.57	-24.86
CCC(C[NH2+]CC1=CN=C2C(C)=CC=CN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109312	0	48	0.0	-52.10	375.01	11.43	-40.67
CCN1N=CN=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109313	0	44	0.0	-41.73	333.24	9.51	-32.22
CCC(C[NH2+]CC1=CN=C(Cl)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109314	0	42	0.0	-47.81	337.89	9.25	-38.56
CCC(C[NH2+]CC1=CN=C(Br)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109315	0	42	0.0	-47.79	342.18	9.27	-38.52
CCC(C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109316	0	48	0.0	-43.00	380.87	10.29	-32.71
CCC(C[NH2+]CC1=CC(C(F)(F)F)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109317	0	42	0.0	-52.91	347.77	7.74	-45.17
CCC(C[NH2+]CC1=NC=C(C)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109318	0	45	0.0	-50.05	347.02	9.24	-40.81
CCC(C[NH2+]CC1=CC2=C(F)C=CC=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109319	0	46	0.0	-48.33	360.80	10.49	-37.84
CCC(C[NH2+]CC1=CC2=CC=C(F)C=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109320	0	46	0.0	-46.84	360.70	10.48	-36.36
CCOC1=CC=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300018109321	0	48	0.0	-45.49	371.43	8.07	-37.42
CCC(C[NH2+]CC1=CC=CC(Cl)=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109322	0	45	0.0	-43.41	355.57	11.45	-31.96
CCC(C[NH2+]CC1=CC2=CC=NC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109323	0	44	0.0	-46.97	354.53	10.22	-36.75
CCC(C[NH2+]CC1=CN=C2C=CC=C(C)N12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109324	0	48	0.0	-50.37	363.56	11.20	-39.17
CCC(C[NH2+]C(C)CCC1=NNC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109325	0	54	0.0	-48.87	410.78	11.13	-37.74
CCC([NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1)C1CC1(C)C	REAL300018109326	0	51	0.0	-37.12	356.37	11.15	-25.97
C=CCCCCCC(C)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109327	0	54	0.0	-39.61	401.08	12.39	-27.22
C=CCCCCC(C)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109328	0	51	0.0	-39.76	379.58	11.61	-28.15
CCC(C[NH2+]CC1=CC(C)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109329	0	45	0.0	-43.97	364.86	11.56	-32.41
CCC(C[NH2+]CC1=CC=C(COC)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109330	0	49	0.0	-44.95	381.78	10.13	-34.82
CCC(C[NH2+]C(COC)CC(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109331	0	54	0.0	-36.18	385.90	9.88	-26.30
CCC(C[NH2+]CC1=CC2=CC=CC(F)=C2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109332	0	47	0.0	-53.54	368.97	10.83	-42.71
CCC(C[NH2+]CC1=CC2=CC=CN=C2C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109333	0	50	0.0	-48.95	387.96	11.59	-37.36
CCC(C[NH2+]C1CCCC(C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109334	0	54	0.0	-36.12	375.81	11.52	-24.60
CCC(C[NH2+]CC1=C(C)N=NS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109335	0	40	0.0	-51.43	325.88	7.55	-43.88
CCCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300018109336	0	55	0.0	-40.96	414.49	12.16	-28.80
CCC(C[NH2+]CC1=NC=C(C)C(OC)=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109337	0	51	0.0	-45.07	389.18	9.20	-35.87
CCC(C[NH2+]CC1=CC2=CC=CC=C2C=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109338	0	52	0.0	-41.27	400.55	12.03	-29.24
CCC(C[NH2+]C1CCCCC12CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109339	0	55	0.0	-33.36	368.43	12.28	-21.08
CCC1CCCC([NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C1	REAL300018109340	0	51	0.0	-37.18	355.74	11.17	-26.01
CCC(C[NH2+]CC1=CC=C(S(C)(=O)=O)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109341	0	45	0.0	-57.07	379.80	7.08	-49.99
CCC(C[NH2+]CC1=CC=CC(F)=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300018109342	0	44	0.0	-44.58	342.67	8.53	-36.05
CCC(C[NH2+]C1CCN(CC2=CC=CC=C2)C(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109343	1	60	0.0	-42.50	435.91	11.59	-30.91
CCC(C[NH2+]CC1=CC=C(C(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109344	0	45	0.0	-45.49	354.30	11.24	-34.25
CCC(C[NH2+]CC1=CC2=CC(Cl)=CN=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109345	0	44	0.0	-47.88	366.13	8.37	-39.51
CCC(C[NH2+]CC1=CC=CC2=C1CCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109346	0	49	0.0	-42.67	370.93	12.22	-30.45
CCC(C[NH2+]CC1=CN(C)N=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018109347	0	44	0.0	-46.20	350.59	9.85	-36.35
CCC(C[NH2+]CC1=NC(Cl)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109348	0	38	0.0	-43.14	328.48	7.96	-35.18
CCC(C[NH2+]CC1=CC(OC)=NS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109349	0	42	0.0	-49.38	344.03	6.31	-43.07
CCC(C[NH2+]CC1=NC=CC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109350	0	47	0.0	-37.51	359.29	10.68	-26.83
CCC(C[NH2+]CC1=C(Cl)C=CC=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109351	0	46	0.0	-36.57	368.94	10.17	-26.40
CCC(C[NH2+]CC1=CN=C(C)N1C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109352	0	52	0.0	-44.82	405.75	12.66	-32.16
CCC(C[NH2+]CC1=C(C)N(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109353	0	45	0.0	-44.40	346.32	8.66	-35.74
CCCN1N=C(C)C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018109354	0	54	0.0	-47.49	411.92	10.79	-36.70
CCN(CC)C1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018109355	0	56	0.0	-49.33	427.19	11.56	-37.77
CCOC1CC([NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C12CCCC2	REAL300018109356	0	56	0.0	-40.69	404.83	11.69	-29.00
CCC(C[NH2+]CC1=CC(OC)=C(OC)C=C1SC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109357	0	54	0.0	-42.41	421.03	10.53	-31.88
CCC(C[NH2+]C1CCN(C2=CC=C(N(C)C)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109358	0	62	0.0	-43.60	445.28	11.09	-32.51
CCC(C[NH2+]C(C)CCC1=CC=CC=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018109359	0	53	0.0	-41.53	396.87	12.98	-28.55
CCC(C[NH2+]C1CC2CCC(C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109360	0	49	0.0	-36.48	319.70	11.14	-25.34
CCC(C[NH2+]C1CCCC12CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109361	0	52	0.0	-35.00	359.18	11.85	-23.15
CCCC(C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300018109362	0	54	0.0	-38.81	399.66	13.01	-25.80
CCC(C[NH2+]C1CC(C)CC(C2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109363	0	58	0.0	-40.74	423.70	13.83	-26.91
CCC(C[NH2+]CC1=CN=C(C2CC2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109364	0	45	0.0	-46.30	355.44	7.70	-38.60
CCC(C[NH2+]CC1=CC(F)=CC=C1OC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109365	0	52	0.0	-40.62	401.04	11.37	-29.25
CCC(C[NH2+]C1CC(C(C)(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109366	0	51	0.0	-37.99	361.35	10.92	-27.07
CCC(C[NH2+]CC1=NC2=CC=C(F)C=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109367	0	44	0.0	-43.74	359.64	9.92	-33.82
CCC(C[NH2+]CC1=CC(F)=CC=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109368	0	46	0.0	-42.87	366.71	10.18	-32.69
CCC(C[NH2+]CC1=CC2=CC=CC=C2C(OC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109369	0	52	0.0	-43.04	396.03	12.00	-31.04
CCOC1=CN=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018109370	0	48	0.0	-48.01	373.00	8.80	-39.21
CCOC1=CC(F)=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018109371	0	49	0.0	-43.86	380.18	10.76	-33.10
CCC(C[NH2+]CC(C)C1=CC=C(OC)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109372	0	52	0.0	-43.06	387.61	10.94	-32.12
CCC(C[NH2+]CC1=CC(C2CC2)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109373	0	49	0.0	-46.16	374.73	10.12	-36.04
CCC(C[NH2+]C1CCC2(CCCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109375	0	58	0.0	-38.63	394.17	12.25	-26.38
CCC(C[NH2+]C(C)C(C)C1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109376	0	51	0.0	-38.67	371.08	12.00	-26.67
CCC(C[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109377	0	50	0.0	-45.73	379.87	11.46	-34.27
CCC(C[NH2+]C1CN(CC2=CC=CC=C2)CC1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109378	0	57	0.0	-40.79	419.40	11.05	-29.74
CCC(C[NH2+]CC1=CC=CC2=C(OC)C=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109379	0	52	0.0	-43.06	391.76	11.96	-31.10
CCC(C[NH2+]CC1=CC=NN1CC1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109380	0	49	0.0	-47.28	377.11	10.47	-36.81
CCC(C[NH2+]C(C)CCC1=CC=CN=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109381	0	50	0.0	-42.94	378.51	10.73	-32.21
CCC(C[NH2+]CC1=CC=CC(C(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109382	0	51	0.0	-42.97	386.94	12.31	-30.66
CCC(C[NH2+]CC1=CC=C(S(N)(=O)=O)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109383	0	44	0.0	-59.23	364.07	3.54	-55.69
CCC(C[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109384	0	53	0.0	-39.23	400.42	13.42	-25.81
CCC(C[NH2+]C1CCC2(CCOCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109385	0	56	0.0	-43.08	385.72	9.91	-33.17
CCC(C[NH2+]CC1=CN=CC(OC)=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109386	0	48	0.0	-43.91	360.92	8.64	-35.27
CCC(C[NH2+]CC1=CC=CC(Cl)=C1N)(C(=O)[O-])C1=CC=CC=C1	REAL300018109387	0	44	0.0	-40.79	347.29	9.08	-31.71
CCC1=CNC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300018109388	0	45	0.0	-50.41	349.49	8.46	-41.95
CCC(C[NH2+]CCC1=CC=C(F)C=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109389	0	45	0.0	-42.63	362.52	11.67	-30.96
CCC(C[NH2+]CC1=CC2=CN=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109390	0	44	0.0	-47.89	349.33	9.19	-38.70
CCC(C[NH2+]CC1=CC=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109391	0	42	0.0	-49.37	357.58	10.70	-38.67
CCC(C[NH2+]CC1=CC2=C(C)C=CC=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109392	0	49	0.0	-44.86	375.25	11.06	-33.80
CCOC1CCC([NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018109393	0	52	0.0	-34.70	373.53	9.95	-24.75
CCC(C[NH2+]CC1=CSC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109394	0	42	0.0	-49.61	357.34	10.54	-39.07
CCCOC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018109395	0	55	0.0	-40.88	410.03	12.13	-28.75
CCC(C[NH2+]CC1=NC(C)=C(C)N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109396	0	45	0.0	-43.79	347.81	8.25	-35.54
CCC(C[NH2+]CC1=CC=C(OC)C(OC2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109397	0	54	0.0	-49.71	416.51	11.26	-38.45
CCC(C[NH2+]C1CCC2(CCCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109398	0	55	0.0	-38.50	383.53	11.92	-26.58
CCC(C[NH2+]CC1=CC=C(C(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109399	0	44	0.0	-50.88	356.13	9.47	-41.41
CCC(C[NH2+]C1CCC2=CC=CC=C2CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109400	0	52	0.0	-36.75	372.88	12.39	-24.36
CCC(C[NH2+]CC1=NC=C(Br)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109401	0	38	0.0	-46.43	333.20	8.27	-38.16
CCC(C[NH2+]C1CCC(C)(CC)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109402	0	54	0.0	-39.82	373.81	11.15	-28.67
CCC(C[NH2+]C1CCCC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109403	0	52	0.0	-35.61	372.35	12.43	-23.18
CCC(C[NH2+]CC1=CN(C)N=C1C(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109404	0	45	0.0	-38.14	354.52	9.15	-28.99
CCC(C[NH2+]C(C)C1CCCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109405	0	54	0.0	-37.41	365.53	11.58	-25.83
CCC(C[NH2+]C(C)C1=CC=C(C2=CC=CC=C2)C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109406	0	54	0.0	-42.82	407.84	12.82	-30.00
CCC(C[NH2+]C1CCC(CC)(CC)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109407	0	57	0.0	-36.66	381.96	11.66	-25.00
CCC(C[NH2+]CC1=CC=CC2=C1CCOC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109408	0	50	0.0	-45.91	373.55	10.35	-35.56
CCC(C[NH2+]CC1CC1C1=CC=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109409	0	49	0.0	-42.33	376.42	12.61	-29.72
CCC(C[NH2+]C(C)CC1=COC2=CC=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109410	0	51	0.0	-36.83	384.67	12.10	-24.73
CCC(C[NH2+]CC1=CC=CC(S(N)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109411	0	47	0.0	-57.61	380.89	5.35	-52.26
CCCN1N=CC=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109412	0	48	0.0	-46.82	365.92	9.67	-37.15
CCC(C[NH2+]CC1=CC2=CC=C(C)C=C2N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109413	0	49	0.0	-44.80	375.66	11.07	-33.73
CCC(C[NH2+]CC1=C2CCCN2N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109414	0	46	0.0	-48.84	353.19	9.00	-39.84
CCC(C[NH2+]CC1=NN2CCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109415	0	46	0.0	-39.08	348.10	8.91	-30.17
CCC(C[NH2+]CC1=NC=C(C(F)(F)F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109416	0	41	0.0	-48.44	352.07	8.71	-39.73
CCC(C[NH2+]CC1=CC=CC(F)=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109417	0	46	0.0	-45.48	365.76	10.11	-35.37
CCC(C[NH2+]CC1=C(C)C=CC([N+](=O)[O-])=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109418	0	50	0.0	-54.76	383.39	11.94	-42.82
CCC(C[NH2+]C1CCCCC(C2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109419	0	58	0.0	-39.23	410.43	13.65	-25.58
CCC(C[NH2+]C1CCC(C(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109420	0	51	0.0	-37.08	363.22	11.16	-25.92
CCC(C[NH2+]CC1=CC2=CC=CN=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109421	0	44	0.0	-44.11	344.20	7.87	-36.24
CCC(C[NH2+]CC1=CC=C(C2=CC(C)=CC(C)=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109422	0	58	0.0	-46.09	443.74	15.13	-30.96
CCC(C[NH2+]C1CCCC1C1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109423	0	52	0.0	-36.96	396.47	13.19	-23.77
CCC(C[NH2+]CC1=CC=C(N2C=NC=N2)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109424	0	51	0.0	-51.13	401.10	13.93	-37.20
CCC(C[NH2+]C1CCCC(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109425	0	51	0.0	-38.30	354.95	10.77	-27.53
CCC1CCCC([NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018109426	0	54	0.0	-39.57	375.63	11.42	-28.15
CCC(C[NH2+]C1CCCC(C)(C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109427	0	54	0.0	-36.31	360.57	11.04	-25.27
CCC(C[NH2+]C1CCCC(C(C)(C)C)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109428	0	60	0.0	-37.08	404.07	12.23	-24.85
CCC(C[NH2+]C1CCN(C)C(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109429	1	50	0.0	-36.62	346.53	7.55	-29.07
CCC(C[NH2+]CC1=CC2=CC(F)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109430	0	45	0.0	-42.94	355.85	10.99	-31.95
CCC(C[NH2+]CC1=CC=C(OCC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109431	0	49	0.0	-51.38	391.09	10.94	-40.44
CCC(C[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109432	0	49	0.0	-49.50	390.57	8.70	-40.80
CCC(C[NH2+]CC1=CC=C(OC)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018109433	0	46	0.0	-39.50	372.47	10.23	-29.27
CCC(C[NH2+]CC1=CC=CC(COC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109434	0	49	0.0	-40.98	376.62	10.12	-30.86
CCC(C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109435	0	52	0.0	-45.86	417.55	12.79	-33.07
CCC(C[NH2+]CC1=CSC(CN(C)C)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109436	0	49	0.0	-42.62	384.96	7.16	-35.46
CCC(C[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109437	0	53	0.0	-47.35	427.31	14.49	-32.86
CCC(C[NH2+]CC1=CC(C)=C(C)C=C1OC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109438	0	52	0.0	-40.10	398.64	11.32	-28.78
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109439	0	59	0.0	-40.73	426.66	11.34	-29.39
CCC(C[NH2+]CCC1=CC=C(C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109440	0	48	0.0	-38.90	363.75	11.87	-27.03
CCCCC(C)C(C)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109441	0	53	0.0	-35.75	375.30	11.46	-24.29
CCC(C[NH2+]CC1=CC(OC)=C(OC)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109442	0	53	0.0	-44.88	395.91	10.28	-34.60
CCC(C[NH2+]CC1=CC=CC=C1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109443	0	49	0.0	-38.32	364.59	12.39	-25.93
CCC(C[NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])(C(=O)[O-])C1=CC=CC=C1	REAL300018109444	0	44	0.0	-37.99	381.34	12.39	-25.60
CCC(C[NH2+]CC1=CC(Br)=C(C)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109445	0	42	0.0	-40.63	355.00	10.97	-29.66
CCC(C[NH2+]CCC1=CC=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109446	0	45	0.0	-47.12	360.09	11.27	-35.85
CCC(C[NH2+]CCC1=CC(C)=CC(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109447	0	51	0.0	-38.78	385.16	12.52	-26.26
CCC(C[NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109448	0	49	0.0	-50.20	394.34	10.76	-39.44
CCC(C[NH2+]C1CCCCC1C1=CC=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109449	0	55	0.0	-37.09	410.26	13.63	-23.46
CCC(C[NH2+]C(C)CC1=CC=C(OC)C(OC)=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109450	0	59	0.0	-41.79	436.48	11.44	-30.35
CCC(C[NH2+]CC1=CN(C2=CC=C(OC)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109451	0	53	0.0	-48.68	409.87	10.91	-37.77
CCC(C[NH2+]C(C)CCC1=CSC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109452	0	48	0.0	-39.13	369.39	11.46	-27.67
CCC(C[NH2+]C(C)COC1=CC=C(CCOC)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109453	0	59	0.0	-44.42	442.87	11.17	-33.25
CCC(C[NH2+]CC1=CN(C2=CC=CC=C2Cl)N=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109454	0	52	0.0	-49.73	417.31	12.89	-36.84
CCC(C[NH2+]CC1=C(F)C=NC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018109455	0	41	0.0	-36.47	340.26	9.14	-27.33
CCC(C[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109456	0	55	0.0	-45.05	413.14	13.96	-31.09
CCC(C[NH2+]CC1=CNN=C1C1=CSC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109457	0	46	0.0	-43.02	369.26	9.32	-33.70
CCC(C[NH2+]CC1=CC(C2=CC=CC=N2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109458	0	48	0.0	-48.69	377.74	8.63	-40.06
CCC(C[NH2+]C(C)CC1=CN(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109459	0	48	0.0	-40.52	359.98	9.50	-31.02
CCC(C[NH2+]CC1=CN=C2C(=C1)C=NN2C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109460	0	47	0.0	-55.12	371.03	9.53	-45.59
CCC(C[NH2+]C(C)CCC1=CC=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109461	0	51	0.0	-41.18	395.55	12.62	-28.56
CCC(C[NH2+]CC1=C(Cl)C=CC=C1SC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109462	0	52	0.0	-32.91	410.64	13.09	-19.82
CCC(C[NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109463	1	62	0.0	-39.71	444.19	12.57	-27.14
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109464	0	54	0.0	-41.91	418.40	13.35	-28.56
CCC(C[NH2+]C(COC)CC1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109465	0	56	0.0	-40.03	405.00	8.57	-31.46
CCC(C[NH2+]CCCC1=CN(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109466	0	48	0.0	-49.03	372.55	9.73	-39.30
CCC(C[NH2+]C1CCCC1C1=CC=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018109467	0	52	0.0	-39.03	398.55	13.09	-25.94
CCC(C[NH2+]CC1=CN=C(N2CCN(C)CC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109468	0	57	0.0	-47.60	424.20	8.70	-38.90
CCC(C[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109469	0	53	0.0	-38.56	410.73	13.87	-24.69
CCC(C[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109470	0	55	0.0	-43.32	417.51	11.96	-31.36
CCC(C[NH2+]CC1=NC2=C(CC(C)CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109471	0	51	0.0	-41.19	390.87	10.74	-30.45
CCC1=CN=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018109472	0	44	0.0	-40.91	354.90	9.12	-31.79
CCC(C[NH2+]CC1=CC=C(F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109473	0	41	0.0	-50.86	327.98	8.55	-42.31
CCC(C[NH2+]CC1=CC=CC=C1N1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109474	0	57	0.0	-34.35	414.97	12.51	-21.84
CCC(C[NH2+]C1CCC2COCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109475	0	53	0.0	-40.51	363.62	9.82	-30.69
CCC(C[NH2+]C1CC2(C1)COC(C)(C)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109476	0	53	0.0	-42.87	390.75	9.96	-32.91
CCC(C[NH2+]C1CC2(C1)COC(C)C2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109477	0	50	0.0	-42.60	365.21	9.24	-33.36
CCC(C[NH2+]C1CCOC2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109478	0	50	0.0	-38.40	366.17	10.65	-27.75
CCC(C[NH2+]C1CCCC2=C(C=CS2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109479	0	49	0.0	-40.47	370.57	11.58	-28.89
CCC(C[NH2+]CC1=C2C(=CC=C1)N=CN2C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109480	0	48	0.0	-48.86	365.12	11.64	-37.22
CCC(C[NH2+]CC1=CC(OC)=CC=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109481	0	49	0.0	-42.36	371.03	10.31	-32.05
CCC(C[NH2+]CC1=NOC(C2CCC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109482	0	48	0.0	-41.67	371.87	10.64	-31.03
CCC(C[NH2+]CC1=NOC(C2(C)CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109483	0	48	0.0	-37.72	369.13	10.54	-27.18
CCC1=CC=CC=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109484	0	48	0.0	-37.86	355.89	11.76	-26.10
CCC(C[NH2+]CC1=CC(C)=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109485	0	45	0.0	-44.79	354.54	11.13	-33.66
CCC(C[NH2+]CC1=CC=C(C)C(C)=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109486	0	51	0.0	-38.88	371.93	12.20	-26.68
CCC(C[NH2+]CC1=CC=CC=C1C(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109487	0	54	0.0	-36.07	372.66	12.64	-23.43
CCC(C[NH2+]CC1=CN=C2CCCCCN12)(C(=O)[O-])C1=CC=CC=C1	REAL300018109488	0	52	0.0	-45.58	382.73	10.78	-34.80
CCC(C[NH2+]CC1=CC2=CC(OC)=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109489	0	49	0.0	-47.43	393.65	11.22	-36.21
CCC(C[NH2+]CC1=CON=C1C1CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109490	0	45	0.0	-46.05	349.71	10.00	-36.05
CCC(C[NH2+]CC1=CC(C2=CC=CC=C2)=NO1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109491	0	48	0.0	-50.06	381.69	11.56	-38.50
CCN1CCC2=CC(C[NH2+]CC(CC)(C(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300018109492	0	54	0.0	-44.89	406.01	11.02	-33.87
CCC(C[NH2+]C1CCC2(COC(C)(C)C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109493	0	59	0.0	-40.57	414.11	10.71	-29.86
CCC(C[NH2+]CC1=CC=C(SC)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109494	0	46	0.0	-46.10	376.78	11.86	-34.24
CCC(C[NH2+]CC1=CC=C(C2CC2)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109495	0	52	0.0	-40.21	389.44	13.09	-27.12
CCC(C[NH2+]C1CCCC2=C(C=CC=C2OC)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109496	0	56	0.0	-37.50	400.24	11.80	-25.70
CCOC1=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300018109497	0	48	0.0	-46.19	370.50	8.03	-38.16
CCC(C[NH2+]CC1=CC=C(C)C(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109498	0	52	0.0	-39.07	388.59	13.01	-26.06
CCC(C[NH2+]CC1=CC=C(N2C=CC(C)=N2)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109499	0	55	0.0	-46.12	417.50	12.86	-33.26
CCC(C[NH2+]CC1=CC=C(N2C=C(Cl)C=N2)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109500	0	52	0.0	-48.02	417.01	12.70	-35.32
CCC(C[NH2+]CC1=CC=C(N2C=C(Cl)C(C)=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109501	0	52	0.0	-45.81	417.75	12.70	-33.11
CCC(C[NH2+]C1CCCC1CC(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109502	0	54	0.0	-34.29	377.40	12.19	-22.10
CCC(C[NH2+]C1CC(C2CCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109503	0	49	0.0	-35.77	357.52	11.41	-24.36
CCC(C[NH2+]CC1=CN=C(C2CCOCC2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109504	0	52	0.0	-46.07	394.69	6.93	-39.14
CCC(C[NH2+]CC1=NOC(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109505	0	45	0.0	-47.97	355.28	10.12	-37.85
CCC(C[NH2+]CC1=CC=C2OC(C)C(C)C2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109506	0	53	0.0	-43.14	394.96	11.50	-31.64
CCC(C[NH2+]CC1=CC=C(C)C(OC(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109507	0	49	0.0	-39.08	380.88	10.72	-28.36
CCC(C[NH2+]CC1=CC(C(C)C)=CC=C1O)(C(=O)[O-])C1=CC=CC=C1	REAL300018109508	0	52	0.0	-42.24	394.60	9.70	-32.54
CCC(C[NH2+]CC1=C(C)C(C(F)(F)F)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109509	0	45	0.0	-48.15	359.27	8.34	-39.81
CCC(C[NH2+]C1CCC2(CCC2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109510	0	52	0.0	-38.32	369.44	11.40	-26.92
CCC(C[NH2+]CC1=CC=C(C)C(O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109511	0	46	0.0	-40.51	352.65	8.28	-32.23
CCC(C[NH2+]CC1=NC(C2CC2)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109512	0	45	0.0	-41.41	362.35	9.61	-31.80
CCC(C[NH2+]CC1=CN(CC2CC2)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109513	0	48	0.0	-54.67	376.25	9.29	-45.38
CCC(C[NH2+]CC1=CC=C2CCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109514	0	47	0.0	-47.57	362.58	10.24	-37.33
CCC(C[NH2+]CC1=NC2=C(CCCC2)N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109515	0	49	0.0	-50.16	369.66	9.46	-40.70
CCC(C[NH2+]CC1=CC=C2COCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109516	0	50	0.0	-45.91	380.43	10.48	-35.43
CCC(C[NH2+]CC1=C(C)C=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109517	0	45	0.0	-38.11	349.04	10.93	-27.18
CCC(C[NH2+]CC1=CC=CC=C1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109518	0	52	0.0	-38.40	380.97	12.85	-25.55
CCC(C[NH2+]CC1=CN(C)N=C1C1CCOCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109519	0	56	0.0	-45.83	420.19	9.62	-36.21
CCC(C[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109520	0	50	0.0	-47.81	386.70	10.32	-37.49
CCC(C[NH2+]C1CC(COCC2=CC=CC=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109521	0	56	0.0	-40.80	428.88	12.40	-28.40
CCC(C[NH2+]CC1=CC=CC(SC)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109522	0	46	0.0	-46.29	366.94	11.41	-34.88
CCC(C[NH2+]CC1=CC=NN1C(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109523	0	51	0.0	-44.66	373.83	10.03	-34.63
CCC(C[NH2+]C1CCC2=CC(Cl)=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109524	0	49	0.0	-43.35	380.75	12.45	-30.90
CCC(C[NH2+]C1CC2C(C1)C2(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109525	0	49	0.0	-38.33	354.84	10.95	-27.38
CCC(C[NH2+]CC1=C(C(C)C)C=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109526	0	51	0.0	-42.48	383.70	9.88	-32.60
CCC([NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1)C(C)CC1=CC=CC=C1	REAL300018109527	0	57	0.0	-38.98	406.76	13.30	-25.68
CCN1C=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300018109528	0	45	0.0	-37.96	345.95	8.97	-28.99
CCC(C[NH2+]CC1=CC=C(CC2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109529	0	49	0.0	-40.27	387.61	12.72	-27.55
CCC(C[NH2+]CC1=CC=C(OC2CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109530	0	50	0.0	-46.84	387.26	11.36	-35.48
CCC(C[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109531	0	46	0.0	-39.53	373.96	10.28	-29.25
CCC(C[NH2+]CC1=CC=C(N2C=CN=C2C)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109532	0	55	0.0	-51.14	421.30	13.48	-37.66
CCC(C[NH2+]CC1=CC=C(N2C=NC(C)=C2C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109533	0	55	0.0	-48.74	418.54	14.03	-34.71
CCC(C[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109534	0	56	0.0	-43.37	421.68	14.42	-28.95
CCC(C[NH2+]CC1=C(C)C2=CC(F)=CC=C2O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109536	0	48	0.0	-46.09	377.10	11.69	-34.40
CCC(C[NH2+]C(C)CC1=CC=C(Cl)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109537	0	48	0.0	-46.44	380.84	12.51	-33.93
CCC(C[NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109538	0	52	0.0	-48.13	401.62	11.51	-36.62
CCCN1C=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=N1	REAL300018109539	0	48	0.0	-41.50	372.62	9.73	-31.77
CCC(C[NH2+]CC1=NN(C(C)C)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109540	0	48	0.0	-37.56	364.64	9.49	-28.07
CCC(C[NH2+]CC1=CN=CC(C(C)(C)C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109541	0	53	0.0	-41.25	392.95	10.89	-30.36
CCC(C[NH2+]CC1=NN(CC(F)(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109542	0	45	0.0	-40.67	363.83	9.47	-31.20
CCC(C[NH2+]CC1=NC2=C(CCCC2)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109543	0	52	0.0	-42.75	389.43	11.07	-31.68
CCC(C[NH2+]CC1=CN(C)N=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109544	0	45	0.0	-40.94	359.18	9.25	-31.69
CCC(C[NH2+]CC1=CC2=CC=CC=C2C=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109545	0	47	0.0	-37.69	362.71	10.82	-26.87
CCC(C[NH2+]CC1=CC=C(C)C(OC)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109546	0	48	0.0	-42.37	374.02	7.79	-34.58
CCC(C[NH2+]CC1=CC=CC(C(F)F)=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109547	0	45	0.0	-40.00	358.23	11.34	-28.66
CCC(C[NH2+]CC1=CC=CC2=C1COCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109548	0	50	0.0	-41.32	368.29	10.39	-30.93
CCOC1=CC=C(Cl)C=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109549	0	49	0.0	-40.22	393.44	11.18	-29.04
CCC(C[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109550	0	49	0.0	-51.83	384.03	10.32	-41.51
CCC(C[NH2+]CC1=CC2=C(CCCC2)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109551	0	49	0.0	-42.70	371.00	11.23	-31.47
CCC(C)N1N=CC=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109552	0	51	0.0	-46.64	388.03	10.17	-36.47
CCC(C[NH2+]CC1=CN(C2CCCCC2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109553	0	55	0.0	-40.81	406.20	11.44	-29.37
CCC(C[NH2+]C1CC2CCCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109554	0	52	0.0	-41.27	371.15	11.63	-29.64
CCC(C[NH2+]CC1=CC=CC(C(C)(C)C)=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109555	0	58	0.0	-40.54	414.91	12.11	-28.43
CCC(C[NH2+]CC1=NC(Br)=CN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109556	0	42	0.0	-50.23	342.92	9.26	-40.97
CCC(C[NH2+]CC1=CN=C(OC)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109557	0	48	0.0	-42.73	363.81	7.71	-35.02
CCC(C[NH2+]CC1=NC2=CC=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109558	0	44	0.0	-40.49	354.07	9.93	-30.56
CCC(C[NH2+]C1CC(C2=CC=CC(OC)=C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109559	0	53	0.0	-43.31	393.07	11.50	-31.81
CCC(C[NH2+]C1CC(C2=NC(C)=NO2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109560	0	47	0.0	-43.69	364.10	7.81	-35.88
CCC(C[NH2+]C1CC(C2CCOCC2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109561	0	53	0.0	-41.91	388.04	10.14	-31.77
CCCN1C=NC=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109562	0	48	0.0	-44.83	364.99	11.28	-33.55
CCC(C[NH2+]CC=CC1=CC=C2OCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109563	0	49	0.0	-48.78	383.83	10.35	-38.43
CCC(C[NH2+]CC1=CC=C(CC2CCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109564	0	55	0.0	-39.18	411.95	13.94	-25.24
CCC(C[NH2+]C(C)CC1=CC=C(OC)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109565	0	55	0.0	-36.37	401.36	11.48	-24.89
CCC1=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=NN1CC	REAL300018109566	0	51	0.0	-43.05	381.26	10.37	-32.68
CCC(C[NH2+]CC1=C(C)OC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109567	0	45	0.0	-34.50	360.90	10.18	-24.32
CCC(C[NH2+]CC1=CC=CC(C(C)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109568	0	48	0.0	-48.76	379.93	11.92	-36.84
CCC(C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109569	0	48	0.0	-47.94	389.65	11.17	-36.77
CCC(C[NH2+]CC1=CNN=C1C1=CN(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109570	0	49	0.0	-45.61	387.08	8.09	-37.52
CCC(C[NH2+]C(C)CCC1=CC=C(OC)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109571	0	58	0.0	-41.53	424.23	12.29	-29.24
CCC(C[NH2+]C1CC2CCCCCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109572	0	55	0.0	-41.28	378.52	11.94	-29.34
CCC(C[NH2+]C1CCC(C)C2=CC=CC=C2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109573	0	55	0.0	-35.33	389.18	12.84	-22.49
CCC(C[NH2+]CC1=CC=C(C2=CSC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109574	0	49	0.0	-45.56	392.29	12.82	-32.74
CCOC1=CC(CCC(C)[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=CC=C1O	REAL300018109575	0	59	0.0	-43.21	441.12	10.54	-32.67
CCC(C[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018109576	0	48	0.0	-45.53	384.39	13.03	-32.50
CCC(C[NH2+]CC1=C(C)C(OC)=C(C)C(C)=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109577	0	59	0.0	-40.80	433.81	11.03	-29.77
CCC(C[NH2+]CC1=CC=CC=C1OC1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109578	0	59	0.0	-37.56	436.23	13.23	-24.33
C=CCC1=CC=CC=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109579	0	49	0.0	-38.88	368.30	12.25	-26.63
CCC(C[NH2+]CC1=CC=CC=C1COC1CCCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109580	0	62	0.0	-40.81	452.55	13.99	-26.82
CCC(C[NH2+]CC1=CC=CC=C1COC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109581	0	49	0.0	-43.98	373.15	10.24	-33.74
CCC(C[NH2+]CC1=CC=CC(SC(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109582	0	46	0.0	-48.17	383.12	11.85	-36.32
CCC(C[NH2+]CC1=CC=C2CCOCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109583	0	50	0.0	-41.83	375.26	10.48	-31.35
CCC(C[NH2+]CC1=C(C)C2=CC=C(F)C=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109584	0	48	0.0	-43.50	387.42	12.49	-31.01
CCC(C[NH2+]CC1=CC(C2=CC=NC=C2)=NN1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109585	0	48	0.0	-54.34	381.34	8.57	-45.77
CCC(C[NH2+]CC1=C(F)C=CC(OC)=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109586	0	50	0.0	-41.27	391.02	9.68	-31.59
CCC(C[NH2+]CC=CC1=CC=NC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109587	0	45	0.0	-48.32	352.79	9.93	-38.39
CCN1C=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C(C2CC2)=N1	REAL300018109588	0	52	0.0	-42.98	398.82	11.32	-31.66
CCC1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)N=C1	REAL300018109589	0	47	0.0	-40.19	364.61	9.98	-30.21
CCC(C[NH2+]CC1=CC=C(OC)C(OCCO)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109590	0	54	0.0	-51.39	418.70	7.43	-43.96
CCC(C[NH2+]CC1=CN(C)N=C1C1=CC=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109591	0	52	0.0	-54.33	406.98	9.34	-44.99
CCC(C[NH2+]CC1=CON=C1C(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109592	0	50	0.0	-44.36	370.01	10.23	-34.13
CCC(C[NH2+]CC1=CC2=CN=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109593	0	47	0.0	-49.72	367.72	10.88	-38.84
CCC(C[NH2+]CC1=C2OC(C)=CC2=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109594	0	48	0.0	-38.18	371.64	11.62	-26.56
CCC(C[NH2+]CC1=CC=CC(F)=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109595	0	45	0.0	-42.54	360.55	11.49	-31.05
CCC(C[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109596	0	49	0.0	-38.08	396.46	11.17	-26.91
CCC(C[NH2+]CC1=CON=C1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109597	0	48	0.0	-48.71	371.41	10.47	-38.24
CCC(C[NH2+]CC1=CC=C(C(F)(F)F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109598	0	45	0.0	-40.78	366.70	11.50	-29.28
CCC(C[NH2+]CC1=CC=C(OC(C)C)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109599	0	52	0.0	-51.78	402.24	11.32	-40.46
CCC(C[NH2+]CC1=CC(C)=NN1C1CCCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109600	0	55	0.0	-47.20	414.80	11.48	-35.72
CCC(C[NH2+]CC1=CC=NN1CC(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109601	0	45	0.0	-53.30	357.61	9.20	-44.10
CCC(C[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109603	0	49	0.0	-44.88	386.79	11.67	-33.21
CCC(C[NH2+]CC1=NN(C2CCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109604	0	49	0.0	-46.09	374.94	10.08	-36.01
CCC(C[NH2+]CC1=NN(CC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109605	0	45	0.0	-44.39	362.97	9.30	-35.09
CCC(C[NH2+]CC1=NN(C2CC2(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109606	0	46	0.0	-42.56	367.47	9.84	-32.72
CCC(C[NH2+]CC1=NC(C)=CN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109607	0	45	0.0	-47.16	343.13	9.36	-37.80
CCC(C[NH2+]C1CC2CCCC(C2)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109608	0	52	0.0	-35.46	355.25	11.19	-24.27
CCC(C[NH2+]CC1=NN(C2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109609	0	52	0.0	-45.71	392.50	10.75	-34.96
CCC(C[NH2+]CC1=C2OC=CC2=C(F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109610	0	45	0.0	-45.51	360.48	10.79	-34.72
CCC(C[NH2+]CC1=C2OC=CC2=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109611	0	45	0.0	-43.35	370.78	11.23	-32.12
CCC(C[NH2+]C1CCN(CC2=CC=CC(OC)=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109612	0	61	0.0	-41.25	441.91	10.10	-31.15
CCC(C[NH2+]CC=CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109613	0	46	0.0	-43.96	357.76	11.69	-32.27
CCC(C[NH2+]CC1=NC2=CC(OC)=CC=C2S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109614	0	48	0.0	-46.47	382.74	9.12	-37.35
CCC(C[NH2+]CC1=C(C)C=C(Br)C=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109615	0	48	0.0	-44.15	381.18	12.07	-32.08
CCC(C[NH2+]CC1=NN(C)C(C2=CC=CO2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109616	0	49	0.0	-46.45	384.03	9.79	-36.66
CCC(C[NH2+]CC1=C(Cl)C=CC2=C1OCO2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109617	0	45	0.0	-39.60	366.79	9.46	-30.14
CCC(C[NH2+]CC1=CC=C(C2CCCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109618	0	58	0.0	-39.18	422.69	14.23	-24.95
CCC(C[NH2+]CC1=CN(C2CCC2)N=C1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109619	0	52	0.0	-42.57	390.16	10.84	-31.73
CCC(C[NH2+]CC=CC1=CC=CC=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109620	0	50	0.0	-39.25	380.25	11.07	-28.18
CCC(C[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109621	0	50	0.0	-46.85	390.74	10.73	-36.12
CCC(C[NH2+]CC1=CC(C2=CC=CO2)=NN1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109622	0	49	0.0	-50.53	384.86	9.63	-40.90
CCC(C[NH2+]C1CCCN(C(C)(C)C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109623	0	56	0.0	-37.75	389.94	8.90	-28.85
CCC(C[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109624	0	55	0.0	-40.63	423.62	14.88	-25.75
CCC(C[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109625	0	51	0.0	-38.38	391.15	12.00	-26.38
CCC(C[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109626	0	63	0.0	-40.62	448.51	12.47	-28.15
CCC(C[NH2+]C1CCC(C2=CC=C(C)C=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109627	0	58	0.0	-46.02	417.82	14.16	-31.86
CCC(C[NH2+]CC1=C(OC)C=C(C)C=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109628	0	53	0.0	-34.44	398.65	9.80	-24.64
CCC(C[NH2+]CC1=CC=C(CF)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109629	0	45	0.0	-45.23	354.70	11.21	-34.02
CCC(C[NH2+]CC1=CC=C2SC=CC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109630	0	45	0.0	-43.12	358.48	11.77	-31.35
CCC(C[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109631	0	51	0.0	-48.39	396.13	12.06	-36.33
CCC(C[NH2+]C(C)CC1=CN(C)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109632	0	48	0.0	-40.52	359.98	9.50	-31.02
CCC(C[NH2+]C1CC2CC=CCC2C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109633	0	50	0.0	-39.36	360.71	11.48	-27.88
CCC(C[NH2+]CC1=CC=CC(C)=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018109634	0	48	0.0	-35.16	366.39	12.02	-23.14
C=CCN1C=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018109635	0	46	0.0	-41.60	358.70	9.61	-31.99
CCC(C[NH2+]CC1=CC2=NNC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109636	0	45	0.0	-51.46	352.97	9.11	-42.35
CCC(C)C1=CC=C(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018109637	0	54	0.0	-39.13	399.50	13.01	-26.12
CCC(C[NH2+]C1CCC2(C1)CCOCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109638	0	53	0.0	-42.71	376.96	9.64	-33.07
CCC(C[NH2+]CC1=NC=C(CC2=CC=CC=C2)N1C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109639	0	55	0.0	-39.66	421.02	12.92	-26.74
CCC(C[NH2+]CC1=CC=CC2=C1CCCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018109640	0	52	0.0	-42.48	382.06	12.76	-29.72
CCC(C[NH2+]CC(C)=CC1=CC(F)=CC(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109641	0	49	0.0	-43.91	381.05	12.32	-31.59
CCC(C[NH2+]CC1=CC=C(N2C=CN=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109642	0	48	0.0	-53.80	379.09	10.31	-43.49
CCC(C[NH2+]CC1=C(C)C2=CC=CC=C2C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109643	0	51	0.0	-44.54	383.68	13.14	-31.40
CCC(C[NH2+]CC1=CN(C(C)(C)C)N=C1C(C)C)(C(=O)[O-])C1=CC=CC=C1	REAL300018109644	0	60	0.0	-44.64	451.90	12.04	-32.60
CCC(C[NH2+]CC1=CC=C2NC=CC2=C1OC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109645	0	50	0.0	-44.72	382.49	9.80	-34.92
CCC(C[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109646	0	55	0.0	-42.55	408.43	7.42	-35.13
CCCN1N=CC(C[NH2+]CC(CC)(C(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018109647	0	51	0.0	-43.91	391.40	10.25	-33.66
CCC(C[NH2+]CC1=CN=C(N2C=CC=N2)C(C)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109648	0	51	0.0	-48.67	393.69	11.73	-36.94
CCC(C[NH2+]C1CCC1CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109649	0	52	0.0	-37.89	384.49	13.29	-24.60
CCCN1N=C(C)C=C1C[NH2+]CC(CC)(C(=O)[O-])C1=CC=CC=C1	REAL300018109650	0	51	0.0	-47.09	387.85	10.25	-36.84
CCC(C[NH2+]CC1=CN(C)N=C1C1CCC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109651	0	52	0.0	-46.41	397.90	10.82	-35.59
CCC(C[NH2+]CC1=CN=C(C(C)(C)C)O1)(C(=O)[O-])C1=CC=CC=C1	REAL300018109652	0	50	0.0	-41.85	380.75	7.89	-33.96
CCC1CCCC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018109653	0	52	0.0	-48.76	398.45	13.75	-35.01
CCC1CCCC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018109653	1	52	0.0	-50.17	399.92	13.80	-36.37
CC1CCCCC1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109654	0	49	0.0	-48.34	369.30	12.72	-35.62
CC1CCCCC1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109654	1	49	0.0	-49.37	377.47	12.97	-36.40
O=C([O-])[C@@H]1C[N@H+](CC2CC3CCC2C3)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109655	0	47	0.0	-49.79	362.78	12.72	-37.07
O=C([O-])[C@@H]1C[N@@H+](CC2CC3CCC2C3)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109655	1	47	0.0	-46.92	365.02	12.84	-34.08
COCC1=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300018109657	0	43	0.0	-52.34	372.10	9.44	-42.90
COCC1=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300018109657	1	43	0.0	-57.68	371.39	9.43	-48.25
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N(C)N=C1	REAL300018109658	0	43	0.0	-55.05	356.79	10.13	-44.92
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N(C)N=C1	REAL300018109658	1	43	0.0	-55.50	355.76	10.13	-45.37
CC(C)N1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109659	0	45	0.0	-57.44	377.19	10.06	-47.38
CC(C)N1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109659	1	45	0.0	-61.49	378.44	10.12	-51.37
O=C([O-])[C@@H]1C[N@H+](CC2=CN=CC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109660	0	38	0.0	-55.84	329.75	8.64	-47.20
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=CC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109660	1	38	0.0	-52.68	330.40	8.47	-44.21
CC1=NOC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109661	0	39	0.0	-59.18	336.37	10.21	-48.97
CC1=NOC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109661	1	39	0.0	-56.40	337.58	10.27	-46.13
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=CS1	REAL300018109662	0	40	0.0	-48.73	349.36	11.93	-36.80
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=CS1	REAL300018109662	1	40	0.0	-51.02	348.62	11.94	-39.08
CC1=CN=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109663	0	39	0.0	-46.85	347.10	10.18	-36.67
CC1=CN=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109663	1	39	0.0	-48.39	346.80	10.11	-38.28
CCN1N=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109664	0	42	0.0	-55.56	357.89	9.20	-46.36
CCN1N=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109664	1	42	0.0	-56.78	359.93	9.26	-47.52
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109665	0	41	0.0	-57.18	350.23	9.86	-47.32
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109665	1	41	0.0	-61.59	351.75	9.98	-51.61
CC1=CC=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109666	0	43	0.0	-51.25	354.94	12.80	-38.45
CC1=CC=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109666	1	43	0.0	-50.40	356.49	12.78	-37.62
CCC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109667	0	46	0.0	-48.51	382.26	13.59	-34.92
CCC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109667	1	46	0.0	-51.22	382.13	13.57	-37.65
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1C	REAL300018109668	0	46	0.0	-51.37	376.04	13.33	-38.04
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1C	REAL300018109668	1	46	0.0	-50.93	378.29	13.35	-37.58
CN1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109669	0	40	0.0	-55.34	341.11	9.92	-45.42
CN1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109669	1	40	0.0	-57.60	343.35	9.98	-47.62
O=C([O-])[C@@H]1C[N@H+](CC2=CSN=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109670	1	35	0.0	-61.82	319.45	8.63	-53.19
O=C([O-])[C@@H]1C[N@@H+](CC2=CSN=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109670	1	35	0.0	-55.91	319.74	8.59	-47.32
O=C([O-])[C@@H]1C[N@H+](CC2CC=CCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109671	0	44	0.0	-51.51	353.21	12.46	-39.05
O=C([O-])[C@@H]1C[N@@H+](CC2CC=CCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109671	1	44	0.0	-45.96	353.28	12.42	-33.54
CCC(CC)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109672	0	45	0.0	-44.44	348.09	11.47	-32.97
CCC(CC)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109672	1	45	0.0	-49.55	355.35	11.92	-37.63
O=C([O-])[C@@H]1C[N@H+](CC2CCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109673	0	46	0.0	-50.38	360.87	12.53	-37.85
O=C([O-])[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109673	1	46	0.0	-45.99	361.11	12.56	-33.43
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CC1CCC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300018109679	1	49	0.0	-50.26	381.66	13.15	-37.11
CC(C)(C)CC[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109680	0	45	0.0	-48.57	356.56	11.65	-36.92
CC(C)(C)CC[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109680	1	45	0.0	-49.93	356.85	11.63	-38.30
CC1=CCCC(C)C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109681	0	50	0.0	-44.67	379.50	13.50	-31.17
CC1=CCCC(C)C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109681	1	50	0.0	-47.21	383.58	13.64	-33.57
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CN1N=CC(Cl)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109683	1	40	0.0	-57.31	353.45	10.05	-47.26
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O=C([O-])[C@@H]1C[N@@H+](CC2CCC=CO2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109684	1	42	0.0	-51.45	345.59	10.69	-40.76
O=C([O-])[C@@H]1C[N@H+](CCC2CCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109685	0	49	0.0	-50.90	382.26	13.14	-37.76
O=C([O-])[C@@H]1C[N@@H+](CCC2CCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109685	1	49	0.0	-45.83	382.76	13.16	-32.67
O=C([O-])[C@@H]1C[N@H+](CCC2CCOC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109686	0	44	0.0	-54.39	357.11	10.02	-44.37
O=C([O-])[C@@H]1C[N@@H+](CCC2CCOC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109686	1	44	0.0	-52.41	356.45	10.02	-42.39
CC1CC1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109687	0	40	0.0	-45.30	334.78	11.50	-33.80
CC1CC1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109687	1	40	0.0	-49.58	331.08	11.37	-38.21
CC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300018109688	0	46	0.0	-45.31	376.04	13.51	-31.80
CC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1=CC=CC=C1	REAL300018109688	1	46	0.0	-51.69	375.65	13.50	-38.19
O=C([O-])[C@@H]1C[N@H+](CC2=COC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109689	0	36	0.0	-56.95	316.57	6.88	-50.07
O=C([O-])[C@@H]1C[N@@H+](CC2=COC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109689	1	36	0.0	-51.83	316.79	6.84	-44.99
COC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109690	0	43	0.0	-52.47	367.83	8.84	-43.63
COC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109690	1	43	0.0	-55.88	367.36	9.10	-46.78
C#CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109691	0	42	0.0	-55.52	366.37	13.32	-42.20
C#CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109691	1	42	0.0	-55.93	363.76	13.26	-42.67
CC1=CC=C(F)C=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109692	0	43	0.0	-54.97	361.38	12.86	-42.11
CC1=CC=C(F)C=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109692	1	43	0.0	-55.27	362.95	12.85	-42.42
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(F)=CC=C2O)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109693	0	41	0.0	-52.97	354.76	9.63	-43.34
O=C([O-])[C@@H]1C[N@H+](CC2=CC(F)=CC=C2O)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109693	1	41	0.0	-53.20	357.22	9.53	-43.67
CCC1CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCO1	REAL300018109694	0	50	0.0	-50.77	392.48	11.69	-39.08
CCC1CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCO1	REAL300018109694	1	50	0.0	-51.27	387.15	11.49	-39.78
O=C([O-])[C@@H]1C[N@H+](CCCC2CCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109695	0	52	0.0	-51.32	404.05	13.95	-37.37
O=C([O-])[C@@H]1C[N@@H+](CCCC2CCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109695	1	52	0.0	-48.70	402.55	13.91	-34.79
C=CN1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109696	0	41	0.0	-59.22	355.13	11.18	-48.04
C=CN1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109696	1	41	0.0	-57.35	352.91	11.13	-46.22
O=C([O-])[C@@H]1C[N@H+](CC2=CC3=CC=CC=C3N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109697	0	44	0.0	-54.68	372.73	12.20	-42.48
O=C([O-])[C@@H]1C[N@@H+](CC2=CC3=CC=CC=C3N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109697	1	44	0.0	-54.22	371.80	12.10	-42.12
CC(C)CC(C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109698	0	48	0.0	-45.10	375.05	12.52	-32.58
CC(C)CC(C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109698	1	48	0.0	-48.88	375.86	12.54	-36.34
O=C([O-])[C@@H]1C[N@H+](CCC2CCCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109699	0	52	0.0	-50.95	393.48	13.55	-37.40
O=C([O-])[C@@H]1C[N@@H+](CCC2CCCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109699	1	52	0.0	-45.59	392.50	13.52	-32.07
CC1=CNN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109700	0	40	0.0	-48.65	335.56	8.99	-39.66
CC1=CNN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109700	1	40	0.0	-53.46	342.31	9.27	-44.19
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)NN=C1	REAL300018109700	1	40	0.0	-54.23	340.73	9.17	-45.06
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)NN=C1	REAL300018109700	1	40	0.0	-56.13	340.88	9.26	-46.87
CN1C(Cl)=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109701	1	40	0.0	-57.34	355.60	10.82	-46.52
CN1C(Cl)=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109701	1	40	0.0	-50.56	351.75	10.56	-40.00
CSC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300018109702	0	41	0.0	-46.91	344.99	11.71	-35.20
CSC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300018109702	1	41	0.0	-42.28	346.94	11.79	-30.49
CSC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300018109703	0	44	0.0	-46.70	354.64	11.96	-34.74
CSC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300018109703	1	44	0.0	-44.38	355.48	11.93	-32.45
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CO2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109704	0	37	0.0	-53.07	322.00	10.39	-42.68
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CO2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109704	1	37	0.0	-49.67	321.43	10.35	-39.32
CN1C=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109705	0	40	0.0	-51.16	341.40	10.50	-40.66
CN1C=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109705	1	40	0.0	-58.13	341.03	10.49	-47.64
O=C([O-])[C@@H]1C[N@H+](CC2=NNC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109706	0	37	0.0	-54.11	321.11	8.64	-45.47
O=C([O-])[C@@H]1C[N@@H+](CC2=NNC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109706	1	37	0.0	-50.06	319.90	8.55	-41.51
CC1=NNC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109707	0	40	0.0	-55.93	340.29	9.26	-46.67
CC1=NNC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109707	1	40	0.0	-53.94	341.06	9.32	-44.62
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=NN1	REAL300018109707	1	40	0.0	-51.75	341.63	9.30	-42.45
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=NN1	REAL300018109707	1	40	0.0	-56.19	341.15	9.21	-46.98
CCN1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109708	0	43	0.0	-53.01	365.22	10.88	-42.13
CCN1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109708	1	43	0.0	-57.18	364.65	10.85	-46.33
CN1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109709	0	39	0.0	-57.59	338.31	8.73	-48.86
CN1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109709	1	39	0.0	-63.50	338.00	8.73	-54.77
CC1=CC=C(O)C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109710	0	43	0.0	-44.89	367.19	8.27	-36.62
CC1=CC=C(O)C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109710	1	43	0.0	-50.58	367.44	8.28	-42.30
CC1=CN=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109711	0	42	0.0	-56.91	350.53	11.06	-45.85
CC1=CN=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109711	1	42	0.0	-54.62	351.38	11.07	-43.55
CC(C)N1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109712	0	46	0.0	-55.83	381.51	11.30	-44.53
CC(C)N1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109712	1	46	0.0	-56.63	383.50	11.37	-45.26
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)OC=C1	REAL300018109713	0	40	0.0	-48.90	335.73	10.73	-38.17
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)OC=C1	REAL300018109713	1	40	0.0	-52.30	341.92	10.99	-41.31
CC(C)N1N=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109714	0	46	0.0	-58.10	382.27	11.30	-46.80
CC(C)N1N=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109714	1	46	0.0	-56.17	383.97	11.32	-44.85
COC1=NC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109715	0	42	0.0	-59.14	360.72	6.79	-52.35
COC1=NC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109715	1	42	0.0	-62.80	362.54	7.05	-55.75
CN1N=NC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109716	0	39	0.0	-62.88	335.76	8.56	-54.32
CN1N=NC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109716	1	39	0.0	-64.39	335.83	8.56	-55.83
CCN1N=C(C)C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109717	0	45	0.0	-55.85	379.58	9.80	-46.05
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CCN1N=NC(C)=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109718	0	45	0.0	-64.22	371.92	9.79	-54.43
CCN1N=NC(C)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109718	1	45	0.0	-62.44	373.16	9.76	-52.68
CCC1CCCCC1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109719	0	52	0.0	-45.71	396.03	13.64	-32.07
CCC1CCCCC1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109719	1	52	0.0	-50.19	395.86	13.63	-36.56
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CSC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109721	0	41	0.0	-53.89	363.81	11.52	-42.37
CSC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109721	1	41	0.0	-53.98	366.56	11.61	-42.37
CC1CCCC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018109722	0	49	0.0	-48.68	380.23	13.11	-35.57
CC1CCCC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018109722	1	49	0.0	-50.09	381.64	13.15	-36.94
O=C([O-])[C@@H]1C[N@H+](CC2(F)CC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109723	0	37	0.0	-49.56	318.70	10.91	-38.65
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CC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C(C)(C)C	REAL300018109724	0	48	0.0	-44.15	363.23	11.74	-32.41
CC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C(C)(C)C	REAL300018109724	1	48	0.0	-50.00	363.21	11.78	-38.22
COCC(C)(C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109725	0	46	0.0	-51.22	360.42	10.16	-41.06
COCC(C)(C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109725	1	46	0.0	-50.56	362.32	10.20	-40.36
CCCN1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109726	0	45	0.0	-58.01	379.86	10.29	-47.72
CCCN1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=N1	REAL300018109726	1	45	0.0	-62.53	381.03	10.34	-52.19
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O=C([O-])[C@@H]1C[N@@H+](CC2=CC(C3CC3)=NO2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109727	1	43	0.0	-57.00	367.96	11.90	-45.10
CC(C)N1N=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109728	0	45	0.0	-56.44	368.26	11.44	-45.00
CC(C)N1N=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109728	1	45	0.0	-60.66	378.90	11.91	-48.75
C#CCCCCCC[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109729	0	47	0.0	-53.12	393.63	13.61	-39.51
C#CCCCCCC[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109729	1	47	0.0	-50.08	392.06	13.57	-36.51
O=C([O-])[C@@H]1C[N@H+](CC2CC2(Cl)Cl)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109730	0	37	0.0	-52.75	346.36	11.83	-40.92
O=C([O-])[C@@H]1C[N@@H+](CC2CC2(Cl)Cl)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109730	1	37	0.0	-51.77	342.64	11.77	-40.00
COC(C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109731	0	40	0.0	-47.89	329.03	9.28	-38.61
COC(C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109731	1	40	0.0	-52.45	330.46	9.33	-43.12
CC1=C(C)C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109732	0	43	0.0	-50.85	365.27	12.42	-38.43
CC1=C(C)C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109732	1	43	0.0	-50.15	366.33	12.49	-37.66
COC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCCC1	REAL300018109733	0	47	0.0	-48.52	360.68	10.88	-37.64
COC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCCC1	REAL300018109733	1	47	0.0	-46.61	363.01	10.86	-35.75
CSC(C)(C)CC[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109734	0	46	0.0	-47.23	374.85	12.03	-35.20
CSC(C)(C)CC[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109734	1	46	0.0	-48.34	375.46	12.04	-36.30
CCC(C)(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)OC	REAL300018109735	0	46	0.0	-44.28	358.48	10.43	-33.85
CCC(C)(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)OC	REAL300018109735	1	46	0.0	-46.28	353.89	10.31	-35.97
COC(C)(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300018109736	0	47	0.0	-44.39	361.10	11.14	-33.25
COC(C)(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300018109736	1	47	0.0	-49.30	363.01	10.94	-38.36
CCCC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)OC	REAL300018109737	0	46	0.0	-44.86	372.66	10.63	-34.23
CCCC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)OC	REAL300018109737	1	46	0.0	-46.73	369.70	10.72	-36.01
COC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCCCC1	REAL300018109738	0	50	0.0	-50.59	374.51	11.59	-39.00
COC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCCCC1	REAL300018109738	1	50	0.0	-49.06	377.59	11.33	-37.73
O=C([O-])[C@@H]1C[N@H+](CC2CCC3CC3C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109739	0	47	0.0	-51.27	368.05	13.20	-38.07
O=C([O-])[C@@H]1C[N@@H+](CC2CCC3CC3C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109739	1	47	0.0	-46.94	368.17	13.19	-33.75
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109740	0	39	0.0	-53.77	335.13	10.54	-43.23
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109740	1	39	0.0	-49.24	335.74	10.37	-38.87
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109741	0	37	0.0	-51.89	330.27	11.30	-40.59
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109741	1	37	0.0	-47.96	330.45	11.31	-36.65
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CN=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109742	0	39	0.0	-56.84	334.68	10.35	-46.49
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CN=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109742	1	39	0.0	-55.52	332.62	10.35	-45.17
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109743	0	40	0.0	-51.44	339.80	12.16	-39.28
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109743	1	40	0.0	-51.53	337.65	12.12	-39.41
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC=C2O)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109744	0	41	0.0	-51.31	347.79	9.46	-41.85
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC=C2O)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109744	1	41	0.0	-48.89	350.89	9.44	-39.45
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC=C2Cl)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109745	0	40	0.0	-44.83	353.77	12.70	-32.13
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC=C2Cl)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109745	1	40	0.0	-47.57	353.46	12.72	-34.85
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(Cl)C=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109746	0	40	0.0	-54.84	355.87	12.65	-42.19
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(Cl)C=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109746	1	40	0.0	-52.51	356.08	12.66	-39.85
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(F)C=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109747	0	40	0.0	-55.92	345.55	12.20	-43.72
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(F)C=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109747	1	40	0.0	-53.71	345.76	12.21	-41.50
COC(CC(C)C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109748	0	49	0.0	-47.33	387.76	11.06	-36.27
COC(CC(C)C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109748	1	49	0.0	-46.73	387.45	11.23	-35.50
O=C([O-])[C@@H]1C[N@H+](CC2CC3CC3C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109749	0	44	0.0	-50.19	353.61	12.57	-37.62
O=C([O-])[C@@H]1C[N@@H+](CC2CC3CC3C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109749	1	44	0.0	-47.21	355.02	12.61	-34.60
COCC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300018109750	0	47	0.0	-45.28	369.96	11.08	-34.20
COCC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCC1	REAL300018109750	1	47	0.0	-47.58	370.08	11.11	-36.47
CN1N=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109751	0	39	0.0	-54.18	338.38	8.43	-45.75
CN1N=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109751	1	39	0.0	-57.36	338.06	8.42	-48.94
CCC1=NOC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109752	0	42	0.0	-56.80	358.80	11.01	-45.79
CCC1=NOC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109752	1	42	0.0	-56.67	358.92	11.01	-45.66
COC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300018109753	0	44	0.0	-47.42	360.12	10.80	-36.62
COC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CC1	REAL300018109753	1	44	0.0	-53.17	355.07	10.90	-42.27
CCC(C)C(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)OC	REAL300018109754	0	49	0.0	-49.56	375.83	10.76	-38.80
CCC(C)C(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)OC	REAL300018109754	1	49	0.0	-52.10	382.20	11.14	-40.96
COC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCOC1	REAL300018109755	0	48	0.0	-53.40	373.41	8.83	-44.57
COC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCOC1	REAL300018109755	1	48	0.0	-51.92	378.96	9.12	-42.80
COC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCOC1	REAL300018109756	0	45	0.0	-53.26	355.84	8.54	-44.72
COC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CCOC1	REAL300018109756	1	45	0.0	-51.52	352.86	8.40	-43.12
COC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCCC1	REAL300018109757	0	50	0.0	-47.21	390.50	11.71	-35.50
COC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCCC1	REAL300018109757	1	50	0.0	-51.41	383.31	11.48	-39.93
COC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109758	0	44	0.0	-54.56	366.03	11.37	-43.19
COC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109758	1	44	0.0	-53.46	368.64	11.43	-42.03
CC(C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109759	0	39	0.0	-44.53	319.44	10.66	-33.87
CC(C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109759	1	39	0.0	-48.18	318.98	10.63	-37.55
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC(Cl)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109760	0	40	0.0	-55.92	356.56	12.68	-43.24
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC(Cl)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109760	1	40	0.0	-51.42	356.81	12.69	-38.73
COC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109761	0	44	0.0	-50.50	369.58	11.48	-39.02
COC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109761	1	44	0.0	-51.41	369.33	11.46	-39.95
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109762	0	40	0.0	-51.71	341.21	11.13	-40.58
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109762	1	40	0.0	-53.02	343.98	11.23	-41.79
O=C([O-])[C@@H]1C[N@H+](CC2=CC=NC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109763	0	39	0.0	-56.19	334.86	10.42	-45.77
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=NC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109763	1	39	0.0	-56.84	331.55	10.31	-46.53
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC(F)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109764	0	40	0.0	-57.09	346.24	12.23	-44.86
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC(F)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109764	1	40	0.0	-52.49	346.49	12.25	-40.24
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC(O)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109765	0	41	0.0	-50.77	351.09	9.33	-41.44
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC(O)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109765	1	41	0.0	-53.04	350.85	9.30	-43.74
COC1=CC=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109766	0	44	0.0	-44.34	362.22	11.74	-32.60
COC1=CC=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109766	1	44	0.0	-46.03	369.36	11.59	-34.44
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SC=C1	REAL300018109767	0	40	0.0	-46.03	350.44	11.93	-34.10
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SC=C1	REAL300018109767	1	40	0.0	-50.95	349.58	11.90	-39.05
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109768	0	43	0.0	-51.13	357.93	12.75	-38.38
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109768	1	43	0.0	-51.87	360.91	12.81	-39.06
CC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109769	0	43	0.0	-51.06	357.92	12.74	-38.32
CC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109769	1	43	0.0	-51.31	361.19	12.82	-38.49
O=C([O-])[C@@H]1C[N@H+](CC2=CSC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109770	0	37	0.0	-51.96	330.22	11.15	-40.81
O=C([O-])[C@@H]1C[N@@H+](CC2=CSC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109770	1	37	0.0	-51.43	327.18	11.04	-40.39
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109771	0	40	0.0	-47.61	351.36	12.07	-35.54
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109771	1	40	0.0	-51.83	352.51	12.12	-39.71
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C(C)=C1	REAL300018109772	0	46	0.0	-50.27	374.68	13.43	-36.84
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C(C)=C1	REAL300018109772	1	46	0.0	-50.41	377.89	13.45	-36.96
CC1=CC=C(C)C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109773	0	46	0.0	-51.43	376.42	13.46	-37.97
CC1=CC=C(C)C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109773	1	46	0.0	-49.51	377.11	13.51	-36.00
O=C([O-])[C@@H]1C[N@H+](CC2CC3C=CC2C3)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109774	0	45	0.0	-51.14	357.17	12.73	-38.41
O=C([O-])[C@@H]1C[N@@H+](CC2CC3C=CC2C3)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109774	1	45	0.0	-47.46	356.86	12.69	-34.77
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(Cl)O2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109775	0	37	0.0	-56.63	339.12	11.02	-45.61
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(Cl)O2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109775	1	37	0.0	-54.43	336.45	10.93	-43.50
CC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1C	REAL300018109776	0	46	0.0	-50.83	370.32	13.29	-37.54
CC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1C	REAL300018109776	1	46	0.0	-50.19	373.18	13.41	-36.78
CN1C=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109777	0	41	0.0	-52.81	343.97	11.57	-41.24
CN1C=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109777	1	41	0.0	-49.37	338.41	11.30	-38.07
CC1=NN(C)C(C)=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109778	0	46	0.0	-55.75	374.60	10.75	-45.00
CC1=NN(C)C(C)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109778	1	46	0.0	-52.10	377.12	10.75	-41.35
CC1=NOC(C)=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109779	0	42	0.0	-58.21	352.63	10.85	-47.36
CC1=NOC(C)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109779	1	42	0.0	-58.21	355.09	10.88	-47.33
CC1=NC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109780	0	39	0.0	-50.85	346.13	9.90	-40.95
CC1=NC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109780	1	39	0.0	-53.36	347.34	10.02	-43.34
CCC(C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109781	0	42	0.0	-44.91	336.40	11.25	-33.66
CCC(C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109781	1	42	0.0	-48.94	337.53	11.30	-37.64
CCCC(C)C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109782	0	45	0.0	-45.44	358.92	12.04	-33.40
CCCC(C)C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109782	1	45	0.0	-49.18	359.06	12.05	-37.13
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C3NC=CC3=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109783	0	44	0.0	-52.70	370.95	12.19	-40.51
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C3NC=CC3=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109783	1	44	0.0	-54.10	368.92	12.17	-41.93
CCC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109784	0	43	0.0	-49.55	364.87	11.97	-37.58
CCC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109784	1	43	0.0	-53.09	365.42	11.99	-41.10
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1F	REAL300018109785	0	43	0.0	-52.53	366.81	12.89	-39.64
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1F	REAL300018109785	1	43	0.0	-57.19	365.86	12.84	-44.35
CC1=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CC=C1F	REAL300018109786	0	43	0.0	-53.53	366.79	12.89	-40.64
CC1=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CC=C1F	REAL300018109786	1	43	0.0	-56.38	366.22	12.83	-43.55
O=C([O-])[C@@H]1C[N@H+](CC2=C3NC=CC3=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109787	0	44	0.0	-53.02	372.33	12.24	-40.78
O=C([O-])[C@@H]1C[N@@H+](CC2=C3NC=CC3=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109787	1	44	0.0	-55.23	371.36	12.25	-42.98
CC1=CC(C)=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109788	0	46	0.0	-48.32	383.01	13.52	-34.80
CC1=CC(C)=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109788	1	46	0.0	-51.45	382.79	13.50	-37.95
CC1=CC=CC(C)=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109789	0	46	0.0	-46.77	368.74	13.18	-33.59
CC1=CC=CC(C)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109789	1	46	0.0	-49.18	365.72	12.97	-36.21
O=C([O-])[C@@H]1C[N@H+](CC2=NC=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109790	0	36	0.0	-48.49	324.92	9.31	-39.18
O=C([O-])[C@@H]1C[N@@H+](CC2=NC=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109790	1	36	0.0	-51.94	325.15	9.39	-42.55
O=C([O-])[C@@H]1C[N@H+](CC2=CN=CN=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109791	0	38	0.0	-58.78	329.54	10.13	-48.65
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=CN=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109791	1	38	0.0	-56.93	329.40	10.12	-46.81
CCC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109792	0	43	0.0	-49.45	371.55	12.84	-36.61
CCC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109792	1	43	0.0	-51.19	373.89	12.89	-38.30
O=C([O-])[C@@H]1C[N@H+](CC2=CCCOC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109793	0	42	0.0	-52.96	343.21	9.87	-43.09
O=C([O-])[C@@H]1C[N@@H+](CC2=CCCOC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109793	1	42	0.0	-52.34	344.92	9.96	-42.38
O=C([O-])[C@@H]1C[N@H+](CC2=CN=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109794	0	36	0.0	-52.74	325.17	9.47	-43.27
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=CS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109794	1	36	0.0	-54.05	322.71	9.36	-44.69
O=C([O-])[C@@H]1C[N@H+](CC2=C3C=CNC3=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109795	0	44	0.0	-50.36	372.23	12.25	-38.11
O=C([O-])[C@@H]1C[N@@H+](CC2=C3C=CNC3=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109795	1	44	0.0	-51.71	371.10	12.24	-39.47
CN1C=NC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109796	0	40	0.0	-58.46	340.29	11.34	-47.12
CN1C=NC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109796	1	40	0.0	-51.76	333.56	11.01	-40.75
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C3C=CNC3=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109797	0	44	0.0	-55.50	371.21	12.21	-43.29
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C3C=CNC3=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109797	1	44	0.0	-54.84	368.92	12.15	-42.69
CC1=NN(C)C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109798	0	43	0.0	-59.98	362.69	10.36	-49.62
CC1=NN(C)C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109798	1	43	0.0	-55.69	355.86	10.02	-45.67
CC1=CC(F)=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109799	0	43	0.0	-56.48	361.41	12.87	-43.61
CC1=CC(F)=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109799	1	43	0.0	-54.62	362.38	12.93	-41.69
O=C([O-])[C@@H]1C[N@H+](CC2=CSC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109800	0	36	0.0	-53.68	325.33	9.33	-44.35
O=C([O-])[C@@H]1C[N@@H+](CC2=CSC=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109800	1	36	0.0	-48.58	324.39	9.17	-39.41
CC1=NNC(C)=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109801	0	43	0.0	-55.37	354.19	9.54	-45.83
CC1=NNC(C)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109801	1	43	0.0	-52.34	355.88	9.52	-42.82
CN1N=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109802	0	40	0.0	-56.35	340.59	9.72	-46.63
CN1N=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109802	1	40	0.0	-55.62	333.99	9.44	-46.18
COC1=NC=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109803	0	43	0.0	-48.53	358.51	9.07	-39.46
COC1=NC=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109803	1	43	0.0	-46.94	366.69	8.99	-37.95
CC1=NC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109804	0	39	0.0	-51.05	347.35	10.16	-40.89
CC1=NC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109804	1	39	0.0	-52.90	346.89	10.16	-42.74
CC1=NC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109805	0	41	0.0	-57.04	351.24	10.10	-46.94
CC1=NC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109805	1	41	0.0	-58.16	351.09	10.10	-48.06
CCC1=NC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109806	0	42	0.0	-53.66	366.38	10.85	-42.81
CCC1=NC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109806	1	42	0.0	-52.95	369.01	10.94	-42.01
CCC1=NC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109807	0	42	0.0	-49.07	368.63	10.65	-38.42
CCC1=NC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109807	1	42	0.0	-53.53	368.44	10.77	-42.76
CC1=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C(C)S1	REAL300018109808	0	43	0.0	-51.30	368.81	12.66	-38.64
CC1=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C(C)S1	REAL300018109808	1	43	0.0	-51.17	370.50	12.74	-38.43
CCN1C=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109809	0	43	0.0	-54.64	357.11	11.43	-43.21
CCN1C=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109809	1	43	0.0	-57.32	362.90	11.36	-45.96
CN1C=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109810	0	40	0.0	-51.30	341.91	9.85	-41.45
CN1C=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109810	1	40	0.0	-54.18	343.67	9.94	-44.24
CC1=NSC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109811	0	39	0.0	-54.27	347.48	10.66	-43.61
CC1=NSC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109811	1	39	0.0	-59.04	347.13	10.63	-48.41
O=C([O-])[C@@H]1C[N@H+](CC2CCCCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109812	0	52	0.0	-50.27	380.40	13.31	-36.96
O=C([O-])[C@@H]1C[N@@H+](CC2CCCCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109812	1	52	0.0	-46.51	383.48	13.33	-33.18
CC1=CSC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109813	0	39	0.0	-51.82	346.92	9.98	-41.84
CC1=CSC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109813	1	39	0.0	-47.88	346.54	9.90	-37.98
CC1=NC=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109814	0	42	0.0	-55.16	348.43	10.97	-44.19
CC1=NC=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109814	1	42	0.0	-53.02	351.36	10.97	-42.05
CC1(C)CCCC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018109815	0	52	0.0	-49.79	394.35	13.43	-36.36
CC1(C)CCCC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018109815	1	52	0.0	-49.96	394.62	13.42	-36.54
COC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SC=C1	REAL300018109816	0	41	0.0	-42.60	357.62	10.70	-31.90
COC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SC=C1	REAL300018109816	1	41	0.0	-45.41	360.14	10.60	-34.81
O=C([O-])[C@@H]1C[N@H+](CCC2CCOCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109817	0	47	0.0	-53.03	373.47	10.75	-42.28
O=C([O-])[C@@H]1C[N@@H+](CCC2CCOCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109817	1	47	0.0	-48.62	373.91	10.78	-37.84
O=C([O-])[C@@H]1C[N@H+](CC2CCSCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109818	0	44	0.0	-53.33	360.18	12.23	-41.10
O=C([O-])[C@@H]1C[N@@H+](CC2CCSCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109818	1	44	0.0	-52.43	359.08	12.22	-40.21
O=C([O-])[C@@H]1C[N@H+](CC2CCCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109819	0	49	0.0	-50.62	372.14	12.95	-37.67
O=C([O-])[C@@H]1C[N@@H+](CC2CCCCCC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109819	1	49	0.0	-46.45	371.98	12.99	-33.46
O=C([O-])[C@@H]1C[N@H+](CC2=CC=NC=C2Cl)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109820	0	39	0.0	-48.01	348.63	10.90	-37.11
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=NC=C2Cl)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109820	1	39	0.0	-52.50	348.89	10.97	-41.53
CC1=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NN1C	REAL300018109821	0	43	0.0	-50.96	361.60	10.34	-40.62
CC1=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NN1C	REAL300018109821	1	43	0.0	-53.72	363.09	10.41	-43.31
CCC1=NC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109822	0	44	0.0	-56.95	372.70	10.70	-46.25
CCC1=NC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109822	1	44	0.0	-58.06	372.49	10.71	-47.35
CC1=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300018109823	0	39	0.0	-52.15	336.17	10.30	-41.85
CC1=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=NO1	REAL300018109823	1	39	0.0	-56.03	337.79	10.38	-45.65
CCN1C=NC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109824	0	43	0.0	-53.10	358.09	12.35	-40.75
CCN1C=NC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109824	1	43	0.0	-57.09	363.29	12.27	-44.82
CC1=NC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N1C	REAL300018109825	0	43	0.0	-59.07	360.71	11.17	-47.90
CC1=NC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N1C	REAL300018109825	1	43	0.0	-52.66	353.37	10.80	-41.86
O=C([O-])[C@@H]1C[N@H+](CC2=CN=C3CCCN23)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109826	0	44	0.0	-52.37	365.00	11.75	-40.62
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=C3CCCN23)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109826	1	44	0.0	-58.14	366.17	11.77	-46.37
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(F)C=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109827	0	39	0.0	-58.04	341.75	10.61	-47.43
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(F)C=N2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109827	1	39	0.0	-53.56	341.71	10.40	-43.16
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SC=N1	REAL300018109828	0	39	0.0	-50.53	345.59	10.01	-40.52
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SC=N1	REAL300018109828	1	39	0.0	-53.21	344.91	9.99	-43.22
CC1=NOC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109829	0	39	0.0	-56.89	337.30	10.37	-46.52
CC1=NOC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109829	1	39	0.0	-60.26	338.20	10.45	-49.81
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=CO1	REAL300018109830	0	40	0.0	-51.36	340.70	10.95	-40.41
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=CO1	REAL300018109830	1	40	0.0	-52.35	342.66	11.03	-41.32
O=C([O-])[C@@H]1C[N@H+](CC2=NOC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109831	0	36	0.0	-56.08	315.78	9.53	-46.55
O=C([O-])[C@@H]1C[N@@H+](CC2=NOC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109831	1	36	0.0	-51.74	316.09	9.52	-42.22
COCC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109832	0	44	0.0	-51.36	377.01	10.24	-41.12
COCC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109832	1	44	0.0	-55.61	377.56	10.27	-45.34
CC(C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300018109833	0	52	0.0	-48.14	387.87	13.26	-34.88
CC(C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1)C1CCCCC1	REAL300018109833	1	52	0.0	-50.28	391.03	13.34	-36.94
CC1=CN=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109834	0	39	0.0	-50.30	337.65	7.79	-42.51
CC1=CN=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109834	1	39	0.0	-51.59	338.91	7.80	-43.79
CC1=CNC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109835	0	40	0.0	-54.64	340.95	9.37	-45.27
CC1=CNC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109835	1	40	0.0	-58.91	342.32	9.49	-49.42
CC1=NC(C)=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109836	0	42	0.0	-53.73	352.84	8.12	-45.61
CC1=NC(C)=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)O1	REAL300018109836	1	42	0.0	-55.42	359.26	8.41	-47.01
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=C1	REAL300018109837	0	42	0.0	-49.58	356.75	10.97	-38.61
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=C1	REAL300018109837	1	42	0.0	-54.02	356.81	11.19	-42.83
O=C([O-])[C@@H]1C[N@H+](CC2=CC=NS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109838	0	36	0.0	-58.43	325.46	10.07	-48.36
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=NS2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109838	1	36	0.0	-54.38	325.22	10.03	-44.35
CC(C)N1C=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109839	0	46	0.0	-50.60	371.74	11.48	-39.12
CC(C)N1C=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109839	1	46	0.0	-46.63	371.39	11.45	-35.18
CC1=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109840	0	40	0.0	-48.42	351.00	11.92	-36.50
CC1=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CS1	REAL300018109840	1	40	0.0	-51.72	352.07	11.98	-39.74
CCC1=NN(C)C=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109841	0	46	0.0	-53.95	382.34	11.39	-42.56
CCC1=NN(C)C=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109841	1	46	0.0	-52.87	385.24	11.35	-41.52
CCC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109842	0	46	0.0	-51.78	380.56	13.56	-38.22
CCC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109842	1	46	0.0	-51.19	382.72	13.59	-37.60
COC1=NC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109843	0	40	0.0	-55.92	355.40	7.72	-48.20
COC1=NC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109843	1	40	0.0	-55.92	358.09	7.85	-48.07
CC1=NC=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109844	0	41	0.0	-54.45	347.01	9.07	-45.38
CC1=NC=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109844	1	41	0.0	-55.01	347.12	9.11	-45.90
CCN1N=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109845	0	42	0.0	-55.58	355.43	11.22	-44.36
CCN1N=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109845	1	42	0.0	-60.04	356.38	11.28	-48.76
CN1C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300018109846	0	40	0.0	-60.75	355.50	11.04	-49.71
CN1C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=CN=C1Cl	REAL300018109846	1	40	0.0	-60.01	357.17	11.05	-48.96
CC1=CN=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N1C	REAL300018109847	0	43	0.0	-56.34	360.19	10.94	-45.40
CC1=CN=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N1C	REAL300018109847	1	43	0.0	-57.74	361.82	10.98	-46.76
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SN=N1	REAL300018109848	0	38	0.0	-61.95	338.78	9.40	-52.55
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)SN=N1	REAL300018109848	1	38	0.0	-59.36	338.77	9.36	-50.00
NC1=C(F)C=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109849	0	42	0.0	-55.04	355.66	10.39	-44.65
NC1=C(F)C=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109849	1	42	0.0	-52.36	357.12	10.33	-42.03
COC1=NSC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109850	0	40	0.0	-55.33	358.04	8.14	-47.19
COC1=NSC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109850	1	40	0.0	-57.93	357.87	8.14	-49.79
CC1=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=NN1C	REAL300018109851	0	43	0.0	-54.02	349.75	10.01	-44.01
CC1=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=NN1C	REAL300018109851	1	43	0.0	-56.49	361.38	10.50	-45.99
O=C([O-])[C@@H]1C[N@H+](CC2=CN=C(C3CC3)O2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109852	0	43	0.0	-55.92	369.98	9.56	-46.36
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=C(C3CC3)O2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109852	1	43	0.0	-56.16	367.10	9.44	-46.72
CN1N=CN=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109853	0	39	0.0	-60.72	334.68	10.32	-50.40
CN1N=CN=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109853	1	39	0.0	-61.69	337.65	10.40	-51.29
CCC1=CNC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109854	0	43	0.0	-54.03	364.20	10.16	-43.87
CCC1=CNC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109854	1	43	0.0	-57.97	363.63	10.23	-47.74
CC1=C(C)NC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109855	0	43	0.0	-53.74	362.52	9.94	-43.80
CC1=C(C)NC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109855	1	43	0.0	-57.92	361.79	10.01	-47.91
CCCN1N=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109856	0	46	0.0	-54.89	385.72	11.45	-43.44
CCCN1N=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109856	1	46	0.0	-56.93	384.96	11.42	-45.51
O=C([O-])[C@@H]1C[N@H+](CC2=C3CCCN3N=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109857	0	44	0.0	-57.41	367.90	10.85	-46.56
O=C([O-])[C@@H]1C[N@@H+](CC2=C3CCCN3N=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109857	1	44	0.0	-54.49	360.86	10.52	-43.97
O=C([O-])[C@@H]1C[N@H+](CC2=NN3CCCC3=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109858	0	44	0.0	-54.93	367.73	10.77	-44.16
O=C([O-])[C@@H]1C[N@@H+](CC2=NN3CCCC3=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109858	1	44	0.0	-51.97	365.54	10.64	-41.33
CC1(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300018109859	0	40	0.0	-42.79	328.80	11.41	-31.38
CC1(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)CC1	REAL300018109859	1	40	0.0	-48.78	328.27	11.39	-37.39
CC1=CC=C(CC[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109860	0	46	0.0	-50.20	382.53	13.68	-36.52
CC1=CC=C(CC[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1	REAL300018109860	1	46	0.0	-52.65	382.95	13.65	-39.00
CN1C=C(CCC[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109861	0	46	0.0	-55.83	384.54	11.51	-44.32
CN1C=C(CCC[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109861	1	46	0.0	-56.02	385.88	11.54	-44.48
CCC1=CN=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109862	0	42	0.0	-50.95	368.45	10.96	-39.99
CCC1=CN=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)S1	REAL300018109862	1	42	0.0	-48.09	368.47	10.92	-37.17
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(F)N=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109863	0	39	0.0	-59.74	341.07	10.33	-49.41
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(F)N=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109863	1	39	0.0	-62.71	338.95	10.25	-52.46
CCC1=CC=CC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109864	0	46	0.0	-50.02	368.87	13.37	-36.65
CCC1=CC=CC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109864	1	46	0.0	-49.15	374.57	13.51	-35.64
CC1=CC(F)=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109865	0	43	0.0	-54.47	364.49	12.83	-41.64
CC1=CC(F)=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=C1	REAL300018109865	1	43	0.0	-56.78	366.95	12.86	-43.92
O=C([O-])[C@@H]1C[N@H+](CC2=CON=C2C2CC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109866	0	43	0.0	-55.86	369.56	11.85	-44.01
O=C([O-])[C@@H]1C[N@@H+](CC2=CON=C2C2CC2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109866	1	43	0.0	-58.79	358.18	11.32	-47.47
O=C([O-])[C@@H]1C[N@H+](CC2=NOC(C3CC3)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109867	0	43	0.0	-55.93	369.91	11.97	-43.96
O=C([O-])[C@@H]1C[N@@H+](CC2=NOC(C3CC3)=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109867	1	43	0.0	-52.29	367.83	11.89	-40.40
CC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1O	REAL300018109868	0	44	0.0	-52.84	367.57	9.98	-42.86
CC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=C1O	REAL300018109868	1	44	0.0	-53.04	370.99	10.08	-42.96
CC1=CC=CC(F)=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109869	0	43	0.0	-46.23	354.66	12.44	-33.79
CC1=CC=CC(F)=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109869	1	43	0.0	-52.35	358.37	12.63	-39.72
CCN1C=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109870	0	43	0.0	-51.77	364.48	10.76	-41.01
CCN1C=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109870	1	43	0.0	-53.91	365.13	10.81	-43.10
CCCN1C=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109871	0	46	0.0	-51.59	386.00	11.52	-40.07
CCCN1C=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109871	1	46	0.0	-53.52	387.04	11.58	-41.94
CC(C)N1C=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109872	0	46	0.0	-49.41	384.52	11.30	-38.11
CC(C)N1C=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109872	1	46	0.0	-53.26	384.27	11.33	-41.93
CC1=CC=CC(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109873	0	42	0.0	-50.33	353.82	10.86	-39.47
CC1=CC=CC(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109873	1	42	0.0	-54.49	357.02	11.15	-43.34
CCCN1C=NC=C1C[N@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109874	0	46	0.0	-56.18	377.53	13.02	-43.16
CCCN1C=NC=C1C[N@@H+]1C[C@@H](C2=CC=C(Br)C=C2)[C@H](C(=O)[O-])C1	REAL300018109874	1	46	0.0	-56.62	385.04	13.03	-43.59
O=C([O-])[C@@H]1C[N@H+](CC=CC2=CC=NC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109875	0	43	0.0	-57.27	366.89	11.78	-45.49
O=C([O-])[C@@H]1C[N@@H+](CC=CC2=CC=NC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109875	1	43	0.0	-53.65	367.50	11.79	-41.86
CCC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=C1	REAL300018109876	0	45	0.0	-49.42	378.27	11.73	-37.69
CCC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)N=C1	REAL300018109876	1	45	0.0	-53.95	378.44	11.93	-42.02
CC1=CN(C)C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109877	0	43	0.0	-51.49	363.29	11.10	-40.39
CC1=CN(C)C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)=N1	REAL300018109877	1	43	0.0	-58.88	363.83	11.08	-47.80
O=C([O-])[C@@H]1C[N@H+](CC=CC2=CC=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109878	0	44	0.0	-52.44	371.56	13.53	-38.91
O=C([O-])[C@@H]1C[N@@H+](CC=CC2=CC=CC=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109878	1	44	0.0	-49.37	372.49	13.56	-35.81
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(CF)C=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109879	0	43	0.0	-54.46	367.49	12.96	-41.50
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(CF)C=C2)C[C@H]1C1=CC=C(Br)C=C1	REAL300018109879	1	43	0.0	-53.19	364.48	12.90	-40.29
C=CCN1C=C(C[N@@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109880	0	44	0.0	-53.36	377.59	11.39	-41.97
C=CCN1C=C(C[N@H+]2C[C@@H](C3=CC=C(Br)C=C3)[C@H](C(=O)[O-])C2)C=N1	REAL300018109880	1	44	0.0	-53.25	377.92	11.43	-41.82
O=C([O-])[C@@H]1C[N@H+](CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C[C@H]1C1CC1	REAL300018109881	0	43	0.0	-63.14	367.88	10.58	-52.56
O=C([O-])[C@@H]1C[N@@H+](CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)C[C@H]1C1CC1	REAL300018109881	1	43	0.0	-60.66	368.01	10.59	-50.07
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Cl)=CC3=C2OCC3)C[C@H]1C1CC1	REAL300018109882	0	42	0.0	-47.18	339.42	10.39	-36.79
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Cl)=CC3=C2OCC3)C[C@H]1C1CC1	REAL300018109882	1	42	0.0	-48.77	332.29	10.51	-38.26
COC1=CC=C(OC2=CC=C(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)C=C1	REAL300018109883	0	52	0.0	-60.48	409.76	12.30	-48.18
COC1=CC=C(OC2=CC=C(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2)C=C1	REAL300018109883	1	52	0.0	-54.37	402.05	12.06	-42.31
CN1C=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CCCCC2)=N1	REAL300018109884	0	53	0.0	-51.83	399.24	11.72	-40.11
CN1C=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C2CCCCC2)=N1	REAL300018109884	1	53	0.0	-55.00	400.68	11.82	-43.18
O=C([O-])[C@@H]1C[N@H+](CC2=CN(CC3=CC=CN=C3)N=N2)C[C@H]1C1CC1	REAL300018109885	0	45	0.0	-69.65	365.23	8.75	-60.90
O=C([O-])[C@@H]1C[N@@H+](CC2=CN(CC3=CC=CN=C3)N=N2)C[C@H]1C1CC1	REAL300018109885	1	45	0.0	-58.84	367.07	8.77	-50.07
O=C([O-])[C@@H]1C[N@H+](CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)C[C@H]1C1CC1	REAL300018109886	0	43	0.0	-62.66	377.20	11.00	-51.66
O=C([O-])[C@@H]1C[N@@H+](CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)C[C@H]1C1CC1	REAL300018109886	1	43	0.0	-60.21	377.32	11.00	-49.21
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(OCC(F)(F)F)C(F)=C2)C[C@H]1C1CC1	REAL300018109887	0	44	0.0	-60.79	368.91	10.94	-49.85
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(OCC(F)(F)F)C(F)=C2)C[C@H]1C1CC1	REAL300018109887	1	44	0.0	-60.22	369.55	10.94	-49.28
O=C([O-])[C@@H]1C[N@H+](CC=CC2=CC=C(F)C=C2F)C[C@H]1C1CC1	REAL300018109888	0	41	0.0	-52.69	334.81	11.60	-41.09
O=C([O-])[C@@H]1C[N@@H+](CC=CC2=CC=C(F)C=C2F)C[C@H]1C1CC1	REAL300018109888	1	41	0.0	-57.93	331.96	11.46	-46.47
O=C([O-])[C@@H]1C[N@H+](CC2=C(Br)C=CS2)C[C@H]1C1CC1	REAL300018109889	0	34	0.0	-44.79	302.94	9.87	-34.92
O=C([O-])[C@@H]1C[N@@H+](CC2=C(Br)C=CS2)C[C@H]1C1CC1	REAL300018109889	1	34	0.0	-45.86	296.22	9.63	-36.23
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Br)=CC3=C2OCC3)C[C@H]1C1CC1	REAL300018109890	0	42	0.0	-47.21	343.98	10.49	-36.72
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Br)=CC3=C2OCC3)C[C@H]1C1CC1	REAL300018109890	1	42	0.0	-48.68	336.86	10.61	-38.07
CC(C)C1=CC=C(CC[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300018109891	0	49	0.0	-50.79	368.49	12.74	-38.05
CC(C)C1=CC=C(CC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300018109891	1	49	0.0	-46.22	374.66	12.95	-33.27
O=C([O-])[C@@H]1C[N@H+](CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C[C@H]1C1CC1	REAL300018109892	0	43	0.0	-57.39	374.12	11.77	-45.62
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=C(C3=CC=C(Cl)C=C3)S2)C[C@H]1C1CC1	REAL300018109892	1	43	0.0	-55.44	374.83	11.77	-43.67
O=C([O-])[C@@H]1C[N@H+](CC2=C(F)C=CC=C2OC(F)(F)F)C[C@H]1C1CC1	REAL300018109893	0	41	0.0	-50.50	338.05	10.17	-40.33
O=C([O-])[C@@H]1C[N@@H+](CC2=C(F)C=CC=C2OC(F)(F)F)C[C@H]1C1CC1	REAL300018109893	1	41	0.0	-43.81	338.49	10.18	-33.63
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109894	0	56	0.0	-53.33	428.00	13.65	-39.68
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109894	1	56	0.0	-52.24	421.08	13.46	-38.78
CN(C)CC1=CN=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109895	0	44	0.0	-50.47	353.54	6.96	-43.51
CN(C)CC1=CN=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109895	1	44	0.0	-49.05	355.62	7.05	-42.00
O=C([O-])[C@@H]1C[N@H+](CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C[C@H]1C1CC1	REAL300018109896	0	47	0.0	-64.11	389.84	12.39	-51.72
O=C([O-])[C@@H]1C[N@@H+](CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)C[C@H]1C1CC1	REAL300018109896	1	47	0.0	-59.32	383.86	12.11	-47.21
CC1=CC=CC=C1N1C=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=N1	REAL300018109897	0	46	0.0	-61.15	366.40	10.92	-50.23
CC1=CC=CC=C1N1C=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N=N1	REAL300018109897	1	46	0.0	-57.05	367.85	10.93	-46.12
COCCOCC1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300018109898	0	51	0.0	-54.65	396.54	9.93	-44.72
COCCOCC1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300018109898	1	51	0.0	-52.62	394.40	9.89	-42.73
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109899	0	45	0.0	-45.38	364.27	10.66	-34.72
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109899	1	45	0.0	-42.50	364.43	10.67	-31.83
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(C3CCCC3)C=C2)C[C@H]1C1CC1	REAL300018109900	0	50	0.0	-53.33	375.86	13.37	-39.96
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(C3CCCC3)C=C2)C[C@H]1C1CC1	REAL300018109900	1	50	0.0	-49.06	368.08	13.15	-35.91
CN1N=CC=C1C1=CC=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109901	0	47	0.0	-47.75	367.69	11.16	-36.59
CN1N=CC=C1C1=CC=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109901	1	47	0.0	-48.67	357.45	10.76	-37.91
O=C([O-])[C@@H]1C[N@H+](CC2=C(Cl)C=CC=C2N2CCOCC2)C[C@H]1C1CC1	REAL300018109902	0	50	0.0	-47.27	389.02	9.92	-37.35
O=C([O-])[C@@H]1C[N@@H+](CC2=C(Cl)C=CC=C2N2CCOCC2)C[C@H]1C1CC1	REAL300018109902	1	50	0.0	-42.19	384.12	10.34	-31.85
CC1CN(C2=CC=CC=C2C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCO1	REAL300018109903	0	53	0.0	-49.02	394.97	10.52	-38.50
CC1CN(C2=CC=CC=C2C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)CCO1	REAL300018109903	1	53	0.0	-47.75	390.38	11.71	-36.04
CC1=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N2C(C3CC3)=CSC2=N1	REAL300018109904	0	47	0.0	-53.37	371.53	12.06	-41.31
CC1=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)N2C(C3CC3)=CSC2=N1	REAL300018109904	1	47	0.0	-55.74	364.42	11.83	-43.91
CC1=CC=CC=C1C1=CC=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109905	0	50	0.0	-44.80	382.09	14.07	-30.73
CC1=CC=CC=C1C1=CC=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109905	1	50	0.0	-43.32	371.31	13.86	-29.46
O=C([O-])[C@@H]1C[N@H+](CC2=CC=NN2C2CCCC2)C[C@H]1C1CC1	REAL300018109906	0	47	0.0	-59.14	359.25	10.71	-48.43
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=NN2C2CCCC2)C[C@H]1C1CC1	REAL300018109906	1	47	0.0	-56.53	359.61	10.71	-45.82
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109907	0	47	0.0	-59.19	377.80	12.07	-47.12
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109907	1	47	0.0	-60.45	378.96	12.07	-48.38
CC1=CC(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=C1C(F)(F)F	REAL300018109908	0	43	0.0	-59.67	345.93	11.67	-48.00
CC1=CC(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=CC=C1C(F)(F)F	REAL300018109908	1	43	0.0	-58.44	339.62	11.42	-47.02
O=C([O-])[C@@H]1C[N@H+](CC2=CN=NN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109909	0	43	0.0	-61.67	335.95	9.38	-52.29
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=NN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109909	1	43	0.0	-63.17	343.88	9.84	-53.33
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(OC3=CC=C(F)C=C3)N=C2)C[C@H]1C1CC1	REAL300018109910	0	47	0.0	-59.54	384.75	10.57	-48.97
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(OC3=CC=C(F)C=C3)N=C2)C[C@H]1C1CC1	REAL300018109910	1	47	0.0	-57.48	385.53	10.61	-46.87
COC1=CC=C(C2=CC(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC3=C2OCO3)C=N1	REAL300018109911	0	53	0.0	-64.91	425.63	9.19	-55.72
COC1=CC=C(C2=CC(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC3=C2OCO3)C=N1	REAL300018109911	1	53	0.0	-61.63	426.27	9.20	-52.43
CCCCOC1=CC=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109912	0	50	0.0	-47.17	385.52	12.06	-35.11
CCCCOC1=CC=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109912	1	50	0.0	-45.40	379.70	12.24	-33.16
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C3OCCOC3=C2)C[C@H]1C1CC1	REAL300018109913	0	43	0.0	-57.04	336.26	9.33	-47.71
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C3OCCOC3=C2)C[C@H]1C1CC1	REAL300018109913	1	43	0.0	-54.44	336.90	9.34	-45.10
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC(Br)=C2)C[C@H]1C1CC1	REAL300018109914	0	37	0.0	-54.82	312.20	10.75	-44.07
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC(Br)=C2)C[C@H]1C1CC1	REAL300018109914	1	37	0.0	-52.13	312.94	10.76	-41.37
COC1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1OC	REAL300018109915	0	45	0.0	-58.78	350.32	9.35	-49.43
COC1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1OC	REAL300018109915	1	45	0.0	-56.40	343.75	9.19	-47.21
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300018109916	0	40	0.0	-44.71	320.42	11.16	-33.55
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300018109916	1	40	0.0	-42.43	319.16	11.06	-31.37
CCOC1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1OC	REAL300018109917	0	48	0.0	-58.45	372.35	10.29	-48.16
CCOC1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1OC	REAL300018109917	1	48	0.0	-56.33	365.61	10.11	-46.22
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(C3=CC=C(F)C=C3)O2)C[C@H]1C1CC1	REAL300018109918	0	44	0.0	-56.72	359.16	12.16	-44.56
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(C3=CC=C(F)C=C3)O2)C[C@H]1C1CC1	REAL300018109918	1	44	0.0	-53.04	352.16	11.96	-41.08
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Br)=CS2)C[C@H]1C1CC1	REAL300018109919	0	34	0.0	-51.87	305.02	9.97	-41.90
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Br)=CS2)C[C@H]1C1CC1	REAL300018109919	1	34	0.0	-54.73	298.48	9.73	-45.00
O=C([O-])[C@@H]1C[N@H+](CC2=CSC(C3=CC=C(F)C=C3)=N2)C[C@H]1C1CC1	REAL300018109920	0	43	0.0	-56.69	364.73	11.17	-45.52
O=C([O-])[C@@H]1C[N@@H+](CC2=CSC(C3=CC=C(F)C=C3)=N2)C[C@H]1C1CC1	REAL300018109920	1	43	0.0	-54.57	363.05	11.04	-43.53
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(N3C=CC=N3)C=C2)C[C@H]1C1CC1	REAL300018109921	0	44	0.0	-55.93	348.82	11.31	-44.62
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(N3C=CC=N3)C=C2)C[C@H]1C1CC1	REAL300018109921	1	44	0.0	-64.32	347.61	11.29	-53.03
COC1=NC2=CC=CC=C2C=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109922	0	46	0.0	-61.57	355.82	9.25	-52.32
COC1=NC2=CC=CC=C2C=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109922	1	46	0.0	-53.00	358.22	9.00	-44.00
O=C([O-])[C@@H]1C[N@H+](CC2=CC(C(F)(F)F)=CC=C2Cl)C[C@H]1C1CC1	REAL300018109923	0	40	0.0	-48.66	338.86	11.50	-37.16
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(C(F)(F)F)=CC=C2Cl)C[C@H]1C1CC1	REAL300018109923	1	40	0.0	-48.82	337.54	11.52	-37.30
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(F)C(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109924	0	40	0.0	-66.52	335.72	11.21	-55.31
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(F)C(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109924	1	40	0.0	-58.99	336.72	11.24	-47.75
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Cl)=CC=C2Cl)C[C@H]1C1CC1	REAL300018109925	0	37	0.0	-45.41	321.26	11.16	-34.25
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Cl)=CC=C2Cl)C[C@H]1C1CC1	REAL300018109925	1	37	0.0	-48.51	322.80	11.26	-37.25
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(F)C=C2C(F)(F)F)C[C@H]1C1CC1	REAL300018109926	0	40	0.0	-45.08	327.88	11.24	-33.84
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(F)C=C2C(F)(F)F)C[C@H]1C1CC1	REAL300018109926	1	40	0.0	-45.06	325.55	11.12	-33.94
O=C([O-])[C@@H]1C[N@H+](CC2=CC(F)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109927	0	40	0.0	-58.92	338.12	11.27	-47.65
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(F)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109927	1	40	0.0	-61.14	335.69	11.21	-49.93
O=C([O-])[C@@H]1C[N@H+](CC2=CC(F)=CC=C2Br)C[C@H]1C1CC1	REAL300018109928	0	37	0.0	-45.32	314.60	10.81	-34.51
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(F)=CC=C2Br)C[C@H]1C1CC1	REAL300018109928	1	37	0.0	-48.77	316.09	10.89	-37.88
O=C([O-])[C@@H]1C[N@H+](CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109929	0	43	0.0	-58.39	368.65	12.14	-46.25
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109929	1	43	0.0	-57.81	370.01	12.17	-45.64
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@H]1C1CC1	REAL300018109930	0	46	0.0	-53.01	363.14	12.04	-40.97
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@H]1C1CC1	REAL300018109930	1	46	0.0	-53.27	356.67	11.88	-41.39
CC1=NN(C(C)(C)C)C(C)=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109931	0	52	0.0	-57.87	380.37	10.49	-47.38
CC1=NN(C(C)(C)C)C(C)=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109931	1	52	0.0	-53.40	382.52	10.56	-42.84
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Br)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109932	0	40	0.0	-57.88	353.00	11.81	-46.07
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Br)=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109932	1	40	0.0	-60.20	350.57	11.74	-48.46
CC1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(Br)=C1	REAL300018109933	0	40	0.0	-45.71	329.95	11.42	-34.29
CC1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(Br)=C1	REAL300018109933	1	40	0.0	-47.95	331.08	11.50	-36.45
O=C([O-])[C@@H]1C[N@H+](CC2=NC=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300018109934	0	39	0.0	-47.36	317.17	9.42	-37.94
O=C([O-])[C@@H]1C[N@@H+](CC2=NC=CC=C2C(F)(F)F)C[C@H]1C1CC1	REAL300018109934	1	39	0.0	-43.82	310.21	9.23	-34.59
COC1=CC=C2OC(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC2=C1	REAL300018109935	0	44	0.0	-60.75	350.63	10.07	-50.68
COC1=CC=C2OC(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)=CC2=C1	REAL300018109935	1	44	0.0	-55.61	342.98	9.82	-45.79
CC1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1Br	REAL300018109936	0	40	0.0	-57.95	331.26	11.36	-46.59
CC1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1Br	REAL300018109936	1	40	0.0	-51.75	331.92	11.36	-40.39
O=C([O-])[C@@H]1C[N@H+](CC2=CN=C3C=CSC3=C2)C[C@H]1C1CC1	REAL300018109937	0	39	0.0	-59.96	323.62	9.67	-50.29
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=C3C=CSC3=C2)C[C@H]1C1CC1	REAL300018109937	1	39	0.0	-57.50	324.47	9.64	-47.86
CN1C2=CC(Cl)=CC=C2N=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109938	0	43	0.0	-65.69	354.93	10.91	-54.78
CN1C2=CC(Cl)=CC=C2N=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109938	1	43	0.0	-56.95	358.06	11.03	-45.92
CC1=CC(Cl)=CC(C)=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109939	0	43	0.0	-50.44	333.34	11.43	-39.01
CC1=CC(Cl)=CC(C)=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109939	1	43	0.0	-51.08	337.78	11.69	-39.39
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(OC(F)F)C(F)=C2)C[C@H]1C1CC1	REAL300018109940	0	41	0.0	-60.86	337.24	9.82	-51.04
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(OC(F)F)C(F)=C2)C[C@H]1C1CC1	REAL300018109940	1	41	0.0	-58.16	337.88	9.82	-48.34
CC1=NN2C(=NC(C)=C2C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109941	0	42	0.0	-54.41	341.26	9.11	-45.30
CC1=NN2C(=NC(C)=C2C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109941	1	42	0.0	-58.44	347.48	9.44	-49.00
O=C([O-])[C@@H]1C[N@H+](CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C[C@H]1C1CC1	REAL300018109942	0	51	0.0	-56.13	408.22	13.46	-42.67
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C[C@H]1C1CC1	REAL300018109942	1	51	0.0	-52.43	410.23	13.54	-38.89
CN1C2=CC=C(Cl)C=C2N=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109943	0	43	0.0	-53.18	347.22	10.59	-42.59
CN1C2=CC=C(Cl)C=C2N=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109943	1	43	0.0	-59.26	351.32	10.72	-48.54
CC(C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC(Br)=C1	REAL300018109944	0	43	0.0	-58.22	347.22	12.01	-46.21
CC(C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC(Br)=C1	REAL300018109944	1	43	0.0	-49.33	351.77	12.08	-37.25
COC1=CC(Cl)=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1Cl	REAL300018109945	0	41	0.0	-48.10	345.27	10.32	-37.78
COC1=CC(Cl)=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1Cl	REAL300018109945	1	41	0.0	-49.89	345.36	10.41	-39.48
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CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109948	0	59	0.0	-52.36	444.43	14.40	-37.96
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109948	1	59	0.0	-48.74	445.04	13.95	-34.79
CC1(C)CCC2=C(C1)SC(C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C3CC3)C1)=N2	REAL300018109949	0	49	0.0	-46.20	370.33	10.63	-35.57
CC1(C)CCC2=C(C1)SC(C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C3CC3)C1)=N2	REAL300018109949	1	49	0.0	-51.05	378.24	10.95	-40.10
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COC1=C(Br)C=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109951	0	38	0.0	-52.84	329.43	9.20	-43.64
COC1=C(Br)C=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109951	1	38	0.0	-56.52	329.27	9.15	-47.37
O=C([O-])[C@@H]1C[N@H+](CC2=CN=CC(Br)=C2)C[C@H]1C1CC1	REAL300018109952	0	36	0.0	-59.34	306.21	8.92	-50.42
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=CC(Br)=C2)C[C@H]1C1CC1	REAL300018109952	1	36	0.0	-55.39	300.18	8.74	-46.65
CCN1N=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CC=C21	REAL300018109953	0	46	0.0	-48.40	355.81	10.65	-37.75
CCN1N=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C2=CC=CC=C21	REAL300018109953	1	46	0.0	-53.37	358.52	10.82	-42.55
O=C([O-])[C@@H]1C[N@H+](CCCCC2=CC=CC(C(F)(F)F)=C2)C[C@H]1C1CC1	REAL300018109954	0	49	0.0	-56.28	393.78	13.47	-42.81
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CCSC1=CC=CC(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300018109955	0	44	0.0	-54.15	347.12	11.81	-42.34
CCSC1=CC=CC(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)=C1	REAL300018109955	1	44	0.0	-51.03	354.23	12.04	-38.99
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COC1=CC=C(C2=CC=NC=C2)C=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109957	0	50	0.0	-53.50	390.32	11.25	-42.25
COC1=CC=C(C2=CC=NC=C2)C=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109957	1	50	0.0	-53.09	390.38	11.28	-41.81
O=C([O-])[C@@H]1C[N@H+](CCCC2=CC=C3OCCC3=C2)C[C@H]1C1CC1	REAL300018109959	0	48	0.0	-57.20	371.57	11.61	-45.59
O=C([O-])[C@@H]1C[N@@H+](CCCC2=CC=C3OCCC3=C2)C[C@H]1C1CC1	REAL300018109959	1	48	0.0	-58.23	371.43	11.65	-46.58
COC1=C(Br)C=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109960	0	41	0.0	-46.67	337.03	10.07	-36.60
COC1=C(Br)C=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109960	1	41	0.0	-51.36	335.17	10.13	-41.23
O=C([O-])[C@@H]1C[N@H+](CC2=CN(CC3=CC=C(F)C=C3)N=C2)C[C@H]1C1CC1	REAL300018109961	0	47	0.0	-63.83	383.04	11.92	-51.91
O=C([O-])[C@@H]1C[N@@H+](CC2=CN(CC3=CC=C(F)C=C3)N=C2)C[C@H]1C1CC1	REAL300018109961	1	47	0.0	-56.55	383.76	11.93	-44.62
O=C([O-])[C@@H]1C[N@H+](CCCC2=C(F)C=CC=C2Cl)C[C@H]1C1CC1	REAL300018109962	0	43	0.0	-53.87	354.49	12.19	-41.68
O=C([O-])[C@@H]1C[N@@H+](CCCC2=C(F)C=CC=C2Cl)C[C@H]1C1CC1	REAL300018109962	1	43	0.0	-51.70	354.90	12.25	-39.45
CC1=NC2=CC=C(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2C=C1	REAL300018109963	0	45	0.0	-63.14	353.93	11.13	-52.01
CC1=NC2=CC=C(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)C=C2C=C1	REAL300018109963	1	45	0.0	-57.83	354.93	11.16	-46.67
CC(C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC(Cl)=C1	REAL300018109964	0	43	0.0	-58.19	342.65	11.91	-46.28
CC(C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1)C1=CC=CC(Cl)=C1	REAL300018109964	1	43	0.0	-49.45	347.20	11.98	-37.47
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(Br)O2)C[C@H]1C1CC1	REAL300018109965	0	34	0.0	-56.65	296.62	9.13	-47.52
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(Br)O2)C[C@H]1C1CC1	REAL300018109965	1	34	0.0	-52.11	287.94	8.87	-43.24
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109966	0	43	0.0	-54.67	347.91	11.91	-42.76
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109966	1	43	0.0	-55.00	347.90	11.86	-43.14
COC1=CC=C2N=C(C[N@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)SC2=C1	REAL300018109967	0	43	0.0	-55.35	353.72	9.00	-46.35
COC1=CC=C2N=C(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)SC2=C1	REAL300018109967	1	43	0.0	-53.07	355.63	9.08	-43.99
CCC1=CC=CC(Cl)=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109968	0	43	0.0	-49.83	336.99	11.72	-38.11
CCC1=CC=CC(Cl)=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109968	1	43	0.0	-43.65	333.15	11.75	-31.90
O=C([O-])[C@@H]1C[N@H+](CC2=CC(Br)=C(Cl)S2)C[C@H]1C1CC1	REAL300018109969	0	34	0.0	-57.77	320.04	10.52	-47.25
O=C([O-])[C@@H]1C[N@@H+](CC2=CC(Br)=C(Cl)S2)C[C@H]1C1CC1	REAL300018109969	1	34	0.0	-51.42	320.96	10.52	-40.90
CCN(C)C1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300018109970	0	47	0.0	-55.46	362.04	10.96	-44.50
CCN(C)C1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300018109970	1	47	0.0	-54.83	355.74	10.69	-44.14
COCCN(C)C1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300018109971	0	51	0.0	-56.44	393.42	10.15	-46.29
COCCN(C)C1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300018109971	1	51	0.0	-53.51	394.33	10.38	-43.13
CC(C)N(C)C1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300018109972	0	50	0.0	-55.33	378.26	11.49	-43.84
CC(C)N(C)C1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=N1	REAL300018109972	1	50	0.0	-54.70	371.35	11.15	-43.55
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(OCC3CC3)C=C2)C[C@H]1C1CC1	REAL300018109973	0	48	0.0	-52.20	369.00	11.77	-40.43
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(OCC3CC3)C=C2)C[C@H]1C1CC1	REAL300018109973	1	48	0.0	-52.68	366.88	11.73	-40.95
O=C([O-])[C@@H]1C[N@H+](CC2=NC=CN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109974	0	44	0.0	-49.57	344.27	11.36	-38.21
O=C([O-])[C@@H]1C[N@@H+](CC2=NC=CN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109974	1	44	0.0	-48.04	350.69	11.76	-36.28
O=C([O-])[C@@H]1C[N@H+](CC2=NNC=C2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109975	0	44	0.0	-52.73	349.11	10.02	-42.71
O=C([O-])[C@@H]1C[N@@H+](CC2=NNC=C2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109975	1	44	0.0	-46.70	351.74	10.17	-36.53
O=C([O-])[C@@H]1C[N@H+](CC2=C(C3=CC=CC=C3)C=NN2)C[C@H]1C1CC1	REAL300018109975	1	44	0.0	-50.54	345.50	9.93	-40.61
O=C([O-])[C@@H]1C[N@@H+](CC2=C(C3=CC=CC=C3)C=NN2)C[C@H]1C1CC1	REAL300018109975	1	44	0.0	-55.86	352.37	10.18	-45.68
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(Cl)C(Br)=C2)C[C@H]1C1CC1	REAL300018109976	0	37	0.0	-57.45	327.89	11.24	-46.21
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(Cl)C(Br)=C2)C[C@H]1C1CC1	REAL300018109976	1	37	0.0	-56.53	321.14	11.06	-45.47
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(Br)C3=CC=CN=C23)C[C@H]1C1CC1	REAL300018109978	0	42	0.0	-48.78	349.85	11.19	-37.59
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(Br)C3=CC=CN=C23)C[C@H]1C1CC1	REAL300018109978	1	42	0.0	-50.74	349.73	11.28	-39.46
COC1=CC(Br)=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1O	REAL300018109979	0	42	0.0	-47.93	343.39	7.72	-40.21
COC1=CC(Br)=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1O	REAL300018109979	1	42	0.0	-52.26	349.87	7.98	-44.28
CC(C)SC1=CC(Br)=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109980	0	47	0.0	-48.02	387.22	13.13	-34.89
CC(C)SC1=CC(Br)=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109980	1	47	0.0	-48.83	388.75	13.20	-35.63
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(OC3=CC=CC=C3)O2)C[C@H]1C1CC1	REAL300018109981	0	45	0.0	-57.26	354.23	11.84	-45.42
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(OC3=CC=CC=C3)O2)C[C@H]1C1CC1	REAL300018109981	1	45	0.0	-55.49	352.30	11.77	-43.72
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109982	0	51	0.0	-50.19	394.79	12.98	-37.21
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109982	1	51	0.0	-48.46	388.86	13.16	-35.30
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(SC(F)F)C=C2)C[C@H]1C1CC1	REAL300018109983	0	41	0.0	-55.70	335.78	11.23	-44.47
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(SC(F)F)C=C2)C[C@H]1C1CC1	REAL300018109983	1	41	0.0	-53.73	333.67	11.19	-42.54
COC1=CC(C)=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C)=N1	REAL300018109984	0	46	0.0	-56.81	344.41	7.61	-49.20
COC1=CC(C)=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C(C)=N1	REAL300018109984	1	46	0.0	-57.04	341.98	7.67	-49.37
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(SC3=CC=CC=N3)O2)C[C@H]1C1CC1	REAL300018109985	0	44	0.0	-54.77	368.59	11.39	-43.38
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(SC3=CC=CC=N3)O2)C[C@H]1C1CC1	REAL300018109985	1	44	0.0	-57.39	368.00	11.37	-46.02
O=C([O-])[C@@H]1C[N@H+](CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C[C@H]1C1CC1	REAL300018109986	0	48	0.0	-59.08	388.40	13.15	-45.93
O=C([O-])[C@@H]1C[N@@H+](CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C[C@H]1C1CC1	REAL300018109986	1	48	0.0	-53.63	378.99	12.83	-40.80
CC(C)(C)C1=CC=C(CC[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300018109987	0	52	0.0	-50.62	384.47	13.14	-37.48
CC(C)(C)C1=CC=C(CC[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1	REAL300018109987	1	52	0.0	-46.19	390.64	13.34	-32.85
CCOC1=C(Cl)C=CC=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109988	0	44	0.0	-46.28	354.50	10.91	-35.37
CCOC1=C(Cl)C=CC=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109988	1	44	0.0	-52.08	352.77	11.22	-40.86
CN1N=CC(Br)=C1C[N@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109989	0	37	0.0	-60.02	308.93	8.14	-51.88
CN1N=CC(Br)=C1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	REAL300018109989	1	37	0.0	-52.25	311.31	8.21	-44.04
CCOC1=CC=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1F	REAL300018109990	0	44	0.0	-57.93	349.34	10.47	-47.46
CCOC1=CC=C(C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)C=C1F	REAL300018109990	1	44	0.0	-57.01	349.98	10.48	-46.53
O=C([O-])[C@@H]1C[N@H+](CC2=CN=C(C3=CC=CO3)S2)C[C@H]1C1CC1	REAL300018109991	0	40	0.0	-60.22	340.11	9.33	-50.89
O=C([O-])[C@@H]1C[N@@H+](CC2=CN=C(C3=CC=CO3)S2)C[C@H]1C1CC1	REAL300018109991	1	40	0.0	-57.21	340.94	9.33	-47.88
O=C([O-])[C@@H]1C[N@H+](CC2=CC=NN2C2=CC=CC=C2)C[C@H]1C1CC1	REAL300018109992	0	44	0.0	-54.22	336.19	10.46	-43.76
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CC(C)(C)C1=CN=C(C[N@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)S1	REAL300018109993	0	45	0.0	-49.73	357.81	9.93	-39.80
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CC(C)CCCC(C)[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112799	0	59	0.0	-57.40	408.91	11.93	-45.47
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CC(CC1=CC=CS1)[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112812	0	51	0.0	-51.97	380.22	11.51	-40.46
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CC1=CC(F)=CC=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112814	0	51	0.0	-60.95	376.57	11.76	-49.19
CC1(C)CCC2=CC(C[NH2+]C(CCC(=O)[O-])CC3CCCCC3)=CC=C2O1	REAL300018112815	0	62	0.0	-61.34	446.26	12.89	-48.45
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112816	0	63	0.0	-54.19	434.71	14.01	-40.18
CN(C)C1=CC=CC=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112817	0	56	0.0	-53.60	407.13	11.05	-42.55
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CN1CCN(C2=CC=C(C[NH2+]C(CCC(=O)[O-])CC3CCCCC3)C=C2)CC1	REAL300018112820	1	65	0.0	-55.52	460.99	9.74	-45.78
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CC1=NNC(C)=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112826	0	51	0.0	-60.23	375.92	8.60	-51.63
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CC(C)(C)N1C=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)C=N1	REAL300018112828	0	57	0.0	-59.56	418.09	10.89	-48.67
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COC1=CC=CC(C2=NNC=C2C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)=C1	REAL300018112832	0	59	0.0	-63.89	438.49	10.38	-53.51
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CC(C)C1=NN(C)C=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112837	0	57	0.0	-62.23	420.89	10.71	-51.52
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CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112842	0	60	0.0	-54.80	437.18	12.66	-42.14
COC1=NC=C(Br)C=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112843	0	51	0.0	-50.57	398.51	8.41	-42.16
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CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112966	0	54	0.0	-55.80	406.33	13.16	-42.64
CN1C=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)C(C2=CC=CC=C2)=N1	REAL300018112967	0	58	0.0	-60.90	431.95	12.39	-48.51
CCC1=NC=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)C=N1	REAL300018112968	0	52	0.0	-59.03	384.42	9.62	-49.41
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018112969	0	55	0.0	-57.00	414.15	12.27	-44.73
CCN1C=NC=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112970	0	51	0.0	-61.69	372.84	11.19	-50.50
CC1=NC=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)N1C	REAL300018112971	0	51	0.0	-64.08	376.22	10.02	-54.06
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018112972	0	53	0.0	-65.85	396.64	11.55	-54.30
CC1=C(Br)SC(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)=C1	REAL300018112973	0	48	0.0	-59.86	387.17	11.50	-48.36
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018112974	0	51	0.0	-61.39	376.29	9.70	-51.69
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018112975	0	51	0.0	-57.32	381.95	9.76	-47.56
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CN=C2CCCN12	REAL300018112976	0	52	0.0	-57.86	381.80	10.67	-47.19
CS(=O)(=O)N1CCC([NH2+]C(CCC(=O)[O-])CC2CCCCC2)CC1	REAL300018112977	0	56	0.0	-65.62	401.49	6.57	-59.05
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=C(F)C=N1	REAL300018112978	0	47	0.0	-60.07	357.17	9.33	-50.74
CC1=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)SC=N1	REAL300018112979	0	47	0.0	-59.87	359.19	8.80	-51.07
COC1=CC(F)=CC(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)=C1	REAL300018112980	0	52	0.0	-57.22	387.40	10.40	-46.82
CC(CC1=CN=CC=N1)[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112981	0	52	0.0	-59.12	376.96	8.53	-50.59
CC(C)(C)C1=NC=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)C=N1	REAL300018112982	0	58	0.0	-64.47	426.96	11.04	-53.43
COC1=CC=CC=C1N1CCC([NH2+]C(CCC(=O)[O-])CC2CCCCC2)CC1	REAL300018112983	0	64	0.0	-57.21	447.21	10.79	-46.42
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)C(Cl)=C1	REAL300018112984	0	51	0.0	-55.83	389.79	12.18	-43.65
COC1=CC=C(OC(F)F)C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)=C1	REAL300018112985	0	56	0.0	-59.27	423.08	9.98	-49.29
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300018112986	0	52	0.0	-52.71	407.39	11.10	-41.61
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018112987	0	50	0.0	-71.04	392.45	12.07	-58.97
O=C([O-])CCC(CC1CCCCC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018112988	0	51	0.0	-62.08	389.71	12.33	-49.75
O=C([O-])CCC(CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018112989	0	58	0.0	-56.84	402.97	13.03	-43.81
CC1=CC(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)=CC=C1OC1=CC=CN=C1	REAL300018112990	0	61	0.0	-59.81	460.08	12.87	-46.94
CC1=CC=C(C2=NC=C(C[NH2+]C(CCC(=O)[O-])CC3CCCCC3)S2)C=C1	REAL300018112991	0	57	0.0	-61.47	442.10	12.78	-48.69
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018112992	0	53	0.0	-52.31	407.98	12.10	-40.21
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018112993	0	53	0.0	-49.22	409.17	11.99	-37.23
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018112994	0	53	0.0	-59.19	401.20	11.62	-47.57
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018112995	0	53	0.0	-53.05	397.68	11.66	-41.39
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018112996	0	53	0.0	-58.33	410.05	12.01	-46.32
CS(=O)C1=CC=C(C[NH2+]C(CCC(=O)[O-])CC2CCCCC2)C=C1	REAL300018112997	0	53	0.0	-65.36	407.75	9.67	-55.69
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018112998	0	50	0.0	-69.56	396.60	12.19	-57.37
CC(C)CCN1C=CC=C1C[NH2+]C(CCC(=O)[O-])CC1CCCCC1	REAL300018112999	0	61	0.0	-57.09	435.84	13.41	-43.68
O=C([O-])CCC(CC1CCCCC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018113000	0	55	0.0	-60.30	430.53	13.13	-47.17
CC([NH2+]C1CC(C)(C)CC(C)(C)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113898	0	47	0.0	-64.30	356.03	8.00	-56.30
CC([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=NC=C(C(=O)[O-])S1	REAL300018113899	0	39	0.0	-70.53	344.50	8.84	-61.69
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C)C1=NC=C(C(=O)[O-])S1	REAL300018113900	0	45	0.0	-65.10	373.38	8.83	-56.27
CC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113902	1	39	0.0	-69.05	352.13	9.28	-59.77
CC([NH2+]CC1=CC2=CC=CC=C2S1)C1=NC=C(C(=O)[O-])S1	REAL300018113903	0	35	0.0	-67.04	322.16	8.19	-58.85
CC(C)OC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113904	1	42	0.0	-68.11	354.04	7.51	-60.60
CCCCCCCOC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113905	1	54	0.0	-67.90	443.61	10.81	-57.09
CC(C[NH2+]C(C)C1=NC=C(C(=O)[O-])S1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018113906	0	53	0.0	-65.97	417.74	11.02	-54.95
CC([NH2+]CC1=C2NC=CC2=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113907	1	36	0.0	-67.98	316.13	6.65	-61.33
CC(C)CC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113909	1	44	0.0	-64.91	365.97	9.35	-55.56
CC1=CC=C(C2=CC=CC(C[NH2+]C(C)C3=NC=C(C(=O)[O-])S3)=C2)C=C1	REAL300018113910	1	45	0.0	-68.60	380.38	10.74	-57.86
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113913	1	32	0.0	-70.94	318.22	7.67	-63.27
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113914	1	45	0.0	-67.47	380.82	10.74	-56.73
CC([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113915	1	36	0.0	-70.76	324.02	6.24	-64.52
CCOC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1OCC	REAL300018113916	1	46	0.0	-71.99	387.21	7.70	-64.29
CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113917	1	35	0.0	-76.01	336.65	8.07	-67.94
CC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113919	1	35	0.0	-77.70	324.36	5.76	-71.94
CC([NH2+]CC1=CC=NC2=CC=CC=C12)C1=NC=C(C(=O)[O-])S1	REAL300018113920	1	37	0.0	-73.86	321.22	6.90	-66.96
CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113921	1	36	0.0	-70.73	330.76	6.45	-64.28
CC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113922	1	38	0.0	-78.89	345.45	4.18	-74.71
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113923	1	46	0.0	-68.67	392.98	9.72	-58.95
CC(CCOCC1=CC=CC=C1)[NH2+]C(C)C1=NC=C(C(=O)[O-])S1	REAL300018113924	0	45	0.0	-63.48	375.50	8.06	-55.42
CC([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113925	0	39	0.0	-67.70	345.05	8.95	-58.75
CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113926	1	42	0.0	-69.47	375.71	10.60	-58.87
CC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113927	1	42	0.0	-70.17	375.70	10.58	-59.59
CC([NH2+]CC1=CC=C2OCCC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113930	1	37	0.0	-70.06	320.65	6.50	-63.56
COC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1OCC1=CC=CN=C1	REAL300018113932	1	49	0.0	-76.55	420.11	8.05	-68.50
CC([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113933	1	43	0.0	-70.60	358.68	6.56	-64.04
CC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113934	1	40	0.0	-79.32	358.34	3.37	-75.95
CC([NH2+]CC1=C2C=CNC2=CC=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113935	0	36	0.0	-64.59	315.95	6.68	-57.91
CC([NH2+]CC1=CC=C2C=CNC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113936	1	36	0.0	-68.56	316.13	6.68	-61.88
CC([NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113938	1	46	0.0	-68.52	375.38	8.47	-60.05
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C)C1=NC=C(C(=O)[O-])S1	REAL300018113939	0	47	0.0	-61.23	363.67	9.58	-51.65
CC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113940	1	41	0.0	-70.58	353.99	8.30	-62.28
CC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113941	1	41	0.0	-72.26	354.18	8.31	-63.95
CC(NCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113942	0	49	0.0	-72.92	395.82	6.53	-66.39
CC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113943	1	41	0.0	-73.45	366.18	5.15	-68.30
CC([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113944	0	42	0.0	-67.44	344.67	4.50	-62.94
CC([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113945	0	47	0.0	-63.45	392.81	7.58	-55.87
CC(NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113945	1	47	0.0	-76.92	396.58	8.91	-68.01
CC([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113946	0	47	0.0	-62.61	391.24	7.52	-55.09
CC(NC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113946	1	47	0.0	-61.99	393.90	9.01	-52.98
CC([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113947	0	46	0.0	-64.95	372.37	5.39	-59.56
CC(NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113947	1	46	0.0	-65.16	375.56	7.09	-58.07
CC1=CC(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=CC(C)=C1OCC1=CC=CC=N1	REAL300018113951	1	51	0.0	-70.84	432.90	9.86	-60.98
CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113952	1	39	0.0	-71.65	355.70	7.34	-64.31
CC(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113953	0	51	0.0	-70.71	417.21	8.23	-62.48
CC([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=NC=C(C(=O)[O-])S1	REAL300018113954	1	39	0.0	-67.84	369.35	9.93	-57.91
COC1=CC(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=CC=C1OCC(F)(F)F	REAL300018113955	1	43	0.0	-75.65	384.93	7.24	-68.41
CC([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113957	1	45	0.0	-71.85	390.92	8.18	-63.67
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113958	1	45	0.0	-69.98	388.79	8.25	-61.73
CC(NCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113959	0	47	0.0	-72.29	391.93	7.11	-65.18
CC([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113960	1	38	0.0	-72.44	349.61	6.48	-65.96
CC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113961	1	42	0.0	-77.32	384.29	8.82	-68.50
COCCOC1=CC=CC(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113962	1	43	0.0	-67.86	369.74	6.16	-61.70
COC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300018113963	1	36	0.0	-71.56	330.29	6.51	-65.05
CC([NH2+]CC1=CC2=CC(Br)=CC=C2OC1)C1=NC=C(C(=O)[O-])S1	REAL300018113964	1	38	0.0	-71.21	352.10	7.78	-63.43
CC([NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)C1=NC=C(C(=O)[O-])S1	REAL300018113965	1	38	0.0	-73.64	363.66	8.21	-65.43
CC([NH2+]CC1=CC=CC2=NC=CC=C12)C1=NC=C(C(=O)[O-])S1	REAL300018113970	0	37	0.0	-73.41	320.87	6.91	-66.50
CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113971	1	39	0.0	-69.37	355.69	7.35	-62.02
CC([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113974	0	39	0.0	-66.40	345.06	8.95	-57.45
CC([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113975	0	39	0.0	-66.36	349.63	9.06	-57.30
CC([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113976	0	39	0.0	-65.66	341.17	8.87	-56.79
CCCOC1=CC=CC(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113979	1	42	0.0	-66.52	357.62	7.69	-58.83
C#CCCOC1=CC=C(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113980	1	41	0.0	-69.02	363.40	8.21	-60.81
CC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=NC=C(C(=O)[O-])S1	REAL300018113981	1	39	0.0	-67.18	350.82	9.23	-57.95
CC([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113982	1	39	0.0	-72.68	361.47	9.43	-63.25
CC1=C2C=C(C[NH2+]C(C)C3=NC=C(C(=O)[O-])S3)C=NC2=NN1	REAL300018113983	1	37	0.0	-81.69	327.83	5.18	-76.51
CC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113984	1	46	0.0	-66.12	379.49	8.88	-57.24
CC([NH2+]CC1=CN=C2C=CC=CN12)C1=NC=C(C(=O)[O-])S1	REAL300018113985	1	35	0.0	-73.16	311.62	7.09	-66.07
CC([NH2+]CC1=CN=C(N(C)C)S1)C1=NC=C(C(=O)[O-])S1	REAL300018113986	1	36	0.0	-66.61	326.39	5.58	-61.03
CC(C)OC1=CC=CC(C[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113987	1	42	0.0	-66.37	354.03	7.51	-58.86
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=NC=C(C(=O)[O-])S1	REAL300018113991	1	46	0.0	-68.95	399.75	10.11	-58.84
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C)C1=NC=C(C(=O)[O-])S1	REAL300018113993	0	41	0.0	-66.48	342.60	8.51	-57.97
CC1=CC=CC(CCC(C)[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)=C1	REAL300018113994	0	44	0.0	-63.50	362.88	9.44	-54.06
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C)C1=NC=C(C(=O)[O-])S1	REAL300018113995	0	44	0.0	-66.47	380.53	9.79	-56.68
CC1=CC=C(CCC(C)[NH2+]C(C)C2=NC=C(C(=O)[O-])S2)C=C1	REAL300018113996	0	44	0.0	-64.54	364.51	9.50	-55.04
CC([NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113997	0	47	0.0	-61.51	392.95	7.42	-54.09
CC([NH2+]C1CCN(C(C)C2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113998	0	47	0.0	-65.37	380.93	7.29	-58.08
CC(NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113998	1	47	0.0	-68.30	377.04	8.32	-59.98
CC(NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C1=NC=C(C(=O)[O-])S1	REAL300018113998	1	47	0.0	-68.82	378.57	8.32	-60.50
CC(NC1CC[NH+](CC2CC2)CC1)C1=NC=C(C(=O)[O-])S1	REAL300018113999	0	44	0.0	-68.89	354.35	7.03	-61.86
CC1(C)CC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC(C)(C)C1	REAL300018120315	0	55	0.0	-39.50	378.12	8.57	-30.93
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018120316	0	47	0.0	-34.63	364.57	9.51	-25.12
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120317	0	53	0.0	-35.69	392.24	9.51	-26.18
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(Cl)=C1OC	REAL300018120318	0	48	0.0	-35.66	379.29	7.11	-28.55
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018120319	0	47	0.0	-38.87	375.96	9.91	-28.96
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018120320	0	43	0.0	-29.67	345.61	8.98	-20.69
CC(C)OC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120321	0	50	0.0	-38.56	379.52	8.23	-30.33
CCCCCCCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120322	0	62	0.0	-37.02	464.57	11.36	-25.66
CC(C[NH2+]C(CC1CCCOC1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018120323	0	61	0.0	-38.63	441.52	11.66	-26.97
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018120324	0	44	0.0	-29.33	337.67	7.42	-21.91
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018120325	0	39	0.0	-42.58	328.27	7.25	-35.33
CC(C)CC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120326	0	52	0.0	-35.76	386.86	9.90	-25.86
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=C2)C=C1	REAL300018120327	0	53	0.0	-40.04	404.23	11.38	-28.66
COC1=CC=C(Br)C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120328	0	44	0.0	-28.58	347.84	7.17	-21.41
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018120329	0	46	0.0	-52.13	360.22	7.92	-44.21
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018120330	0	40	0.0	-31.77	340.37	8.41	-23.36
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120331	0	53	0.0	-37.95	404.67	11.37	-26.58
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018120332	0	44	0.0	-37.71	343.96	6.77	-30.94
CCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OCC	REAL300018120333	0	54	0.0	-39.23	408.17	8.25	-30.98
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018120334	0	43	0.0	-37.48	356.59	8.60	-28.88
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018120335	0	40	0.0	-25.61	330.04	8.10	-17.51
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018120336	0	43	0.0	-46.24	348.21	6.40	-39.84
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018120337	0	44	0.0	-35.62	350.70	6.98	-28.64
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120338	0	46	0.0	-45.26	366.41	4.74	-40.52
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120339	0	54	0.0	-39.56	413.92	10.28	-29.28
CC(CCOCC1=CC=CC=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120340	0	53	0.0	-37.75	396.58	8.62	-29.13
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018120341	0	47	0.0	-35.16	369.02	9.73	-25.43
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018120342	0	50	0.0	-32.87	397.84	11.34	-21.53
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018120343	0	50	0.0	-37.75	395.64	11.11	-26.64
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018120344	0	50	0.0	-30.88	406.20	10.30	-20.58
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120345	0	46	0.0	-45.91	355.03	7.64	-38.27
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018120346	0	45	0.0	-38.04	340.59	7.03	-31.01
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018120347	0	51	0.0	-41.34	382.53	7.20	-34.14
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120348	0	48	0.0	-45.27	379.29	3.94	-41.33
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018120349	0	44	0.0	-36.39	335.81	7.21	-29.18
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018120350	0	44	0.0	-39.05	337.08	7.24	-31.81
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018120351	0	43	0.0	-40.14	347.79	6.54	-33.60
CC1(C)CCC2=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CC=C2O1	REAL300018120352	0	54	0.0	-36.13	395.32	9.01	-27.12
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120353	0	55	0.0	-36.57	378.77	10.05	-26.52
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018120354	0	49	0.0	-37.56	373.92	8.83	-28.73
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018120355	0	49	0.0	-35.50	377.65	9.10	-26.40
CN1CCN(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=C2)CC1	REAL300018120356	1	57	0.0	-31.98	417.45	6.15	-25.83
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018120357	0	49	0.0	-36.21	389.56	5.94	-30.27
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018120358	0	50	0.0	-37.12	367.24	5.24	-31.88
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018120359	0	55	0.0	-37.64	414.38	8.28	-29.36
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018120360	0	54	0.0	-39.38	395.16	5.82	-33.56
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018120361	0	47	0.0	-38.34	369.94	8.47	-29.87
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018120362	0	47	0.0	-40.27	384.17	9.03	-31.24
CC(C)(C)N1C=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=N1	REAL300018120363	0	49	0.0	-37.80	371.37	7.11	-30.69
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300018120364	0	59	0.0	-33.91	455.03	10.60	-23.31
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018120365	0	47	0.0	-39.18	376.65	7.90	-31.28
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018120367	0	47	0.0	-29.84	391.48	10.69	-19.15
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300018120368	0	51	0.0	-41.51	405.89	7.79	-33.72
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018120369	0	50	0.0	-35.45	377.25	7.32	-28.13
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018120370	0	53	0.0	-36.08	413.05	8.92	-27.16
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018120371	0	53	0.0	-37.57	408.73	8.78	-28.79
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300018120373	0	50	0.0	-42.82	408.12	9.46	-33.36
COCCOC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120374	0	51	0.0	-36.26	389.68	6.69	-29.57
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1Cl	REAL300018120375	0	44	0.0	-38.79	354.13	7.15	-31.64
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC(Br)=CC=C2OC1	REAL300018120376	0	46	0.0	-39.34	375.94	8.41	-30.93
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018120377	0	46	0.0	-39.79	384.61	8.77	-31.02
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018120378	0	45	0.0	-45.92	364.96	6.11	-39.81
COC1=NC=C(Br)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120379	0	43	0.0	-38.91	355.68	4.67	-34.24
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018120380	0	39	0.0	-33.71	324.91	6.06	-27.65
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018120381	0	49	0.0	-32.65	381.91	4.76	-27.89
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018120382	0	45	0.0	-32.54	344.33	7.70	-24.84
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018120383	0	47	0.0	-37.43	376.65	7.90	-29.53
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018120384	0	46	0.0	-32.84	349.83	6.61	-26.23
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018120385	0	49	0.0	-35.61	366.72	7.42	-28.19
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018120386	0	47	0.0	-40.71	364.45	9.41	-31.30
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018120387	0	47	0.0	-32.58	358.79	9.67	-22.91
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018120388	0	48	0.0	-42.85	377.76	8.58	-34.27
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018120389	0	51	0.0	-42.90	386.76	5.67	-37.23
CCCOC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120390	0	50	0.0	-36.54	381.47	8.32	-28.22
C#CCCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120391	0	49	0.0	-39.94	387.24	8.85	-31.09
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018120392	0	47	0.0	-31.85	372.95	9.99	-21.86
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018120393	0	47	0.0	-43.15	385.31	10.08	-33.07
CC1=C2C=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=NC2=NN1	REAL300018120394	0	45	0.0	-52.10	351.67	5.82	-46.28
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018120395	0	54	0.0	-36.37	403.42	9.53	-26.84
CN(C)C1=NC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])S1	REAL300018120396	0	44	0.0	-32.02	349.84	6.36	-25.66
CC(C)OC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120397	0	50	0.0	-34.28	374.54	8.08	-26.20
CC1=CC=C(C2=NC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CS2)C=C1	REAL300018120398	1	49	0.0	-40.05	390.95	8.65	-31.40
CC(C)C1=NC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CS1	REAL300018120399	1	45	0.0	-38.71	352.47	6.23	-32.48
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300018120400	1	43	0.0	-26.84	343.35	6.63	-20.21
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018120401	0	54	0.0	-38.84	423.60	10.74	-28.10
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300018120402	0	50	0.0	-41.85	401.13	7.50	-34.35
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120403	0	49	0.0	-34.00	364.97	9.72	-24.28
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120404	0	52	0.0	-41.57	401.29	10.33	-31.24
CC1=CC=C(CCC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120405	0	52	0.0	-37.96	383.96	10.01	-27.95
CC(C1=CC=CC=C1)N1CCC([NH2+]C(CC2CCCOC2)C(=O)[O-])C1	REAL300018120406	0	55	0.0	-40.48	403.55	8.05	-32.43
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CS2)C=C1	REAL300018120407	0	53	0.0	-44.24	426.45	8.27	-35.97
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120408	0	63	0.0	-40.33	466.15	11.59	-28.74
CC(C)(C)C1=NC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CS1	REAL300018120409	1	48	0.0	-38.45	371.40	6.74	-31.71
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018120410	0	43	0.0	-42.11	364.49	7.02	-35.09
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018120411	0	47	0.0	-30.38	381.16	10.25	-20.13
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018120412	0	52	0.0	-31.99	391.64	8.10	-23.89
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018120413	0	44	0.0	-45.49	344.65	5.70	-39.79
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018120414	0	43	0.0	-44.53	352.31	8.30	-36.23
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])S1	REAL300018120415	0	48	0.0	-37.63	375.46	7.07	-30.56
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])S2)C=C1	REAL300018120416	0	50	0.0	-29.49	396.15	10.86	-18.63
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120417	0	44	0.0	-30.60	370.54	7.90	-22.70
C#CCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120418	0	46	0.0	-40.53	365.74	8.07	-32.46
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120419	0	52	0.0	-43.36	392.05	10.38	-32.98
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018120420	0	51	0.0	-32.64	409.74	10.44	-22.20
CCOC1=C(OC)C=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OC	REAL300018120421	0	55	0.0	-35.49	420.66	7.46	-28.03
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018120422	0	54	0.0	-39.18	392.64	5.99	-33.19
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1SC	REAL300018120423	0	48	0.0	-39.21	374.63	7.55	-31.66
CCC(C)OC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1OC	REAL300018120424	0	57	0.0	-39.36	426.58	8.82	-30.54
C=C(C)COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1OC	REAL300018120425	0	55	0.0	-41.48	421.52	8.77	-32.71
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OCCC(C)C	REAL300018120426	0	60	0.0	-41.64	449.78	9.51	-32.13
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018120427	0	61	0.0	-35.21	424.55	3.22	-31.99
CCOCC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1OC	REAL300018120428	0	54	0.0	-41.67	412.20	7.50	-34.17
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018120429	0	47	0.0	-41.07	368.02	7.21	-33.86
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018120430	1	46	0.0	-41.66	368.92	8.00	-33.66
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120431	0	52	0.0	-40.19	401.29	10.34	-29.85
C=CCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1Cl	REAL300018120432	0	48	0.0	-37.15	386.01	8.57	-28.58
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018120433	0	46	0.0	-38.44	373.65	8.32	-30.12
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018120434	0	52	0.0	-27.62	394.65	7.31	-20.31
CN1N=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C2=CC=CC=C21	REAL300018120435	0	46	0.0	-35.29	358.56	7.22	-28.07
CN(C)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1F	REAL300018120436	0	48	0.0	-36.55	365.77	6.74	-29.81
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018120437	0	43	0.0	-45.22	341.90	6.68	-38.54
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120439	0	55	0.0	-32.86	415.93	11.35	-21.51
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300018120440	0	49	0.0	-43.95	399.51	6.75	-37.20
CC1(C)CC2=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CC=C2O1	REAL300018120441	0	51	0.0	-33.68	385.64	8.69	-24.99
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018120442	0	43	0.0	-33.58	365.09	7.12	-26.46
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018120443	0	47	0.0	-39.57	376.84	7.59	-31.98
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300018120444	0	40	0.0	-25.32	340.04	8.49	-16.83
CC(CSC(C)(C)C)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120445	0	49	0.0	-39.15	364.32	8.05	-31.10
CN(C)C1=NC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])N1C	REAL300018120446	0	48	0.0	-34.45	360.67	6.83	-27.62
CC(C)COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120447	0	53	0.0	-37.01	398.68	8.94	-28.07
COCCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120448	0	51	0.0	-40.70	393.58	6.79	-33.91
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120449	0	49	0.0	-25.41	363.62	9.52	-15.89
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018120450	0	44	0.0	-41.01	363.89	7.42	-33.59
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300018120451	0	48	0.0	-44.50	401.66	8.75	-35.75
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018120452	0	47	0.0	-35.67	350.21	9.10	-26.57
CC1=CC=CC=C1CC(C)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120453	0	49	0.0	-32.64	342.60	8.37	-24.27
CC1=CC=CC(CC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120454	0	49	0.0	-27.94	360.04	9.56	-18.38
COC1=CC2=C(C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-])OCO2	REAL300018120455	0	47	0.0	-40.10	362.78	5.30	-34.80
COC1=CC(Cl)=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OC	REAL300018120456	0	48	0.0	-27.59	377.43	7.08	-20.51
CC(C)COC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120457	0	53	0.0	-34.09	397.66	8.91	-25.18
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300018120458	0	60	0.0	-34.45	446.93	6.27	-28.18
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018120459	0	46	0.0	-38.68	351.82	9.38	-29.30
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OC	REAL300018120460	0	52	0.0	-37.82	418.16	8.55	-29.27
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300018120461	0	54	0.0	-40.32	417.93	8.19	-32.13
CC1(C)CC2=CC=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=C2O1	REAL300018120462	0	51	0.0	-38.94	383.07	8.44	-30.50
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018120463	1	46	0.0	-32.91	356.75	7.18	-25.73
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=NC=C1Br	REAL300018120464	0	39	0.0	-32.13	319.48	6.10	-26.03
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018120465	0	40	0.0	-39.63	336.31	7.98	-31.65
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120466	0	46	0.0	-39.46	363.71	9.23	-30.23
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018120467	0	47	0.0	-39.50	365.26	8.60	-30.90
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018120468	0	45	0.0	-35.20	347.91	7.88	-27.32
CC1=C(Br)SC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120469	0	40	0.0	-29.29	339.72	7.88	-21.41
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018120470	0	43	0.0	-42.30	357.78	8.43	-33.87
CS(=O)(=O)N1CCC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC1	REAL300018120471	0	48	0.0	-51.18	359.34	3.03	-48.15
COC1=CC(F)=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120472	0	44	0.0	-39.93	344.53	6.66	-33.27
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=N1	REAL300018120473	0	50	0.0	-39.53	377.34	7.17	-32.36
COC1=CC=CC=C1N1CCC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC1	REAL300018120474	0	56	0.0	-33.62	403.99	7.31	-26.31
CC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(Cl)=C1	REAL300018120475	0	43	0.0	-25.08	341.02	8.51	-16.57
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018120476	0	42	0.0	-46.98	345.37	8.23	-38.75
O=C([O-])C(CC1CCCOC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018120477	0	43	0.0	-35.13	345.15	8.69	-26.44
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300018120478	0	60	0.0	-38.22	462.87	12.12	-26.10
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300018120479	0	53	0.0	-40.02	407.48	8.86	-31.16
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120480	0	46	0.0	-39.24	367.21	9.30	-29.94
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])S2)C=C1	REAL300018120481	0	49	0.0	-31.79	394.65	9.15	-22.64
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018120482	0	45	0.0	-32.31	364.69	8.49	-23.82
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018120483	0	45	0.0	-36.39	362.35	8.23	-28.16
CS(=O)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120484	0	45	0.0	-43.35	357.93	5.81	-37.54
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018120485	0	47	0.0	-37.62	383.36	9.35	-28.27
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])O1	REAL300018120486	0	50	0.0	-42.21	395.80	9.93	-32.28
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])O2)C=C1	REAL300018120487	0	53	0.0	-42.09	411.74	10.62	-31.47
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018120488	0	50	0.0	-35.05	367.39	9.68	-25.37
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018120489	0	59	0.0	-35.39	398.42	10.47	-24.92
CC1=CC=C(C(C)C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120490	0	49	0.0	-34.22	365.65	9.44	-24.78
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1C(C)(C)C	REAL300018120491	0	56	0.0	-37.98	409.28	9.28	-28.70
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120492	0	53	0.0	-34.83	386.39	8.36	-26.47
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120493	0	45	0.0	-46.78	362.78	2.26	-44.52
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018120494	0	47	0.0	-37.91	354.10	9.26	-28.65
CCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C)=C1	REAL300018120495	0	50	0.0	-30.74	371.03	8.19	-22.55
COC1=CC(C)=CC=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120496	0	47	0.0	-31.54	357.78	7.48	-24.06
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120497	0	42	0.0	-30.22	348.51	6.51	-23.71
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018120498	0	50	0.0	-36.04	373.89	9.88	-26.16
COCC1=CSC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120499	0	44	0.0	-31.91	352.43	6.24	-25.67
CCCC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])S1	REAL300018120500	0	46	0.0	-35.81	359.79	8.65	-27.16
CC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018120501	0	45	0.0	-39.06	342.00	8.37	-30.69
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1Br	REAL300018120502	0	43	0.0	-39.01	348.11	8.48	-30.53
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1Cl	REAL300018120503	0	44	0.0	-40.80	354.13	7.15	-33.65
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018120504	0	43	0.0	-41.77	335.96	7.62	-34.15
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018120505	0	47	0.0	-41.77	363.59	8.31	-33.46
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018120506	0	39	0.0	-34.47	332.98	5.81	-28.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018120507	0	47	0.0	-41.24	353.21	6.62	-34.62
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018120508	0	44	0.0	-33.77	332.61	8.37	-25.40
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018120509	0	45	0.0	-30.44	347.66	4.80	-25.64
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018120510	0	43	0.0	-33.00	351.79	8.38	-24.62
CC1=CC=CN2C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CN=C12	REAL300018120511	0	46	0.0	-35.70	356.52	8.47	-27.23
CN1C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CN=C1Cl	REAL300018120512	0	40	0.0	-31.55	323.24	6.27	-25.28
CN1C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CN=C1Br	REAL300018120513	0	40	0.0	-32.01	328.85	6.35	-25.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018120514	0	46	0.0	-50.05	367.93	7.18	-42.87
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018120515	0	40	0.0	-36.29	329.49	4.80	-31.49
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018120516	0	44	0.0	-32.08	345.29	7.42	-24.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018120517	0	44	0.0	-33.68	346.52	7.46	-26.22
CCOC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=N1	REAL300018120518	0	46	0.0	-32.69	354.79	4.82	-27.87
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120519	0	43	0.0	-31.31	335.83	8.40	-22.91
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018120520	0	42	0.0	-31.93	340.35	7.19	-24.74
CC1=CC=CC2=NC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])N21	REAL300018120521	0	46	0.0	-34.72	345.69	8.25	-26.47
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120522	0	52	0.0	-35.47	387.43	8.06	-27.41
CC1=CC(Cl)=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120523	0	43	0.0	-37.66	342.83	8.36	-29.30
COCC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120524	0	47	0.0	-39.61	363.66	7.03	-32.58
COCC(CC(C)(C)C)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120525	0	52	0.0	-32.98	362.46	6.20	-26.78
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018120526	0	45	0.0	-42.52	356.02	7.73	-34.79
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC2=CC=CN=C12	REAL300018120527	0	48	0.0	-34.19	369.47	8.63	-25.56
CCCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1C	REAL300018120528	0	53	0.0	-36.03	397.62	8.96	-27.07
COC1=C(C)C=NC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1C	REAL300018120529	0	49	0.0	-31.20	365.08	5.92	-25.28
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120530	0	50	0.0	-32.52	380.74	9.04	-23.48
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])S1	REAL300018120531	0	43	0.0	-36.44	360.00	4.09	-32.35
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018120532	0	42	0.0	-28.75	350.81	6.94	-21.81
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])O2)C=C1	REAL300018120533	0	59	0.0	-41.83	444.97	11.50	-30.33
CC1CC([NH2+]C(CC2CCCOC2)C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300018120534	0	58	0.0	-37.31	406.92	7.85	-29.46
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018120535	0	43	0.0	-39.55	342.77	8.23	-31.32
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018120536	0	42	0.0	-44.87	344.11	5.16	-39.71
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018120537	0	47	0.0	-36.41	351.48	9.18	-27.23
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC(Cl)=CS1	REAL300018120538	0	36	0.0	-34.09	310.37	4.86	-29.23
COC1=NSC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120539	0	40	0.0	-39.31	325.93	3.21	-36.10
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018120540	0	43	0.0	-32.30	355.03	8.45	-23.85
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018120541	0	45	0.0	-30.68	339.08	7.39	-23.29
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120542	0	58	0.0	-32.81	441.74	12.17	-20.64
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1F	REAL300018120543	0	54	0.0	-36.84	406.50	8.38	-28.46
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C(SC)C=C1OC	REAL300018120544	0	52	0.0	-32.60	401.05	7.55	-25.05
CN(C)C1=CC=C(N2CCC([NH2+]C(CC3CCCOC3)C(=O)[O-])CC2)C=C1	REAL300018120545	0	60	0.0	-39.51	425.56	7.91	-31.60
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120546	0	51	0.0	-34.19	378.86	9.89	-24.30
CC1CC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018120547	0	56	0.0	-27.66	383.16	11.36	-16.30
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018120548	0	42	0.0	-33.75	346.30	6.96	-26.79
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300018120549	0	50	0.0	-38.29	379.17	8.80	-29.49
CCOC1=CN=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120550	0	46	0.0	-37.32	350.98	5.59	-31.73
CCOC1=CC(F)=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120551	0	47	0.0	-38.09	363.49	7.51	-30.58
COC1=CC=C(C(C)C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120552	0	50	0.0	-36.16	373.72	8.03	-28.13
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120553	0	47	0.0	-40.55	360.94	6.95	-33.60
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018120554	0	56	0.0	-30.23	370.08	9.53	-20.70
CC([NH2+]C(CC1CCCOC1)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018120555	0	49	0.0	-31.59	344.96	9.04	-22.55
COC1=CC=CC2=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=CC=C12	REAL300018120556	0	50	0.0	-32.24	374.17	8.85	-23.39
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018120557	0	47	0.0	-30.44	362.15	7.46	-22.98
CC(CCC1=CC=CN=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120558	0	48	0.0	-41.28	357.39	7.55	-33.73
CC(C)C1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120559	0	49	0.0	-37.02	368.82	9.22	-27.80
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])O1	REAL300018120560	0	42	0.0	-40.90	343.13	0.36	-40.54
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018120561	0	51	0.0	-35.61	386.53	10.45	-25.16
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018120562	0	54	0.0	-33.57	366.25	6.93	-26.64
COC1=CN=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1C	REAL300018120563	0	46	0.0	-31.68	343.61	5.52	-26.16
O=C([O-])C(CC1CCCOC1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018120564	0	43	0.0	-46.48	350.27	8.55	-37.93
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018120565	0	42	0.0	-36.67	328.38	6.02	-30.65
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018120566	0	40	0.0	-30.41	337.77	7.71	-22.70
CC1=C2C=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])NC2=CC=C1	REAL300018120567	0	47	0.0	-33.01	361.07	8.03	-24.98
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018120568	0	40	0.0	-38.29	339.23	7.44	-30.85
CCCOC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C)=C1	REAL300018120569	0	53	0.0	-29.62	394.53	9.05	-20.57
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OC1CC1	REAL300018120570	0	52	0.0	-41.75	398.38	8.16	-33.59
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018120571	0	53	0.0	-32.04	364.09	8.96	-23.08
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018120572	0	42	0.0	-42.24	338.03	6.37	-35.87
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018120573	0	50	0.0	-37.90	359.32	9.24	-28.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC=C(Br)S1	REAL300018120574	0	36	0.0	-32.05	311.18	5.06	-26.99
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018120575	0	50	0.0	-35.76	358.56	9.42	-26.34
CC([NH2+]C(CC1CCCOC1)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018120576	0	52	0.0	-33.76	393.90	9.62	-24.14
CCC1(CC)CCC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC1	REAL300018120577	0	55	0.0	-37.27	366.88	8.47	-28.80
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018120578	0	48	0.0	-34.86	351.46	7.15	-27.71
O=C([O-])C(CC1CCCOC1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018120579	0	47	0.0	-36.03	363.81	9.62	-26.41
CC(CC1=COC2=CC=CC=C12)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120580	0	49	0.0	-29.30	364.42	9.03	-20.27
NS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120581	0	45	0.0	-43.13	362.78	2.25	-40.88
CC1=CC=C2C=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])NC2=C1	REAL300018120582	0	47	0.0	-32.30	361.48	8.05	-24.25
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018120583	0	39	0.0	-35.53	333.96	5.61	-29.92
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018120584	0	56	0.0	-33.98	395.42	10.73	-23.25
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018120585	0	42	0.0	-48.55	331.26	4.77	-43.78
CC1=CC(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300018120586	0	56	0.0	-32.39	423.92	12.14	-20.25
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018120587	0	49	0.0	-40.51	373.58	10.63	-29.88
CC(C)(C)C1CCCC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC1	REAL300018120588	0	58	0.0	-40.88	387.93	9.13	-31.75
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018120589	0	43	0.0	-40.55	338.99	7.78	-32.77
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018120590	0	47	0.0	-42.28	372.97	7.84	-34.44
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018120591	0	47	0.0	-33.79	370.86	5.71	-28.08
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(Br)=C1	REAL300018120592	0	44	0.0	-25.52	352.67	7.23	-18.29
COCC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120593	0	47	0.0	-38.57	363.66	7.02	-31.55
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120594	0	50	0.0	-35.15	403.38	9.76	-25.39
CN(C)CC1=NC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CS1	REAL300018120595	0	47	0.0	-41.81	369.82	3.78	-38.03
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018120596	0	51	0.0	-38.88	406.31	11.31	-27.57
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120597	0	57	0.0	-45.38	417.25	8.35	-37.03
COC1=CC(C)=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OC	REAL300018120598	0	51	0.0	-31.65	378.04	7.06	-24.59
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018120599	0	47	0.0	-32.89	347.73	9.19	-23.70
CC1=C(Br)C=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])S1	REAL300018120600	0	40	0.0	-29.89	339.49	7.90	-21.99
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300018120601	0	58	0.0	-40.97	442.64	9.91	-31.06
COC1=CC=C(N2C=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=N2)C=C1	REAL300018120602	0	51	0.0	-38.90	393.02	7.69	-31.21
CC(CCC1=CSC=C1)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120603	0	46	0.0	-37.95	352.54	8.27	-29.68
COCCC1=CC=C(OCC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120604	0	57	0.0	-35.79	430.18	8.03	-27.76
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120605	0	50	0.0	-33.96	398.82	9.92	-24.04
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120606	0	55	0.0	-30.84	428.80	10.82	-20.02
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018120607	0	53	0.0	-37.45	392.01	10.76	-26.69
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018120608	0	46	0.0	-34.25	364.41	5.68	-28.57
CN1N=CC2=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CN=C21	REAL300018120609	0	45	0.0	-41.33	349.00	6.32	-35.01
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120610	0	44	0.0	-30.86	363.76	8.96	-21.90
CN1CCN(C2=NC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=N2)CC1	REAL300018120611	0	55	0.0	-35.59	411.60	5.73	-29.86
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018120612	0	51	0.0	-34.98	396.85	10.90	-24.08
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018120613	0	53	0.0	-26.43	402.80	9.01	-17.42
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120614	0	49	0.0	-47.99	393.98	8.63	-39.36
CC1CCC2=C(C1)SC(C[NH2+]C(CC1CCCOC1)C(=O)[O-])=N2	REAL300018120615	1	49	0.0	-33.41	377.93	7.65	-25.76
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2COCCC2C1	REAL300018120616	0	51	0.0	-30.50	344.47	7.02	-23.48
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018120617	0	48	0.0	-32.74	348.55	7.83	-24.91
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018120618	0	47	0.0	-44.05	352.38	8.48	-35.57
CN1C=NC2=CC=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=C21	REAL300018120619	0	46	0.0	-32.86	343.45	8.55	-24.31
COC1=CC=C(C)C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120620	0	47	0.0	-28.93	349.19	7.26	-21.67
CC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C)=C1C	REAL300018120623	0	49	0.0	-28.68	354.44	9.07	-19.61
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018120624	0	50	0.0	-36.20	364.68	7.70	-28.50
COC1=CC=C2SC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CC2=C1	REAL300018120625	0	47	0.0	-31.49	375.16	8.27	-23.22
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018120626	1	46	0.0	-43.77	359.66	8.35	-35.42
CCN1CCC2=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=CC=C21	REAL300018120627	0	52	0.0	-38.31	381.05	7.43	-30.88
CC1(C)CC2(CO1)CCC([NH2+]C(CC1CCCOC1)C(=O)[O-])CC2	REAL300018120628	0	57	0.0	-35.27	395.21	7.73	-27.54
CSC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1Cl	REAL300018120629	0	44	0.0	-36.99	360.94	8.68	-28.31
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1C1CC1	REAL300018120630	0	50	0.0	-37.63	375.63	9.91	-27.72
COC1=CC=CC2=C1CCCC([NH2+]C(CC1CCCOC1)C(=O)[O-])C2	REAL300018120631	0	54	0.0	-37.32	386.51	8.81	-28.51
CCOC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=N1	REAL300018120632	0	46	0.0	-36.39	353.64	4.83	-31.56
CC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1C1CC1	REAL300018120633	0	50	0.0	-37.72	375.04	9.92	-27.80
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C(C)=C2)C=C1	REAL300018120634	0	53	0.0	-33.71	403.32	9.83	-23.88
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018120635	0	46	0.0	-39.14	376.92	9.09	-30.05
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120636	0	50	0.0	-34.71	393.56	9.58	-25.13
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=C2)C=C1Cl	REAL300018120637	0	50	0.0	-38.01	405.14	9.73	-28.28
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018120638	1	50	0.0	-40.01	376.98	3.64	-36.37
CC1OC2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=C2C1C	REAL300018120639	0	51	0.0	-37.48	378.09	8.29	-29.19
CC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OC(F)F	REAL300018120640	0	47	0.0	-42.77	367.94	7.62	-35.15
CC(C)C1=CC=C(O)C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120641	0	50	0.0	-32.48	374.80	6.71	-25.77
CC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])NN=C1C(F)(F)F	REAL300018120642	0	43	0.0	-33.79	344.30	5.26	-28.53
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018120643	1	43	0.0	-39.58	341.61	6.46	-33.12
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018120644	0	46	0.0	-30.23	356.44	6.30	-23.93
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018120645	0	45	0.0	-36.29	341.57	7.06	-29.23
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018120646	0	47	0.0	-28.01	349.86	6.47	-21.54
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018120647	0	48	0.0	-37.52	358.39	7.29	-30.23
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018120648	0	48	0.0	-42.92	372.89	7.14	-35.78
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018120649	0	54	0.0	-34.30	408.49	9.29	-25.01
CSC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120650	0	44	0.0	-34.18	344.92	8.20	-25.98
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018120651	0	47	0.0	-34.62	360.01	9.40	-25.22
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018120652	0	47	0.0	-32.44	362.79	9.76	-22.68
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018120653	0	47	0.0	-34.92	373.82	9.54	-25.38
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018120654	0	48	0.0	-39.01	366.27	8.18	-30.83
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018120655	0	44	0.0	-27.63	357.39	7.23	-20.40
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018120656	0	46	0.0	-36.20	376.92	9.09	-27.11
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C)=C1	REAL300018120657	0	53	0.0	-35.11	399.16	10.33	-24.78
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=C2)C=N1	REAL300018120658	0	53	0.0	-37.49	404.63	11.01	-26.48
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018120659	0	54	0.0	-35.44	399.67	11.22	-24.22
CC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300018120661	0	46	0.0	-35.86	363.09	8.51	-27.35
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120662	0	46	0.0	-27.68	357.34	9.44	-18.24
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120663	0	50	0.0	-34.58	387.01	8.56	-26.02
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120664	0	51	0.0	-37.99	376.10	7.69	-30.30
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300018120665	0	43	0.0	-30.62	364.72	9.51	-21.11
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018120666	0	43	0.0	-38.90	350.90	6.36	-32.54
CN1C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=NC2=C1CCCC2	REAL300018120667	0	50	0.0	-44.62	371.34	7.96	-36.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018120668	0	45	0.0	-28.93	349.38	7.87	-21.06
COC1=NC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1C	REAL300018120669	0	46	0.0	-42.91	355.92	4.68	-38.23
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018120670	0	43	0.0	-37.48	344.05	8.31	-29.17
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018120671	0	48	0.0	-32.26	354.36	7.43	-24.83
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120672	0	47	0.0	-27.97	373.63	8.20	-19.77
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018120673	0	47	0.0	-29.15	352.51	8.27	-20.88
CCC(C)N1N=CC=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120674	0	49	0.0	-29.86	366.31	7.11	-22.75
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018120675	0	53	0.0	-39.06	389.34	8.24	-30.82
COC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300018120676	0	56	0.0	-28.46	401.30	9.18	-19.28
CN1C=C(Br)N=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120677	0	40	0.0	-46.81	329.97	6.15	-40.66
COC1=CC(C)=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=N1	REAL300018120678	0	46	0.0	-31.30	347.38	4.67	-26.63
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018120679	1	42	0.0	-34.25	339.89	6.89	-27.36
COC1=CC=CC(C2CC([NH2+]C(CC3CCCOC3)C(=O)[O-])C2)=C1	REAL300018120680	0	51	0.0	-40.07	373.91	8.09	-31.98
CC1=NOC(C2CC([NH2+]C(CC3CCCOC3)C(=O)[O-])C2)=N1	REAL300018120681	0	45	0.0	-42.43	347.94	4.77	-37.66
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(C2CCOCC2)C1	REAL300018120682	0	51	0.0	-33.84	362.79	6.92	-26.92
O=C([O-])C(CC1CCCOC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018120683	0	47	0.0	-41.99	362.83	7.17	-34.82
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018120684	0	53	0.0	-37.50	399.72	10.82	-26.68
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120685	0	50	0.0	-41.71	404.79	8.07	-33.64
COC1=CC=C(CC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C)=C1	REAL300018120686	0	53	0.0	-36.29	372.13	7.67	-28.62
CCC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=NN1CC	REAL300018120687	0	49	0.0	-32.21	366.50	7.32	-24.89
CC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300018120688	0	43	0.0	-41.21	344.56	6.99	-34.22
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120689	0	46	0.0	-35.76	358.93	8.74	-27.02
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018120690	0	46	0.0	-37.42	367.63	7.97	-29.45
COC1=CC=C(CCC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])C(C)=C1	REAL300018120691	0	56	0.0	-35.62	405.16	9.22	-26.40
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC2CCCCCC2C1	REAL300018120692	0	53	0.0	-31.00	361.80	9.07	-21.93
CC1CCC([NH2+]C(CC2CCCOC2)C(=O)[O-])CC2=CC=CC=C21	REAL300018120693	0	53	0.0	-35.23	368.17	9.66	-25.57
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018120694	0	47	0.0	-37.68	371.29	9.64	-28.04
CCOC1=CC(CCC(C)[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1O	REAL300018120695	0	57	0.0	-43.64	427.53	7.46	-36.18
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018120696	0	46	0.0	-31.53	360.49	9.93	-21.60
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300018120697	0	51	0.0	-40.83	414.10	10.66	-30.17
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3CCCOC3)C(=O)[O-])C=C2)=C1	REAL300018120698	0	55	0.0	-43.56	426.88	9.45	-34.11
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120699	0	55	0.0	-44.19	426.76	10.04	-34.15
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300018120700	0	44	0.0	-38.47	365.01	8.75	-29.72
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018120701	0	48	0.0	-37.07	358.41	7.27	-29.80
CC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300018120702	0	46	0.0	-28.03	366.80	9.48	-18.55
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018120703	0	46	0.0	-36.35	362.84	5.61	-30.74
COC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1OCCO	REAL300018120704	0	52	0.0	-42.96	396.68	4.22	-38.74
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018120705	0	45	0.0	-42.08	349.61	7.76	-34.32
COC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300018120706	0	59	0.0	-43.83	443.40	7.84	-35.99
CC1=CC2=CC=CC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=C2O1	REAL300018120707	0	46	0.0	-35.13	357.45	8.59	-26.54
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018120708	0	43	0.0	-29.09	352.52	8.47	-20.62
CC(C)OC1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1F	REAL300018120709	0	50	0.0	-38.04	382.80	8.22	-29.82
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1	REAL300018120710	0	53	0.0	-39.68	396.71	8.37	-31.31
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=NN1CC(F)F	REAL300018120711	0	43	0.0	-41.76	340.61	6.03	-35.73
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018120713	0	47	0.0	-40.63	370.96	8.49	-32.14
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018120714	0	47	0.0	-41.39	356.84	6.97	-34.42
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018120715	0	43	0.0	-46.25	344.86	6.18	-40.07
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018120716	0	44	0.0	-43.53	350.59	6.63	-36.90
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300018120717	0	45	0.0	-31.32	367.94	8.54	-22.78
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018120718	0	50	0.0	-34.06	374.41	7.64	-26.42
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018120719	0	43	0.0	-43.60	342.39	7.68	-35.92
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018120720	0	43	0.0	-29.10	350.98	8.24	-20.86
COC1=CC=CC(CN2CCC([NH2+]C(CC3CCCOC3)C(=O)[O-])CC2)=C1	REAL300018120721	0	59	0.0	-39.69	429.23	6.97	-32.72
COC1=CC=C2SC(C[NH2+]C(CC3CCCOC3)C(=O)[O-])=NC2=C1	REAL300018120722	1	46	0.0	-36.83	369.41	6.17	-30.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CN=C2C=C(Br)C=CN12	REAL300018120723	0	43	0.0	-35.70	356.38	8.49	-27.21
CN1N=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1C1=CC=CO1	REAL300018120724	0	47	0.0	-36.44	370.25	6.61	-29.83
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018120725	0	56	0.0	-35.72	407.57	11.02	-24.70
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120726	0	50	0.0	-30.59	374.67	7.78	-22.81
COC1=CC=CC=C1C=CC[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120727	0	48	0.0	-36.81	364.11	7.84	-28.97
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018120728	0	48	0.0	-40.32	373.89	7.53	-32.79
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120729	0	47	0.0	-32.74	370.21	6.65	-26.09
CC(C)(C)N1CCCC([NH2+]C(CC2CCCOC2)C(=O)[O-])C1	REAL300018120730	0	54	0.0	-30.16	366.17	6.06	-24.10
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018120731	0	53	0.0	-39.31	411.40	11.76	-27.55
O=C([O-])C(CC1CCCOC1)[NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018120732	0	51	0.0	-34.30	396.15	8.92	-25.38
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018120733	0	49	0.0	-33.88	375.36	8.83	-25.05
CC1=CC=C(C2CCC([NH2+]C(CC3CCCOC3)C(=O)[O-])CC2)C=C1	REAL300018120734	0	56	0.0	-41.99	406.01	10.78	-31.21
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018120735	0	44	0.0	-39.92	370.63	7.64	-32.28
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300018120736	0	50	0.0	-39.61	394.29	10.04	-29.57
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018120737	0	43	0.0	-38.25	342.64	8.59	-29.66
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018120738	0	49	0.0	-40.52	375.13	8.88	-31.64
CC1=CC=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1C(F)(F)F	REAL300018120739	0	46	0.0	-34.76	353.08	9.06	-25.70
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018120740	0	43	0.0	-39.19	331.97	5.93	-33.26
CCC(C)C1=CC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=C1	REAL300018120741	0	52	0.0	-30.61	386.89	10.04	-20.57
O=C([O-])C(CC1CCCOC1)[NH2+]C1CCC2(C1)CCOCC2	REAL300018120742	0	51	0.0	-34.00	344.34	6.01	-27.99
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120743	0	53	0.0	-27.19	405.32	9.89	-17.30
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018120744	0	50	0.0	-35.17	363.15	9.65	-25.52
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120745	0	47	0.0	-41.57	368.41	9.17	-32.40
COC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=CC(Br)=C1F	REAL300018120746	0	44	0.0	-28.77	364.54	7.51	-21.26
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018120747	0	46	0.0	-43.25	360.59	7.36	-35.89
CC1=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300018120748	0	49	0.0	-30.40	363.88	10.14	-20.26
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120749	0	58	0.0	-30.03	433.42	9.09	-20.94
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COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120751	0	48	0.0	-39.60	369.51	6.72	-32.88
O=C([O-])C(CC1CCCOC1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018120752	0	53	0.0	-32.27	394.51	4.41	-27.86
CCCN1N=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=C1C	REAL300018120753	0	49	0.0	-30.75	372.90	7.31	-23.44
CC1=CC(C[NH2+]C(CC2CCCOC2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300018120754	0	49	0.0	-41.56	376.83	8.53	-33.03
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CCCN1N=C(C)C=C1C[NH2+]C(CC1CCCOC1)C(=O)[O-]	REAL300018120756	0	49	0.0	-32.42	374.18	7.26	-25.16
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCCOC2)C(=O)[O-])O1	REAL300018120757	1	48	0.0	-30.66	367.42	4.93	-25.73
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC(Cl)=CC4=C3OCC4)CC2)S1	REAL300018120758	1	44	0.0	-72.58	377.69	10.03	-62.55
CC(CC1=CC=CC=C1)C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120759	0	48	0.0	-75.01	381.82	11.82	-63.19
CN1C=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(C2CCCCC2)=N1	REAL300018120760	0	55	0.0	-79.09	432.86	11.29	-67.80
CCC1CCCC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300018120762	0	51	0.0	-72.23	377.97	11.09	-61.14
CC1CCCCC1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120763	0	48	0.0	-72.39	356.27	10.33	-62.06
O=C([O-])C1=CN=C(C2CC[NH+](CC=CC3=CC=C(F)C=C3F)CC2)S1	REAL300018120765	0	43	0.0	-79.27	370.11	11.25	-68.02
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CC(C)C1=CC=C(CC[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1	REAL300018120768	0	51	0.0	-74.21	407.13	12.50	-61.71
CC1=CN2C=C(C[NH+]3CCC(C4=NC=C(C(=O)[O-])S4)CC3)N=C2C=C1	REAL300018120769	1	45	0.0	-75.22	373.36	10.75	-64.47
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C4OC=CC4=C3)CC2)S1	REAL300018120771	0	42	0.0	-79.52	351.43	9.98	-69.54
C[NH+](C)CC1=CN=C(CN2CCC(C3=NC=C(C(=O)[O-])S3)CC2)S1	REAL300018120772	1	46	0.0	-73.42	387.35	6.98	-66.44
O=C([O-])C1=CN=C(C2CC[NH+](CCC3=CC=C(Cl)C=C3)CC2)S1	REAL300018120774	0	42	0.0	-78.34	363.64	11.09	-67.25
CC1=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)N(C)N=C1	REAL300018120775	0	42	0.0	-80.13	339.94	7.76	-72.37
C[NH+](C)CC1=CC(CN2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=NO1	REAL300018120777	1	46	0.0	-79.33	377.75	6.92	-72.41
CN(C)C1=NC=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120779	0	46	0.0	-74.16	375.99	8.83	-65.33
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COCCOCC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1	REAL300018120781	0	53	0.0	-77.60	434.58	9.61	-67.99
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(C4CCCC4)C=C3)CC2)S1	REAL300018120782	0	52	0.0	-73.85	407.91	12.90	-60.95
COC1=CC=C(F)C=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120783	1	43	0.0	-72.42	354.48	9.33	-63.09
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CN(CC(F)F)N=C3)CC2)S1	REAL300018120784	0	42	0.0	-83.36	360.78	8.61	-74.75
CN1N=CC=C1C1=CC=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120785	0	49	0.0	-74.77	397.90	10.55	-64.22
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(C4CCC4)C=C3)CC2)S1	REAL300018120786	0	49	0.0	-73.93	390.16	12.29	-61.64
CC1=NOC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120787	0	38	0.0	-81.44	323.19	7.81	-73.63
CC1=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=CS1	REAL300018120788	0	39	0.0	-73.54	333.49	9.43	-64.11
CC1=CN=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)S1	REAL300018120789	1	38	0.0	-71.60	332.06	7.90	-63.70
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C4CCCC4=N3)CC2)S1	REAL300018120790	0	45	0.0	-73.62	365.13	9.67	-63.95
CC1=CC=CC=C1C1=CC=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120791	0	52	0.0	-70.69	412.12	13.61	-57.08
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=NN3C3CCCC3)CC2)S1	REAL300018120792	1	49	0.0	-80.96	391.17	10.14	-70.82
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CC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)N=N1	REAL300018120795	1	40	0.0	-79.98	336.57	7.42	-72.56
CC1=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=CC=C1C(F)(F)F	REAL300018120796	0	45	0.0	-82.03	378.78	11.23	-70.80
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CN=NN3C3=CC=CC=C3)CC2)S1	REAL300018120797	1	45	0.0	-84.60	375.88	9.31	-75.29
CCC1=CC=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1O	REAL300018120798	0	46	0.0	-73.82	376.13	8.46	-65.36
CCCCOC1=CC=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120799	0	52	0.0	-69.78	418.24	11.57	-58.21
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C4OCCOC4=C3)CC2)S1	REAL300018120800	0	45	0.0	-78.72	368.85	8.86	-69.86
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COC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1OC	REAL300018120802	0	47	0.0	-80.71	382.79	8.86	-71.85
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=CC=C3C(F)(F)F)CC2)S1	REAL300018120803	0	42	0.0	-71.76	352.56	10.66	-61.10
CCOC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1OC	REAL300018120804	0	50	0.0	-80.69	404.65	9.78	-70.91
CC1=CC=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120805	0	42	0.0	-73.17	340.71	10.27	-62.90
CCC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1	REAL300018120806	0	45	0.0	-73.61	366.92	11.09	-62.52
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(C4=CC=C(F)C=C4)O3)CC2)S1	REAL300018120807	0	46	0.0	-78.71	391.16	11.66	-67.05
CC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1C	REAL300018120808	0	45	0.0	-73.53	362.77	10.92	-62.61
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CN1C=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=N1	REAL300018120810	0	39	0.0	-77.85	327.37	7.43	-70.42
CC1=NN(C)C(Cl)=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120811	1	42	0.0	-74.83	359.39	8.16	-66.67
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(N4C=CC=N4)C=C3)CC2)S1	REAL300018120812	0	46	0.0	-83.68	382.75	10.91	-72.77
CCOC1=CC=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300018120813	0	46	0.0	-74.73	375.71	9.93	-64.80
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=CC4=C3OCO4)CC2)S1	REAL300018120814	0	42	0.0	-74.25	346.78	8.42	-65.83
O=C([O-])C1=CN=C(C2CC[NH+](CC3CC=CCC3)CC2)S1	REAL300018120816	0	43	0.0	-73.69	338.37	10.04	-63.65
O=C([O-])C1=CN=C(C2CC[NH+](CC3CCCCC3)CC2)S1	REAL300018120817	0	45	0.0	-72.10	345.93	10.12	-61.98
COC1=NC2=CC=CC=C2C=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120818	0	48	0.0	-78.94	396.66	8.71	-70.23
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(F)C(Cl)=C3)CC2)S1	REAL300018120819	1	39	0.0	-83.48	346.64	10.21	-73.27
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(F)C(C(F)(F)F)=C3)CC2)S1	REAL300018120820	1	42	0.0	-86.82	368.68	10.76	-76.06
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC(Cl)=CC=C3Cl)CC2)S1	REAL300018120821	1	39	0.0	-72.68	354.63	10.66	-62.02
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(F)C=C3C(F)(F)F)CC2)S1	REAL300018120822	1	42	0.0	-76.85	358.91	10.71	-66.14
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC(F)=CC(C(F)(F)F)=C3)CC2)S1	REAL300018120823	1	42	0.0	-83.24	369.55	10.74	-72.50
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC(F)=CC=C3Br)CC2)S1	REAL300018120824	1	39	0.0	-72.90	347.86	10.32	-62.58
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC(Cl)=CC=C3F)CC2)S1	REAL300018120825	1	39	0.0	-74.03	347.52	10.23	-63.80
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC(F)=CC(F)=C3)CC2)S1	REAL300018120826	1	39	0.0	-81.73	336.87	9.79	-71.94
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=CC(C4=CC=CC=N4)=C3)CC2)S1	REAL300018120827	0	48	0.0	-76.25	395.76	11.53	-64.72
CC1=NN(C(C)(C)C)C(C)=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120828	0	54	0.0	-76.37	415.26	10.07	-66.30
CC1=NN(C)C=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120829	0	42	0.0	-78.27	349.81	8.12	-70.15
CCC(C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1)C1=CC=CC=C1	REAL300018120830	0	48	0.0	-74.54	380.32	11.72	-62.82
CC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(Br)=C1	REAL300018120831	0	42	0.0	-70.97	363.00	11.01	-59.96
O=C([O-])C1=CN=C(C2CC[NH+](CC=CC3=CC=C(F)C=C3)CC2)S1	REAL300018120832	0	43	0.0	-79.34	364.59	11.22	-68.12
CCN1N=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120833	1	42	0.0	-79.92	344.10	8.15	-71.77
O=C([O-])C1=CN=C(C2CC[NH+](CC3=NC=CC=C3C(F)(F)F)CC2)S1	REAL300018120834	1	41	0.0	-67.70	349.17	9.10	-58.60
COC1=CC=C2OC(C[NH+]3CCC(C4=NC=C(C(=O)[O-])S4)CC3)=CC2=C1	REAL300018120835	0	46	0.0	-79.05	382.87	9.63	-69.42
CC1=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C2=CC=CC=C2O1	REAL300018120836	0	45	0.0	-77.39	372.25	10.73	-66.66
CN1C=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300018120837	0	40	0.0	-69.97	331.94	9.34	-60.63
O=C([O-])C1=CN=C(C2CC[NH+](CC3=COC4=CC=CC=C34)CC2)S1	REAL300018120838	0	42	0.0	-78.46	353.43	10.12	-68.34
CC1=CC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=C1Br	REAL300018120839	0	42	0.0	-77.24	363.55	10.84	-66.40
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CC1=CN2C(C[NH+]3CCC(C4=NC=C(C(=O)[O-])S4)CC3)=CN=C2C=C1	REAL300018120841	0	45	0.0	-81.20	373.72	10.76	-70.44
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CN=C4C=CSC4=C3)CC2)S1	REAL300018120842	0	41	0.0	-82.04	355.98	9.13	-72.91
CC1=CC(Cl)=CC(C)=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120844	0	45	0.0	-76.99	369.93	11.12	-65.87
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(OC(F)F)C(F)=C3)CC2)S1	REAL300018120845	0	43	0.0	-83.08	369.53	9.30	-73.78
CC1=NN2C(=NC(C)=C2C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)S1	REAL300018120846	1	44	0.0	-77.09	379.64	9.13	-67.96
CC1=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C(C)O1	REAL300018120848	0	42	0.0	-73.88	349.24	9.34	-64.54
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CC=C(C4=CC=NC=C4)C=C3F)CC2)S1	REAL300018120849	0	48	0.0	-79.65	399.82	11.50	-68.15
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CC1CCC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)CC1	REAL300018120851	0	48	0.0	-72.33	366.90	10.74	-61.59
CC1(C)CCC2=C(C1)SC(C[NH+]1CCC(C3=NC=C(C(=O)[O-])S3)CC1)=N2	REAL300018120852	1	51	0.0	-72.56	408.26	10.32	-62.24
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CN=C(C4CCCO4)S3)CC2)S1	REAL300018120853	1	46	0.0	-78.95	388.21	7.94	-71.01
CC1=CC(Cl)=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120854	0	42	0.0	-77.42	356.70	10.83	-66.59
CCN1N=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C2=CC=CC=C21	REAL300018120856	1	48	0.0	-75.00	397.20	10.58	-64.42
CCSC1=CC=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300018120858	0	46	0.0	-74.81	386.04	11.57	-63.24
O=C([O-])C1=CN=C(C2CC[NH+](CCSCC3=CC=CC=C3)CC2)S1	REAL300018120859	0	46	0.0	-74.45	391.61	11.92	-62.53
CCCC1=CC=CC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300018120860	0	48	0.0	-73.87	388.74	11.93	-61.94
O=C([O-])C1=CN=C(C2CC[NH+](CCCC3=CC=C4OCCC4=C3)CC2)S1	REAL300018120861	0	50	0.0	-79.33	404.30	11.19	-68.14
CC1=CCCC(C)C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120862	0	49	0.0	-70.07	361.99	10.59	-59.48
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COCCC1=NC=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)S1	REAL300018120983	0	45	0.0	-77.87	386.05	7.50	-70.37
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CN(CC(F)(F)F)N=C3)CC2)S1	REAL300018120984	0	42	0.0	-82.72	366.79	8.78	-73.94
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COCCOC1=CC=CC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120987	0	50	0.0	-69.86	408.90	9.25	-60.61
CC1=C(Br)C=NC=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120988	1	41	0.0	-80.37	354.54	8.95	-71.42
C#CCOC1=CC=CC(Cl)=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120989	1	45	0.0	-65.45	388.75	10.71	-54.74
O=C([O-])C1=CN=C(C2CC[NH+](CC3=NC4=C(CCC4)S3)CC2)S1	REAL300018120990	1	42	0.0	-72.48	356.43	9.15	-63.33
CN1C=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(C2=CC=CS2)=N1	REAL300018120991	0	46	0.0	-75.91	391.96	10.10	-65.81
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120992	0	52	0.0	-81.24	426.12	12.11	-69.13
CN1C=C(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C(C(C)(C)C)=N1	REAL300018120993	0	51	0.0	-78.07	397.38	9.60	-68.47
CC1=CC=C(C2=NN(C)C=C2C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)O1	REAL300018120994	0	49	0.0	-77.01	412.32	10.04	-66.97
CN(C)C1=CC=C(F)C=C1C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120995	0	47	0.0	-71.98	384.41	9.76	-62.22
O=C([O-])C1=CN=C(C2CC[NH+](CC3=CN=C(C4=CC=CN=C4)S3)CC2)S1	REAL300018120996	0	44	0.0	-79.30	384.20	8.96	-70.34
CC(C)(C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1)C1=CC=CC=C1	REAL300018120997	0	48	0.0	-73.74	370.06	11.32	-62.42
CC1CCCC(C[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C1	REAL300018120998	0	48	0.0	-72.47	359.86	10.49	-61.98
CC(CCC1=CC=CC=C1)C[NH+]1CCC(C2=NC=C(C(=O)[O-])S2)CC1	REAL300018120999	0	51	0.0	-73.41	404.07	12.66	-60.75
CC1=CC=C(CCC[NH+]2CCC(C3=NC=C(C(=O)[O-])S3)CC2)C=N1	REAL300018121000	0	47	0.0	-79.13	384.86	10.17	-68.96
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1F	REAL300018122312	0	56	0.0	-78.55	442.22	13.68	-64.87
CC1(C)CCCCC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122313	0	62	0.0	-69.83	441.65	13.40	-56.43
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018122315	0	55	0.0	-76.63	452.09	14.05	-62.58
CC(C)=CCCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122316	0	62	0.0	-71.61	464.76	14.08	-57.53
CC1(C)CC([NH2+]CCCCCCCCCCCC(=O)[O-])CC(C)(C)C1	REAL300018122317	0	68	0.0	-73.01	485.44	14.27	-58.74
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122318	0	66	0.0	-77.39	504.37	15.15	-62.24
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(Cl)=C1OC	REAL300018122319	0	61	0.0	-77.98	490.12	12.76	-65.22
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018122320	0	60	0.0	-78.39	482.87	15.59	-62.80
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018122321	0	56	0.0	-76.47	452.89	14.51	-61.96
CC(C)OC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122322	0	63	0.0	-77.27	484.79	13.82	-63.45
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1F	REAL300018122323	0	56	0.0	-80.19	442.23	13.67	-66.52
CC1CCC(C)C([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122324	0	62	0.0	-70.54	445.49	13.41	-57.13
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018122325	0	57	0.0	-77.81	446.87	12.97	-64.84
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018122326	0	52	0.0	-90.05	435.55	12.77	-77.28
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018122327	0	66	0.0	-74.48	500.07	12.53	-61.95
CC1CC(C)CC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122328	0	62	0.0	-71.95	449.04	13.31	-58.64
CC(C)CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122329	0	65	0.0	-74.14	496.70	15.65	-58.49
CC1=CC=C(C2=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C2)C=C1	REAL300018122330	0	66	0.0	-78.11	511.12	17.05	-61.06
CC1=CC(C)=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122331	0	59	0.0	-74.53	458.32	14.29	-60.24
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300018122332	0	59	0.0	-92.39	471.03	13.71	-78.68
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018122333	0	53	0.0	-80.17	448.97	13.98	-66.19
CC1=CC=CC(C)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122334	0	59	0.0	-74.16	448.66	14.04	-60.12
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122335	0	66	0.0	-77.28	511.56	17.05	-60.23
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018122336	0	57	0.0	-79.81	454.76	12.55	-67.26
CCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1OCC	REAL300018122337	0	67	0.0	-81.61	517.96	14.01	-67.60
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC=CS1	REAL300018122338	0	49	0.0	-73.79	400.29	10.11	-63.68
CC(C)C1CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122339	0	65	0.0	-71.11	463.84	14.30	-56.81
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=CN=C1	REAL300018122340	0	51	0.0	-81.93	405.13	10.98	-70.95
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018122341	0	56	0.0	-86.62	455.11	12.07	-74.55
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018122342	0	58	0.0	-84.09	451.95	13.23	-70.86
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018122343	0	57	0.0	-79.63	461.51	12.76	-66.87
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122344	0	59	0.0	-87.06	476.19	10.49	-76.57
CC(CCOCC1=CC=CC=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122345	0	66	0.0	-74.56	506.50	14.38	-60.18
O=C([O-])CCCCCCCCCCC[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018122346	0	60	0.0	-78.57	475.95	15.27	-63.30
CC(C)CCCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122347	0	64	0.0	-70.82	473.12	14.13	-56.69
CCCCC(CC)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122348	0	61	0.0	-70.61	452.22	13.47	-57.14
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300018122349	0	63	0.0	-79.65	484.83	14.46	-65.19
CCC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122350	0	56	0.0	-73.00	449.10	13.65	-59.35
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CCCOC1	REAL300018122351	0	55	0.0	-74.47	422.49	10.79	-63.68
CN1C2=CC=CC=C2N=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122352	0	59	0.0	-81.36	461.92	13.31	-68.05
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2OCCC2=C1	REAL300018122353	0	58	0.0	-79.24	451.40	12.80	-66.44
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC(Br)=C1	REAL300018122354	0	50	0.0	-77.87	427.16	12.64	-65.23
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018122355	0	64	0.0	-79.39	489.43	12.88	-66.51
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122356	0	61	0.0	-90.71	492.80	9.58	-81.13
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=CS1	REAL300018122357	0	49	0.0	-76.68	400.26	10.22	-66.46
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018122358	0	57	0.0	-73.88	446.68	12.99	-60.89
CN1C=NC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122359	0	53	0.0	-79.96	415.65	12.11	-67.85
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018122360	0	57	0.0	-77.78	446.87	13.00	-64.78
CC1=NN(C)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122361	0	56	0.0	-81.75	438.06	11.12	-70.63
CC(CC1=CC=CS1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122362	0	56	0.0	-68.73	440.63	13.43	-55.30
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018122363	0	56	0.0	-79.08	455.06	12.06	-67.02
CC1=CC(F)=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122364	0	56	0.0	-79.29	436.69	13.67	-65.62
CC1(C)CCC2=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C2O1	REAL300018122365	0	67	0.0	-77.77	506.13	14.79	-62.98
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122366	0	68	0.0	-73.18	495.01	15.91	-57.27
CN(C)C1=CC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122367	0	61	0.0	-70.61	468.60	12.99	-57.62
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018122368	0	62	0.0	-79.71	484.74	14.61	-65.10
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018122369	0	62	0.0	-81.75	484.92	14.62	-67.13
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC=N1	REAL300018122370	0	49	0.0	-72.65	400.12	9.98	-62.67
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018122371	0	62	0.0	-82.64	496.84	11.46	-71.18
O=C([O-])CCCCCCCCCCC[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018122372	0	63	0.0	-79.46	475.40	10.81	-68.65
O=C([O-])CCCCCCCCCCC[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018122373	0	67	0.0	-75.85	503.10	11.70	-64.15
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018122374	0	60	0.0	-82.94	480.75	14.25	-68.69
CC1=NNC(C)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122375	0	56	0.0	-77.94	435.98	10.50	-67.44
CC(C)(C)N1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122376	0	62	0.0	-76.79	478.27	12.79	-64.00
CN1N=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122377	0	53	0.0	-81.34	416.13	10.54	-70.80
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018122378	0	63	0.0	-83.03	484.52	12.85	-70.18
CC(C)C1=NN(C)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122380	0	62	0.0	-78.89	480.72	12.61	-66.28
COCCOC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122381	0	64	0.0	-77.19	500.49	12.47	-64.72
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1Cl	REAL300018122382	0	57	0.0	-80.62	461.03	12.82	-67.80
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018122383	0	58	0.0	-76.73	475.77	11.89	-64.84
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122384	0	65	0.0	-80.86	496.89	14.54	-66.32
COC1=NC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122385	0	56	0.0	-74.17	441.28	9.74	-64.43
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(Br)C=N1	REAL300018122386	0	52	0.0	-76.83	431.80	11.75	-65.08
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018122387	0	62	0.0	-78.84	489.19	10.28	-68.56
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018122388	0	58	0.0	-83.70	451.61	13.22	-70.48
CC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122389	0	52	0.0	-76.55	422.21	10.93	-65.62
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018122390	0	59	0.0	-74.52	458.43	12.18	-62.34
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018122391	0	62	0.0	-77.55	475.32	12.99	-64.56
O=C([O-])CCCCCCCCCCC[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018122392	0	60	0.0	-77.30	475.06	15.28	-62.02
O=C([O-])CCCCCCCCCCC[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018122393	0	60	0.0	-75.02	471.98	15.16	-59.86
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018122394	0	61	0.0	-84.33	484.67	14.25	-70.08
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018122395	0	64	0.0	-84.39	493.65	11.35	-73.04
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122396	0	65	0.0	-80.01	501.28	15.04	-64.97
CCCOC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122397	0	63	0.0	-75.63	488.36	14.00	-61.63
CC(CN1C=NC=N1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122398	0	55	0.0	-72.55	424.79	13.36	-59.19
C#CCCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122399	0	62	0.0	-78.16	494.15	14.52	-63.64
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018122400	0	60	0.0	-76.81	481.55	15.55	-61.26
CC1=C2C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=NC2=NN1	REAL300018122401	0	58	0.0	-90.63	458.57	11.49	-79.14
CC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122402	0	54	0.0	-82.19	426.98	10.95	-71.24
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018122403	0	67	0.0	-75.46	510.23	15.19	-60.27
CCC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122404	0	55	0.0	-76.51	443.69	11.69	-64.82
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC=C1N1C=NC=N1	REAL300018122405	0	59	0.0	-69.88	459.81	16.06	-53.82
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300018122406	0	62	0.0	-77.50	489.57	12.35	-65.15
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300018122407	0	62	0.0	-80.44	489.88	12.38	-68.06
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C2C=CC=CN12	REAL300018122408	0	56	0.0	-83.02	442.35	13.41	-69.61
CN(C)C1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122409	0	57	0.0	-75.95	457.13	11.89	-64.06
CC(C)OC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122410	0	63	0.0	-75.44	484.79	13.82	-61.62
CC(C)C1=NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CS1	REAL300018122411	0	58	0.0	-72.36	463.27	12.01	-60.35
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC(C2CC2)=N1	REAL300018122412	0	56	0.0	-72.80	451.96	12.20	-60.60
CCC1=NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CS1	REAL300018122413	0	55	0.0	-72.54	443.55	11.44	-61.10
CC(CCC1=CC=CC(F)=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122414	0	62	0.0	-78.50	478.88	15.15	-63.35
CC1=CC=CC(CCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122415	0	65	0.0	-74.82	493.87	15.76	-59.06
CC1=CC=C(CCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122416	0	65	0.0	-74.73	493.87	15.77	-58.96
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC(F)(F)CC1	REAL300018122417	0	56	0.0	-78.52	425.52	12.48	-66.04
CC(C1=CC=CC=C1)N1CCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122418	0	68	0.0	-73.02	510.17	13.53	-59.49
O=C([O-])CCCCCCCCCCC[NH2+]C1CCN(CC2CC2)CC1	REAL300018122419	1	65	0.0	-72.64	481.99	12.19	-60.45
CC(C)(C)C1=NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CS1	REAL300018122420	0	61	0.0	-72.19	482.21	12.52	-59.67
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018122421	0	56	0.0	-74.48	471.38	12.70	-61.78
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018122422	0	57	0.0	-83.91	451.55	11.39	-72.52
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300018122423	0	67	0.0	-70.60	509.22	15.24	-55.36
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018122424	0	56	0.0	-76.22	459.20	13.99	-62.23
CC(C)(C)C1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122425	0	61	0.0	-76.14	482.35	12.76	-63.38
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C(C)S1	REAL300018122427	0	56	0.0	-74.54	444.61	13.50	-61.04
CC([NH2+]CCCCCCCCCCCC(=O)[O-])C1CCCC1	REAL300018122428	0	59	0.0	-71.48	429.26	12.88	-58.60
C#CCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122429	0	59	0.0	-79.85	472.65	13.75	-66.10
O=C([O-])CCCCCCCCCCC[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018122430	0	67	0.0	-76.47	502.55	11.77	-64.70
COCCCOC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122432	0	67	0.0	-77.23	522.03	13.07	-64.16
COC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1SC	REAL300018122433	0	61	0.0	-81.67	484.42	13.32	-68.35
CCOCC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1OC	REAL300018122434	0	67	0.0	-75.96	519.09	13.18	-62.78
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018122435	0	60	0.0	-84.00	474.91	12.90	-71.10
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122436	0	62	0.0	-81.24	493.71	13.93	-67.31
C=CCCC(CC)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122437	0	59	0.0	-71.54	443.54	13.25	-58.29
CCN1C=CN=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122438	0	56	0.0	-77.10	437.25	12.21	-64.89
CCOCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122439	0	56	0.0	-69.32	426.32	10.66	-58.66
CCCC(CC1=CC=CC=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122440	0	65	0.0	-71.98	489.69	15.70	-56.28
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300018122441	0	59	0.0	-81.30	468.41	12.80	-68.50
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018122442	0	59	0.0	-76.69	478.66	13.74	-62.95
CCN1N=C(C)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1C	REAL300018122443	0	62	0.0	-78.05	479.21	12.61	-65.44
C=CCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1Cl	REAL300018122444	0	61	0.0	-80.98	495.79	14.33	-66.65
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018122445	0	59	0.0	-78.52	480.53	13.99	-64.53
C=CCC(C)C(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122446	0	59	0.0	-71.01	440.43	13.05	-57.96
COCCC(CC1=CC=CC(F)=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122447	0	66	0.0	-78.57	508.23	14.04	-64.53
CC(C)CCC1CCCC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122448	0	68	0.0	-71.89	497.32	15.16	-56.73
CCCCC1CCCC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122449	0	65	0.0	-71.72	479.75	14.63	-57.09
COC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C2OC(C)CC2=C1	REAL300018122450	0	65	0.0	-73.80	501.94	12.84	-60.96
CN1N=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C2=CC=CC=C21	REAL300018122451	0	59	0.0	-77.15	465.45	12.89	-64.26
CN1C=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122452	0	53	0.0	-73.27	418.37	10.68	-62.59
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2C=CC=CC2=NN1	REAL300018122453	0	56	0.0	-87.26	442.40	11.59	-75.67
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NNC2=CC=CC=C21	REAL300018122453	1	56	0.0	-77.26	442.59	11.60	-65.66
CN(C)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1F	REAL300018122454	0	61	0.0	-81.04	476.58	12.52	-68.52
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018122455	0	56	0.0	-80.07	452.71	12.46	-67.61
CC1(C)CC2=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C2O1	REAL300018122457	0	64	0.0	-79.41	492.93	14.22	-65.19
CC1=NSC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122458	0	52	0.0	-79.74	422.06	11.39	-68.35
O=C([O-])CCCCCCCCCCC[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300018122459	0	59	0.0	-77.08	472.16	11.41	-65.67
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018122460	0	56	0.0	-74.84	471.98	12.79	-62.05
CC(CC1=CSC=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122461	0	56	0.0	-71.28	440.51	13.22	-58.06
O=C([O-])CCCCCCCCCCC[NH2+]CC1CCCCCCC1	REAL300018122462	0	65	0.0	-74.34	458.18	14.14	-60.20
CC1=CSC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122463	0	52	0.0	-74.04	422.09	10.70	-63.34
CC1=CC=CC(C2=NNC=C2C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122464	0	63	0.0	-77.47	493.09	13.50	-63.97
CC1=NC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122465	0	55	0.0	-78.46	425.41	11.77	-66.69
CC(CSC(C)(C)C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122466	0	62	0.0	-68.23	471.38	13.74	-54.49
CN(C)C1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N1C	REAL300018122467	0	61	0.0	-80.72	467.99	12.38	-68.34
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC(C2=CC=CC=C2)=CN1	REAL300018122468	0	60	0.0	-80.65	474.42	13.28	-67.37
CC(C)OCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122469	0	59	0.0	-69.53	446.59	11.43	-58.10
CC(C)COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122470	0	66	0.0	-77.00	508.47	14.69	-62.31
COCCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122471	0	64	0.0	-79.41	500.49	12.47	-66.94
COCC(CC(C)C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122472	0	62	0.0	-69.44	461.19	11.80	-57.64
CC1(C)CCCC(C[NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122473	0	65	0.0	-74.18	470.49	14.18	-60.00
CC1=CC(N(C)C)=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122474	0	64	0.0	-73.91	481.38	13.97	-59.94
CC1(C)CCCC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122475	0	59	0.0	-69.89	432.18	13.29	-56.60
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2CCCC2=C1	REAL300018122476	0	60	0.0	-74.91	461.05	14.88	-60.03
CC1=CC=CC=C1CC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122477	0	62	0.0	-71.28	466.45	14.71	-56.57
CC1=CC=CC(CC(C)[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122478	0	62	0.0	-71.09	471.71	14.98	-56.11
COC1=CC2=C(C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-])OCO2	REAL300018122479	0	60	0.0	-76.64	469.66	10.99	-65.65
COC1=CC(Cl)=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1OC	REAL300018122480	0	61	0.0	-76.84	486.04	12.65	-64.19
COC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])SC=C1	REAL300018122481	0	54	0.0	-68.99	435.63	11.38	-57.61
CC(C)COC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122482	0	66	0.0	-75.37	508.47	14.69	-60.68
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018122483	0	59	0.0	-82.87	462.04	15.14	-67.73
O=C([O-])CCCCCCCCCCC[NH2+]CCC1CCOCC1	REAL300018122484	0	60	0.0	-76.49	448.93	11.52	-64.97
O=C([O-])CCCCCCCCCCC[NH2+]CC1CCSCC1	REAL300018122485	0	57	0.0	-78.65	436.09	13.02	-65.63
CC(C)COC1=CC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122486	0	66	0.0	-70.63	507.05	14.76	-55.87
O=C([O-])CCCCCCCCCCC[NH2+]CC1CCCCCC1	REAL300018122487	0	62	0.0	-73.80	448.42	13.69	-60.11
CC1(C)CC2=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C2O1	REAL300018122488	0	64	0.0	-71.17	492.81	14.19	-56.98
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C(Cl)C=NC=C1Cl	REAL300018122489	0	52	0.0	-71.86	438.97	12.01	-59.85
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018122490	0	59	0.0	-73.64	464.03	12.72	-60.92
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=NC=C1Br	REAL300018122491	0	52	0.0	-75.88	426.32	11.77	-64.11
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=NC=C1Cl	REAL300018122492	0	52	0.0	-76.37	422.71	11.68	-64.69
CC(C)(C[NH2+]CCCCCCCCCCCC(=O)[O-])N1CCOCC1	REAL300018122493	0	65	0.0	-73.63	468.31	9.87	-63.76
CCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1CCCC1	REAL300018122494	0	62	0.0	-70.81	447.59	13.59	-57.22
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=NN1C	REAL300018122495	0	56	0.0	-73.06	437.87	11.14	-61.92
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122496	0	59	0.0	-69.83	464.66	15.18	-54.65
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018122497	0	63	0.0	-77.25	494.83	14.15	-63.10
CCC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122498	0	57	0.0	-82.12	448.46	11.55	-70.57
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018122499	0	60	0.0	-78.57	473.86	14.16	-64.41
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=NO1	REAL300018122500	0	52	0.0	-74.85	412.43	11.12	-63.73
CCN1C=NC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122501	0	56	0.0	-78.26	432.28	13.10	-65.16
CC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N1C	REAL300018122502	0	56	0.0	-80.45	436.45	11.96	-68.49
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018122503	0	58	0.0	-82.96	456.51	13.45	-69.51
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=NNC=C21	REAL300018122504	0	56	0.0	-86.13	441.63	11.67	-74.46
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=CNN=C21	REAL300018122505	0	56	0.0	-71.93	441.78	11.66	-60.27
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C2CCCN12	REAL300018122506	0	57	0.0	-79.94	441.51	12.55	-67.39
CS(=O)(=O)N1CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122507	0	61	0.0	-87.03	469.24	8.79	-78.24
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(F)C=N1	REAL300018122508	0	52	0.0	-77.39	416.89	11.22	-66.17
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])SC=N1	REAL300018122509	0	52	0.0	-76.94	419.02	10.71	-66.23
COC1=CC(F)=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122510	0	57	0.0	-79.29	451.42	12.34	-66.95
CC(CC1=CN=CC=N1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122511	0	57	0.0	-69.95	438.02	11.34	-58.61
CC(C)(C)C1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122512	0	63	0.0	-81.65	487.13	12.92	-68.73
CC1=NOC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122513	0	52	0.0	-81.03	412.43	11.15	-69.88
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=CO1	REAL300018122514	0	53	0.0	-74.53	415.42	11.76	-62.77
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(Cl)=C1	REAL300018122515	0	56	0.0	-71.47	449.62	14.08	-57.39
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018122516	0	55	0.0	-94.02	456.18	14.01	-80.01
O=C([O-])CCCCCCCCCCC[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018122517	0	56	0.0	-78.53	453.75	14.26	-64.27
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018122518	0	63	0.0	-68.84	465.88	15.63	-53.21
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018122519	0	58	0.0	-72.13	472.02	14.01	-58.12
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018122520	0	58	0.0	-66.96	469.26	13.90	-53.06
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018122521	0	58	0.0	-75.16	460.89	13.55	-61.61
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018122522	0	58	0.0	-73.09	461.72	13.58	-59.51
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018122523	0	58	0.0	-74.40	469.73	13.93	-60.47
CS(=O)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122524	0	58	0.0	-87.81	467.71	11.56	-76.25
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018122525	0	55	0.0	-85.79	455.53	14.12	-71.67
CC(C)CCN1C=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122526	0	66	0.0	-75.81	502.52	15.36	-60.45
CCC1=CC=C(C2=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])O2)C=C1	REAL300018122527	0	66	0.0	-76.95	518.63	16.30	-60.65
CCC1CC([NH2+]CCCCCCCCCCCC(=O)[O-])CCO1	REAL300018122528	0	60	0.0	-74.48	447.49	11.56	-62.92
CC(C)C1CC([NH2+]CCCCCCCCCCCC(=O)[O-])CCO1	REAL300018122529	0	63	0.0	-74.71	464.49	12.09	-62.62
CCN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018122530	0	66	0.0	-77.36	516.34	14.99	-62.37
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018122531	0	63	0.0	-74.57	478.20	15.46	-59.11
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018122532	0	72	0.0	-71.70	505.47	16.18	-55.52
CC(C)CC(C)CC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122533	0	67	0.0	-71.14	486.61	14.50	-56.64
CC1=CC=C(C(C)C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122534	0	62	0.0	-75.67	472.93	14.94	-60.73
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1C(C)(C)C	REAL300018122535	0	69	0.0	-76.86	516.18	14.95	-61.91
COCC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])O1	REAL300018122536	0	57	0.0	-76.85	451.83	10.99	-65.86
CC(C)(C)OC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122537	0	66	0.0	-75.08	495.91	14.10	-60.98
CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])C1CCCCC1	REAL300018122538	0	65	0.0	-73.27	471.36	14.40	-58.87
NS(=O)(=O)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122539	0	58	0.0	-88.10	469.74	7.92	-80.18
CCC(CC)(CC)C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122540	0	64	0.0	-71.48	454.04	13.46	-58.02
CC1=CN=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])O1	REAL300018122541	0	52	0.0	-75.77	412.91	8.53	-67.24
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018122542	0	60	0.0	-76.16	466.89	14.93	-61.23
CC1=CNC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122543	0	53	0.0	-77.47	416.85	10.30	-67.17
CCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C1	REAL300018122544	0	63	0.0	-77.10	481.68	13.82	-63.28
COC1=CC(C)=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122545	0	60	0.0	-70.62	465.07	13.00	-57.62
O=C([O-])CCCCCCCCCCC[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018122546	0	63	0.0	-78.41	475.03	15.41	-63.00
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122547	0	55	0.0	-79.34	457.17	12.07	-67.27
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018122548	0	63	0.0	-78.92	481.91	15.38	-63.54
CC1=NC(C)=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])O1	REAL300018122549	0	55	0.0	-78.70	432.64	9.09	-69.61
COCC1=CSC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122550	0	57	0.0	-75.12	461.03	11.80	-63.32
CCCC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122551	0	59	0.0	-73.06	470.60	14.43	-58.63
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N=C1	REAL300018122552	0	55	0.0	-72.97	431.92	11.80	-61.17
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=NS1	REAL300018122553	0	49	0.0	-79.46	400.31	10.79	-68.67
CC(C)N1C=CN=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122554	0	59	0.0	-76.69	456.36	12.78	-63.91
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018122555	0	58	0.0	-88.42	453.13	14.09	-74.33
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1Br	REAL300018122556	0	56	0.0	-78.97	455.00	14.16	-64.81
COC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1Cl	REAL300018122557	0	57	0.0	-82.53	461.04	12.82	-69.71
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CS1	REAL300018122558	0	53	0.0	-74.51	427.37	12.72	-61.79
COC1=CC=CC(C)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122559	0	60	0.0	-70.45	459.81	12.89	-57.56
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018122560	0	56	0.0	-74.55	442.84	13.29	-61.26
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018122561	0	60	0.0	-75.94	474.40	14.09	-61.85
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018122562	0	52	0.0	-84.23	441.57	11.39	-72.84
CC1CSCC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122563	0	54	0.0	-75.85	416.81	12.12	-63.73
CCC1=NN(C)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122564	0	59	0.0	-77.90	455.19	12.13	-65.77
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN2CCCCC2=C1	REAL300018122565	0	60	0.0	-72.88	460.10	12.30	-60.58
CCC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122566	0	59	0.0	-74.50	458.39	14.40	-60.10
COC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122567	0	53	0.0	-78.61	433.02	8.57	-70.04
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018122568	0	57	0.0	-80.79	454.02	14.54	-66.25
CC1=NC=CN=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122569	0	54	0.0	-76.97	422.48	9.77	-67.20
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2(CC2)CC1	REAL300018122570	0	60	0.0	-72.76	445.80	13.66	-59.10
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018122571	0	58	0.0	-76.42	454.94	10.33	-66.09
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018122572	0	56	0.0	-81.79	459.07	13.92	-67.87
O=C([O-])CCCCCCCCCCC[NH2+]C1C[C@@H]2CC[C@@H](C2)C1	REAL300018122573	0	60	0.0	-67.07	418.11	13.88	-53.19
CC1=CC=CN2C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CN=C12	REAL300018122574	0	59	0.0	-82.75	463.79	14.01	-68.74
CCN1N=CN=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122575	0	55	0.0	-81.96	428.89	12.14	-69.82
CN1C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CN=C1Cl	REAL300018122576	0	53	0.0	-83.59	431.84	11.83	-71.76
CN1C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CN=C1Br	REAL300018122577	0	53	0.0	-83.52	436.14	11.86	-71.66
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018122578	0	59	0.0	-83.21	474.82	12.87	-70.34
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018122579	0	53	0.0	-86.69	436.56	10.31	-76.38
CC1=CN=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N1C	REAL300018122580	0	56	0.0	-77.43	435.91	11.83	-65.60
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018122581	0	57	0.0	-82.42	453.90	12.99	-69.43
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018122582	0	57	0.0	-83.02	453.80	12.98	-70.04
CCOC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122583	0	59	0.0	-76.33	464.53	10.57	-65.76
CC1=C(Cl)C=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122584	0	56	0.0	-77.30	444.36	14.03	-63.27
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018122585	0	55	0.0	-81.39	447.63	12.72	-68.67
CC1=CC=CC2=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N21	REAL300018122586	0	59	0.0	-81.84	452.82	13.79	-68.05
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122587	0	65	0.0	-80.61	499.56	13.70	-66.91
CCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1CC1(C)C	REAL300018122588	0	62	0.0	-69.65	458.10	13.81	-55.84
C=CCCCCCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122589	0	65	0.0	-71.07	489.86	14.98	-56.09
C=CCCCCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122590	0	62	0.0	-71.40	468.36	14.18	-57.22
CC1=CC(Cl)=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122591	0	56	0.0	-77.55	453.65	14.14	-63.41
COCC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122592	0	60	0.0	-77.07	470.57	12.70	-64.37
COCC(CC(C)(C)C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122593	0	65	0.0	-67.91	475.00	12.49	-55.42
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018122594	0	58	0.0	-88.26	462.93	13.41	-74.85
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC2=CC=CN=C12	REAL300018122595	0	61	0.0	-83.03	476.75	14.17	-68.86
CC(C)C1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122596	0	65	0.0	-71.18	463.85	14.28	-56.90
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])SN=N1	REAL300018122597	0	51	0.0	-84.92	414.67	10.13	-74.79
CCCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1C	REAL300018122598	0	66	0.0	-77.17	508.44	14.74	-62.43
COC1=C(C)C=NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1C	REAL300018122599	0	62	0.0	-74.93	477.97	11.77	-63.16
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122600	0	63	0.0	-74.51	489.33	14.61	-59.90
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCCC12CCCC2	REAL300018122601	0	66	0.0	-69.79	462.38	14.78	-55.01
CCC1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122602	0	62	0.0	-70.85	447.02	13.83	-57.02
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122603	0	56	0.0	-85.96	468.60	9.66	-76.30
NC1=C(F)C=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122604	0	55	0.0	-77.85	431.47	11.10	-66.75
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018122605	0	56	0.0	-78.97	447.68	13.84	-65.13
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018122606	0	55	0.0	-83.20	454.92	10.94	-72.26
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1CCC2	REAL300018122607	0	60	0.0	-75.09	459.72	14.79	-60.30
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C([N+](=O)[O-])=N1	REAL300018122608	0	55	0.0	-86.25	443.68	12.35	-73.90
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC(Cl)=CS1	REAL300018122609	0	49	0.0	-77.71	417.27	10.53	-67.18
COC1=NSC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122610	0	53	0.0	-81.09	432.82	8.89	-72.20
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018122611	0	58	0.0	-76.05	453.24	13.26	-62.79
COC1=CC=CC(Cl)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122612	0	57	0.0	-67.33	457.73	12.74	-54.59
CC1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N1C1=CC=CC=C1	REAL300018122613	0	63	0.0	-74.99	494.54	15.24	-59.75
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=NN1C	REAL300018122614	0	56	0.0	-77.57	436.02	11.18	-66.39
CCCN1N=C(C)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1C	REAL300018122615	0	65	0.0	-78.03	500.71	13.36	-64.67
CCN(CC)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1F	REAL300018122616	0	67	0.0	-80.41	514.78	14.03	-66.38
CCOC1CC([NH2+]CCCCCCCCCCCC(=O)[O-])C12CCCC2	REAL300018122617	0	67	0.0	-67.05	493.61	14.26	-52.79
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122618	0	64	0.0	-75.89	491.48	15.50	-60.39
CCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1CCC1	REAL300018122619	0	59	0.0	-70.04	431.12	13.04	-57.00
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2CCC(C2)C1	REAL300018122620	0	60	0.0	-67.15	418.12	13.84	-53.31
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCC12CCCC2	REAL300018122621	0	63	0.0	-71.05	453.12	14.41	-56.64
CCCC(C[NH2+]CCCCCCCCCCCC(=O)[O-])C1=CC=CC=C1	REAL300018122622	0	65	0.0	-77.10	492.55	15.69	-61.41
CC1CC([NH2+]CCCCCCCCCCCC(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018122623	0	69	0.0	-72.85	495.01	16.93	-55.92
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(C2CC2)O1	REAL300018122624	0	56	0.0	-78.23	444.22	10.28	-67.95
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122625	0	63	0.0	-72.93	489.81	13.95	-58.98
CC(C)(C)C1CC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122626	0	62	0.0	-72.16	456.10	13.49	-58.67
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018122627	0	55	0.0	-78.19	453.59	12.49	-65.70
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300018122628	0	57	0.0	-78.67	459.80	12.68	-65.99
COC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC2=CC=CC=C21	REAL300018122629	0	63	0.0	-80.47	489.98	14.58	-65.89
CCOC1=CN=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122630	0	59	0.0	-79.45	461.79	11.37	-68.08
CCOC1=CC(F)=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122631	0	60	0.0	-79.06	473.27	13.26	-65.80
COC1=CC=C(C(C)C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122632	0	63	0.0	-78.31	481.00	13.55	-64.76
CN1N=C(C2CC2)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122633	0	60	0.0	-82.51	467.83	12.62	-69.89
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2(CCCCC2)CC1	REAL300018122635	0	69	0.0	-73.42	482.97	14.84	-58.58
CC([NH2+]CCCCCCCCCCCC(=O)[O-])C(C)C1=CC=CC=C1	REAL300018122636	0	62	0.0	-73.88	466.04	14.64	-59.24
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018122637	0	61	0.0	-82.10	468.65	14.04	-68.06
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122638	0	68	0.0	-74.64	508.19	13.63	-61.01
COC1=CC=CC2=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=CC=C12	REAL300018122639	0	63	0.0	-79.75	484.85	14.46	-65.29
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=NN1CC1CC1	REAL300018122640	0	60	0.0	-79.74	464.95	13.03	-66.71
CC(CCC1=CC=CN=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122641	0	61	0.0	-78.03	467.30	13.31	-64.72
CC(C)C1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122642	0	62	0.0	-74.46	475.73	14.89	-59.57
CN1N=CN=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122643	0	52	0.0	-82.96	411.66	11.23	-71.73
NS(=O)(=O)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])O1	REAL300018122644	0	55	0.0	-86.64	452.92	6.10	-80.54
O=C([O-])CCCCCCCCCCC[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018122645	0	64	0.0	-78.84	494.37	16.00	-62.84
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2(CCOCC2)CC1	REAL300018122646	0	67	0.0	-76.43	474.47	12.48	-63.95
COC1=CN=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1C	REAL300018122647	0	59	0.0	-79.71	454.75	11.08	-68.63
NC1=C(Cl)C=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122648	0	55	0.0	-76.78	440.39	11.58	-65.20
CCC1=CNC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122649	0	56	0.0	-77.26	438.28	11.03	-66.23
O=C([O-])CCCCCCCCCCC[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018122650	0	56	0.0	-78.61	457.19	14.22	-64.39
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018122651	0	55	0.0	-81.87	438.11	11.76	-70.11
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018122652	0	53	0.0	-80.37	446.37	13.28	-67.09
CC1=C2C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])NC2=CC=C1	REAL300018122653	0	60	0.0	-80.16	468.34	13.55	-66.61
CCOC1CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122654	0	63	0.0	-71.26	466.63	12.46	-58.80
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018122655	0	53	0.0	-80.86	446.13	13.11	-67.75
CCCOC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C1	REAL300018122656	0	66	0.0	-76.95	503.13	14.63	-62.32
CC1=C(C)NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122657	0	56	0.0	-77.07	436.60	10.82	-66.25
CC1=CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122658	0	57	0.0	-72.80	427.50	12.92	-59.88
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1OC1CC1	REAL300018122659	0	65	0.0	-83.23	505.29	13.84	-69.39
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2(CCCC2)CC1	REAL300018122660	0	66	0.0	-73.01	472.32	14.50	-58.51
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018122661	0	55	0.0	-83.41	444.92	12.05	-71.36
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018122662	0	63	0.0	-75.95	466.62	14.95	-61.00
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC=C(Br)S1	REAL300018122663	0	49	0.0	-76.65	421.99	10.84	-65.81
CCC1(C)CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122664	0	65	0.0	-72.67	462.60	13.71	-58.96
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018122665	0	63	0.0	-75.97	466.81	14.98	-60.99
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C(F)F)=N1	REAL300018122666	0	56	0.0	-73.84	447.62	11.64	-62.20
CC([NH2+]CCCCCCCCCCCC(=O)[O-])C1CCCCCC1	REAL300018122667	0	65	0.0	-72.12	459.48	14.02	-58.10
CC([NH2+]CCCCCCCCCCCC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018122668	0	65	0.0	-72.01	500.95	15.32	-56.69
CCC1(CC)CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122669	0	68	0.0	-72.67	476.73	14.23	-58.44
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018122670	0	61	0.0	-77.44	462.34	12.94	-64.50
O=C([O-])CCCCCCCCCCC[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018122671	0	60	0.0	-77.26	465.70	14.89	-62.37
CC(CC1=COC2=CC=CC=C12)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122672	0	62	0.0	-75.46	479.15	14.66	-60.80
NS(=O)(=O)C1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122673	0	58	0.0	-86.07	469.73	7.91	-78.16
CCCN1N=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122674	0	59	0.0	-80.42	454.72	12.24	-68.18
CC1=CC=C2C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])NC2=C1	REAL300018122675	0	60	0.0	-79.84	468.76	13.57	-66.27
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2CCCN2N=C1	REAL300018122676	0	57	0.0	-78.45	441.98	11.57	-66.88
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN2CCCC2=C1	REAL300018122677	0	57	0.0	-73.82	442.06	11.48	-62.34
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018122678	0	52	0.0	-79.38	440.86	11.29	-68.09
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300018122679	0	57	0.0	-77.98	459.84	12.69	-65.29
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122680	0	61	0.0	-87.78	472.18	14.51	-73.27
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018122681	0	69	0.0	-74.94	504.11	16.26	-58.68
CC(C)C1CCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122682	0	62	0.0	-72.02	457.17	13.74	-58.28
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018122683	0	55	0.0	-82.40	438.16	10.45	-71.95
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCC1C1=CC=C(Cl)C=C1	REAL300018122684	0	63	0.0	-71.86	484.82	16.16	-55.70
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1N1C=NC=N1	REAL300018122685	0	62	0.0	-86.69	489.89	16.50	-70.19
CC1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122686	0	62	0.0	-72.31	445.93	13.35	-58.96
CCC1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122687	0	65	0.0	-72.38	464.45	13.99	-58.39
CC1(C)CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122688	0	65	0.0	-73.49	455.25	13.56	-59.93
CC(C)(C)C1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC1	REAL300018122689	0	71	0.0	-72.37	494.97	14.83	-57.54
CC1CC([NH2+]CCCCCCCCCCCC(=O)[O-])CCN1C	REAL300018122690	1	61	0.0	-72.62	447.51	10.40	-62.22
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018122691	0	56	0.0	-80.78	449.80	13.56	-67.22
CC([NH2+]CCCCCCCCCCCC(=O)[O-])C1CCCO1	REAL300018122692	0	57	0.0	-69.10	425.08	10.77	-58.33
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018122693	0	60	0.0	-82.21	479.88	13.51	-68.70
COCC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122694	0	60	0.0	-75.92	470.57	12.69	-63.23
CN(C)CC1=NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CS1	REAL300018122695	0	60	0.0	-73.26	478.06	9.66	-63.60
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C(OC(F)F)C=C1C	REAL300018122696	0	63	0.0	-75.78	492.48	13.84	-61.94
CC1=CC=C(CC[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122697	0	59	0.0	-76.04	458.42	14.42	-61.62
CCCCC(C)C(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122698	0	64	0.0	-70.66	466.48	13.87	-56.79
COC1=CC(C)=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1OC	REAL300018122699	0	64	0.0	-80.88	489.04	12.78	-68.10
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC=C1C1CC1	REAL300018122700	0	60	0.0	-74.28	458.54	14.98	-59.30
O=C([O-])CCCCCCCCCCC[NH2+]CCC1=CC=C(F)C=C1F	REAL300018122701	0	56	0.0	-79.15	448.88	13.85	-65.30
CC1=CC(C)=CC(CC[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122702	0	62	0.0	-76.24	479.83	15.07	-61.17
CC(CCC1=CSC=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122703	0	59	0.0	-74.99	462.45	14.03	-60.96
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300018122704	0	57	0.0	-77.44	462.36	11.83	-65.61
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018122705	0	59	0.0	-83.16	471.69	11.21	-71.95
CC(CC1=CN(C)N=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122706	0	59	0.0	-75.52	453.60	12.03	-63.49
CN1N=CC2=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CN=C21	REAL300018122707	0	58	0.0	-87.03	459.81	12.10	-74.93
CC(CCC1=CC=C(F)C=C1F)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122708	0	62	0.0	-79.13	484.34	15.21	-63.92
COCC(CC1CCOCC1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122709	0	67	0.0	-73.98	493.75	11.18	-62.80
CN1C=C(CCC[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122710	0	59	0.0	-79.10	461.33	12.31	-66.79
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCC1C1=CC=CC=C1Cl	REAL300018122711	0	63	0.0	-68.76	481.58	16.07	-52.69
CC1CCC2=C(C1)SC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N2	REAL300018122712	0	62	0.0	-73.65	484.82	13.33	-60.32
CCC1=CN=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])S1	REAL300018122713	0	55	0.0	-73.58	443.69	11.69	-61.89
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(F)N=C1	REAL300018122714	0	52	0.0	-85.08	416.77	11.13	-73.95
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300018122715	0	68	0.0	-71.37	509.29	15.02	-56.35
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2COCCC2C1	REAL300018122716	0	64	0.0	-75.64	467.15	12.30	-63.34
CC1(C)CC2(CC([NH2+]CCCCCCCCCCCC(=O)[O-])C2)CO1	REAL300018122717	0	64	0.0	-76.46	479.53	12.52	-63.94
CC1CC2(CC([NH2+]CCCCCCCCCCCC(=O)[O-])C2)CO1	REAL300018122718	0	61	0.0	-76.36	459.19	11.86	-64.50
O=C([O-])CCCCCCCCCCC[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018122719	0	61	0.0	-77.48	460.11	13.23	-64.25
O=C([O-])CCCCCCCCCCC[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018122720	0	60	0.0	-76.44	459.35	14.17	-62.27
CN1C=NC2=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C21	REAL300018122721	0	59	0.0	-83.97	453.91	14.21	-69.76
COC1=CC=C(C)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122722	0	60	0.0	-75.32	459.83	12.88	-62.44
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NOC(C2CCC2)=C1	REAL300018122723	0	59	0.0	-75.01	460.66	13.22	-61.79
CC1(C2=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=NO2)CC1	REAL300018122724	0	59	0.0	-75.30	463.09	13.12	-62.18
CCC1=CC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122725	0	59	0.0	-73.79	448.98	14.25	-59.54
CC1=CC(F)=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122726	0	56	0.0	-78.65	443.33	13.70	-64.95
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C1C	REAL300018122727	0	62	0.0	-73.79	465.06	14.70	-59.09
CC(C)(C)C1=CC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122728	0	65	0.0	-70.85	468.72	15.15	-55.70
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C2CCCCCN12	REAL300018122729	0	63	0.0	-80.27	471.52	13.36	-66.91
COC1=CC=C2SC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC2=C1	REAL300018122730	0	60	0.0	-78.22	482.44	13.80	-64.42
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CON=C1C1CC1	REAL300018122731	0	56	0.0	-82.28	443.66	12.58	-69.70
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018122732	0	59	0.0	-84.47	470.47	14.13	-70.34
CCN1CCC2=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C21	REAL300018122733	0	65	0.0	-76.67	494.80	13.59	-63.08
CC1(C)CC2(CO1)CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC2	REAL300018122734	0	70	0.0	-75.83	505.26	13.41	-62.42
CSC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1Cl	REAL300018122735	0	57	0.0	-81.06	470.73	14.44	-66.62
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1C1CC1	REAL300018122736	0	63	0.0	-74.83	482.53	15.59	-59.24
COC1=CC=CC2=C1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])C2	REAL300018122737	0	67	0.0	-78.08	494.69	14.36	-63.72
CCOC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=N1	REAL300018122738	0	59	0.0	-80.86	464.45	10.61	-70.25
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1C1CC1	REAL300018122739	0	63	0.0	-75.09	482.54	15.59	-59.50
CC1=NN(C2=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C2)C=C1	REAL300018122740	0	66	0.0	-84.13	511.20	15.29	-68.84
CC(C)CC1CCCC1[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122741	0	65	0.0	-71.54	471.36	14.76	-56.78
O=C([O-])CCCCCCCCCCC[NH2+]C1CC(C2CCC2)C1	REAL300018122742	0	60	0.0	-71.96	452.17	13.98	-57.98
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018122743	0	63	0.0	-80.43	487.78	9.43	-71.00
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NOC(C2CC2)=C1	REAL300018122744	0	56	0.0	-75.27	444.08	12.70	-62.57
CC1OC2=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C2C1C	REAL300018122745	0	64	0.0	-79.37	488.91	14.07	-65.30
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1OC(F)F	REAL300018122746	0	60	0.0	-75.81	474.84	13.29	-62.52
CC(C)C1=CC=C(O)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122747	0	63	0.0	-72.87	484.33	12.18	-60.69
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])NN=C1C(F)(F)F	REAL300018122748	0	56	0.0	-86.85	453.22	10.92	-75.93
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2(CCC2)CC1	REAL300018122749	0	63	0.0	-72.61	458.23	14.00	-58.61
CC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1O	REAL300018122750	0	57	0.0	-76.79	446.60	10.87	-65.92
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC(C2CC2)=CS1	REAL300018122751	0	56	0.0	-74.43	451.14	12.18	-62.25
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018122752	0	59	0.0	-79.98	465.04	11.87	-68.11
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2CCOC2=C1	REAL300018122753	0	58	0.0	-77.39	451.36	12.81	-64.58
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018122754	0	60	0.0	-77.17	458.46	12.04	-65.13
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2COCCC2=C1	REAL300018122755	0	61	0.0	-77.50	469.22	13.06	-64.44
CC1=CC=CC(F)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122756	0	56	0.0	-72.13	437.82	13.51	-58.62
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC=C1C1CCC1	REAL300018122757	0	63	0.0	-74.70	474.92	15.43	-59.27
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2CCOCC2)=N1	REAL300018122758	0	67	0.0	-83.17	513.29	12.12	-71.05
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018122759	0	61	0.0	-83.37	479.79	12.82	-70.55
O=C([O-])CCCCCCCCCCC[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018122760	0	67	0.0	-75.33	518.55	14.96	-60.37
CSC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122761	0	57	0.0	-75.92	455.72	13.98	-61.94
CC(C)(C)N1N=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122762	0	62	0.0	-79.46	462.43	12.60	-66.86
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018122763	0	60	0.0	-79.97	469.53	15.02	-64.95
CC1(C)C2CC([NH2+]CCCCCCCCCCCC(=O)[O-])CC21	REAL300018122764	0	60	0.0	-71.95	440.95	13.51	-58.44
CC(C)C1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N(C)N=C1	REAL300018122765	0	62	0.0	-81.86	477.64	12.46	-69.40
CCC([NH2+]CCCCCCCCCCCC(=O)[O-])C(C)CC1=CC=CC=C1	REAL300018122766	0	68	0.0	-73.10	500.22	16.08	-57.02
CCN1C=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122767	0	56	0.0	-72.94	439.91	11.55	-61.39
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018122768	0	60	0.0	-73.37	480.70	15.22	-58.15
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018122769	0	61	0.0	-78.27	476.05	13.94	-64.33
CC1=NC=CN1C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C1	REAL300018122770	0	66	0.0	-85.82	510.70	15.98	-69.84
CC1=C(C)N(C2=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C2)C=N1	REAL300018122771	0	66	0.0	-86.16	513.23	16.58	-69.58
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018122772	0	67	0.0	-75.70	510.48	17.00	-58.70
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])OC2=CC=C(F)C=C12	REAL300018122774	0	59	0.0	-80.51	470.22	14.19	-66.32
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122775	0	59	0.0	-70.24	469.62	15.10	-55.14
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122776	0	63	0.0	-84.97	495.58	14.09	-70.88
CCCN1C=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122777	0	59	0.0	-72.78	461.41	12.31	-60.47
CC(C)N1C=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122778	0	59	0.0	-72.49	458.57	12.05	-60.44
CC(C)(C)C1=CN=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122779	0	64	0.0	-78.91	486.90	13.47	-65.44
CCC(CC)C(C)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122780	0	61	0.0	-68.93	437.36	13.42	-55.51
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018122781	0	56	0.0	-77.23	457.79	12.04	-65.19
CN1C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=NC2=C1CCCC2	REAL300018122782	0	63	0.0	-77.64	478.23	13.64	-64.00
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C(F)(F)F)=N1	REAL300018122783	0	56	0.0	-78.29	453.95	11.81	-66.48
CC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122784	0	55	0.0	-73.28	432.07	11.76	-61.52
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018122785	0	58	0.0	-74.01	456.66	13.40	-60.61
COC1=NC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CC=C1C	REAL300018122786	0	59	0.0	-76.24	462.81	10.36	-65.88
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018122787	0	56	0.0	-77.06	454.10	13.91	-63.15
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1COCC2	REAL300018122788	0	61	0.0	-77.35	462.24	12.96	-64.39
CCOC1=CC=C(Cl)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122789	0	60	0.0	-72.29	482.24	13.77	-58.52
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300018122790	0	60	0.0	-82.05	477.87	12.89	-69.16
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018122791	0	60	0.0	-74.41	459.78	13.80	-60.61
CCC(C)N1N=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122792	0	62	0.0	-81.40	476.82	12.75	-68.65
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018122793	0	66	0.0	-77.17	500.16	14.02	-63.15
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2CCCCC2C1	REAL300018122794	0	63	0.0	-72.80	459.94	14.21	-58.59
COC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=CC=C1C(C)(C)C	REAL300018122795	0	69	0.0	-71.87	508.86	14.70	-57.17
CN1C=C(Br)N=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122796	0	53	0.0	-81.25	436.87	11.84	-69.41
COC1=CC(C)=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122797	0	59	0.0	-81.00	458.55	10.23	-70.77
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018122798	0	55	0.0	-76.05	447.17	12.42	-63.63
COC1=CC=CC(C2CC([NH2+]CCCCCCCCCCCC(=O)[O-])C2)=C1	REAL300018122799	0	64	0.0	-77.61	487.82	14.06	-63.55
CC1=NOC(C2CC([NH2+]CCCCCCCCCCCC(=O)[O-])C2)=N1	REAL300018122800	0	58	0.0	-82.02	454.56	10.47	-71.55
O=C([O-])CCCCCCCCCCC[NH2+]C1CC(C2CCOCC2)C1	REAL300018122801	0	64	0.0	-75.27	476.80	12.71	-62.56
CCCN1C=NC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122802	0	59	0.0	-78.12	453.78	13.86	-64.26
O=C([O-])CCCCCCCCCCC[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018122803	0	60	0.0	-82.90	472.61	12.92	-69.98
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018122804	0	66	0.0	-74.19	506.62	16.49	-57.70
COC1=CC=C(CC(C)[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C1	REAL300018122805	0	66	0.0	-74.44	495.82	14.01	-60.43
CCC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=NN1CC	REAL300018122806	0	62	0.0	-75.88	474.87	12.89	-62.99
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C(F)(F)F)=CO1	REAL300018122807	0	56	0.0	-73.91	454.85	12.76	-61.15
CC(F)(F)C1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122808	0	59	0.0	-78.26	468.71	14.49	-63.77
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018122809	0	59	0.0	-81.44	478.43	13.75	-67.69
CN1C=C(C2=NNC=C2C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122810	0	60	0.0	-78.37	475.84	10.67	-67.70
COC1=CC=C(CCC(C)[NH2+]CCCCCCCCCCCC(=O)[O-])C(C)=C1	REAL300018122811	0	69	0.0	-78.57	517.33	14.85	-63.72
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2CCCCCC2C1	REAL300018122812	0	66	0.0	-72.98	467.31	14.52	-58.46
CC1CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC2=CC=CC=C21	REAL300018122813	0	66	0.0	-77.04	476.99	15.23	-61.81
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018122814	0	60	0.0	-77.59	481.07	15.39	-62.20
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018122815	0	59	0.0	-80.24	473.18	15.61	-64.63
C=CCC1=CC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122816	0	60	0.0	-74.68	462.64	14.84	-59.84
COCC1=CC=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122817	0	60	0.0	-77.33	461.94	12.82	-64.51
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018122818	0	61	0.0	-77.47	469.21	13.06	-64.41
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])SC2=CC(F)=CC=C12	REAL300018122819	0	59	0.0	-78.99	476.05	15.10	-63.89
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018122820	0	59	0.0	-87.20	470.12	11.14	-76.06
COC1=CC=C(F)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1OC	REAL300018122821	0	61	0.0	-70.53	480.92	12.29	-58.24
O=C([O-])CCCCCCCCCCC[NH2+]CC=CC1=CC=NC=C1	REAL300018122822	0	56	0.0	-81.17	441.56	12.51	-68.66
CCN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2CC2)=N1	REAL300018122823	0	63	0.0	-78.26	492.19	13.78	-64.48
CCC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])N=C1	REAL300018122824	0	58	0.0	-73.03	453.40	12.56	-60.47
COC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1OCCO	REAL300018122825	0	65	0.0	-84.37	507.48	10.00	-74.37
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2=CC=NN2C)=N1	REAL300018122826	0	63	0.0	-79.54	500.23	11.90	-67.64
CC(C)(C)C1=NOC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122827	0	61	0.0	-84.78	463.10	12.73	-72.05
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018122828	0	58	0.0	-83.15	456.51	13.45	-69.70
CC1=CC2=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C2O1	REAL300018122829	0	59	0.0	-74.22	464.75	14.12	-60.10
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300018122830	0	56	0.0	-82.25	449.35	14.07	-68.18
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CON=C1C1CCC1	REAL300018122831	0	59	0.0	-82.52	460.21	13.05	-69.47
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018122832	0	56	0.0	-79.49	459.80	14.00	-65.49
CC(C)OC1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1F	REAL300018122833	0	63	0.0	-82.55	491.01	13.89	-68.66
CC1=NN(C2CCCC2)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1	REAL300018122834	0	66	0.0	-82.64	503.60	14.05	-68.59
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=NN1CC(F)F	REAL300018122835	0	56	0.0	-86.98	446.40	11.76	-75.22
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018122837	0	60	0.0	-80.78	480.74	14.25	-66.53
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018122838	0	60	0.0	-72.91	461.61	12.55	-60.36
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018122839	0	56	0.0	-76.30	451.75	11.87	-64.43
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018122840	0	57	0.0	-77.05	461.42	12.41	-64.64
CC1=CN(C)C(C[NH2+]CCCCCCCCCCCC(=O)[O-])=N1	REAL300018122841	0	56	0.0	-77.69	437.08	11.93	-65.76
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2CCCC(C2)C1	REAL300018122842	0	63	0.0	-72.80	449.20	13.76	-59.04
O=C([O-])CCCCCCCCCCC[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018122843	0	63	0.0	-72.32	481.27	13.33	-58.99
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018122844	0	56	0.0	-80.02	449.27	13.36	-66.66
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018122845	0	56	0.0	-76.31	459.58	13.80	-62.51
O=C([O-])CCCCCCCCCCC[NH2+]CC=CC1=CC=CC=C1	REAL300018122846	0	57	0.0	-76.29	446.55	14.27	-62.02
COC1=CC=C2SC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=NC2=C1	REAL300018122847	0	59	0.0	-78.55	476.69	11.70	-66.85
CN1N=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1C1=CC=CO1	REAL300018122848	0	60	0.0	-77.08	477.13	12.29	-64.79
O=C([O-])CCCCCCCCCCC[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300018122849	0	56	0.0	-71.21	455.58	12.04	-59.17
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018122850	0	69	0.0	-74.30	517.36	16.78	-57.52
CC1=NN(C2CCC2)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122851	0	63	0.0	-78.10	483.25	13.34	-64.76
COC1=CC=CC=C1C=CC[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122852	0	61	0.0	-76.15	474.92	13.62	-62.53
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018122853	0	61	0.0	-83.22	484.69	13.31	-69.91
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122854	0	60	0.0	-86.02	478.81	12.22	-73.80
CC(C)(C)N1CCCC([NH2+]CCCCCCCCCCCC(=O)[O-])C1	REAL300018122855	0	67	0.0	-71.96	478.72	11.47	-60.49
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018122856	0	66	0.0	-75.87	518.30	17.43	-58.44
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018122857	0	62	0.0	-75.78	485.10	14.57	-61.21
CC1=CC=C(C2CCC([NH2+]CCCCCCCCCCCC(=O)[O-])CC2)C=C1	REAL300018122858	0	69	0.0	-75.46	513.04	16.48	-58.98
COC1=CC(C)=CC(OC)=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122859	0	64	0.0	-66.74	493.22	12.34	-54.40
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(CF)C=C1	REAL300018122860	0	56	0.0	-77.42	443.49	13.79	-63.63
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018122861	0	56	0.0	-79.89	452.43	14.34	-65.55
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018122862	0	62	0.0	-81.20	484.92	14.63	-66.57
CC(CC1=CN(C)N=C1)[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122863	0	59	0.0	-75.52	453.60	12.03	-63.49
O=C([O-])CCCCCCCCCCC[NH2+]C1CC2CC=CCC2C1	REAL300018122864	0	61	0.0	-74.15	450.75	14.09	-60.06
CC1=CC=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1C(F)(F)F	REAL300018122865	0	59	0.0	-76.62	460.35	14.58	-62.04
C=CCN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=N1	REAL300018122866	0	57	0.0	-77.96	452.65	12.20	-65.76
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018122867	0	56	0.0	-79.76	441.75	11.68	-68.08
CCC(C)C1=CC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=C1	REAL300018122868	0	65	0.0	-74.25	494.17	15.56	-58.69
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC2(C1)CCOCC2	REAL300018122869	0	64	0.0	-76.48	465.75	12.22	-64.26
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122870	0	66	0.0	-79.08	514.99	15.49	-63.59
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018122871	0	63	0.0	-75.47	470.90	15.33	-60.14
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122872	0	60	0.0	-80.50	476.00	14.87	-65.63
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018122873	0	59	0.0	-89.54	467.87	12.88	-76.66
CC1=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C=CC2=CC=CC=C21	REAL300018122874	0	62	0.0	-77.22	472.48	15.72	-61.50
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122875	0	71	0.0	-77.61	540.69	14.62	-62.99
COC1=C2C=CNC2=CC=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122876	0	61	0.0	-73.89	476.44	12.39	-61.50
O=C([O-])CCCCCCCCCCC[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018122877	0	66	0.0	-77.25	503.11	9.97	-67.28
CCCN1N=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=C1C	REAL300018122878	0	62	0.0	-77.39	480.18	12.82	-64.57
CC1=CC(C[NH2+]CCCCCCCCCCCC(=O)[O-])=CN=C1N1C=CC=N1	REAL300018122879	0	62	0.0	-85.81	487.64	14.31	-71.50
O=C([O-])CCCCCCCCCCC[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018122880	0	63	0.0	-75.41	479.11	15.86	-59.55
CCCN1N=C(C)C=C1C[NH2+]CCCCCCCCCCCC(=O)[O-]	REAL300018122881	0	62	0.0	-82.00	481.46	12.78	-69.22
CN1C=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])C(C2CCC2)=N1	REAL300018122882	0	63	0.0	-79.24	486.67	13.37	-65.87
CC(C)(C)C1=NC=C(C[NH2+]CCCCCCCCCCCC(=O)[O-])O1	REAL300018122883	0	61	0.0	-77.76	474.70	10.46	-67.30
COC1=CC=C(OC2=CC=C(C[N@@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300018122887	1	49	0.0	-61.39	381.88	10.08	-51.31
COC1=CC=C(OC2=CC=C(C[N@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300018122887	1	49	0.0	-49.23	381.71	9.96	-39.27
C[C@@H]1C[N@H+](CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122896	0	53	0.0	-44.88	400.65	11.31	-33.57
C[C@@H]1C[N@@H+](CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122896	1	53	0.0	-57.88	400.71	11.44	-46.44
COCCOCC1=CC=C(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300018122899	1	48	0.0	-58.14	374.18	7.89	-50.25
COCCOCC1=CC=C(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)C=C1	REAL300018122899	1	48	0.0	-45.51	374.08	7.78	-37.73
C[C@@H]1C[N@H+](CC2=CC=C(C3CCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122901	0	47	0.0	-41.76	347.76	11.03	-30.73
C[C@@H]1C[N@@H+](CC2=CC=C(C3CCCC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122901	1	47	0.0	-53.89	347.91	11.15	-42.74
C[C@@H]1C[N@H+](CC2=CC=CC=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])O1	REAL300018122902	0	44	0.0	-46.15	338.36	8.75	-37.40
C[C@@H]1C[N@@H+](CC2=CC=CC=C2C2=CC=NN2C)C[C@@H](C(=O)[O-])O1	REAL300018122902	1	44	0.0	-48.91	337.27	8.83	-40.08
CC1CN(C2=CC=CC=C2C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1	REAL300018122904	1	50	0.0	-49.18	369.52	8.47	-40.71
CC1CN(C2=CC=CC=C2C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)CCO1	REAL300018122904	1	50	0.0	-40.54	369.63	8.32	-32.22
CC1=CC=CC=C1C1=CC=CC=C1C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122906	0	47	0.0	-35.83	351.31	11.77	-24.06
CC1=CC=CC=C1C1=CC=CC=C1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122906	1	47	0.0	-45.95	354.16	11.82	-34.13
CC1=CC(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300018122908	1	40	0.0	-47.38	317.94	9.33	-38.05
CC1=CC(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)=CC=C1C(F)(F)F	REAL300018122908	1	40	0.0	-60.06	318.08	9.44	-50.62
COC1=CC=C(C2=CC(C[N@@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300018122911	1	50	0.0	-66.05	397.60	6.97	-59.08
COC1=CC=C(C2=CC(C[N@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC3=C2OCO3)C=N1	REAL300018122911	1	50	0.0	-53.49	397.41	6.84	-46.65
CCCCOC1=CC=CC=C1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122912	1	47	0.0	-47.67	357.72	9.85	-37.82
CCCCOC1=CC=CC=C1C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122912	1	47	0.0	-37.90	351.89	9.88	-28.02
C[C@@H]1C[N@H+](CC2=CC=C(C3=CC=C(F)C=C3)O2)C[C@@H](C(=O)[O-])O1	REAL300018122916	1	41	0.0	-47.33	330.84	9.82	-37.51
C[C@@H]1C[N@@H+](CC2=CC=C(C3=CC=C(F)C=C3)O2)C[C@@H](C(=O)[O-])O1	REAL300018122916	1	41	0.0	-60.25	331.93	10.03	-50.22
C[C@@H]1C[N@H+](CC2=CC=C(N3C=CC=N3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122919	0	41	0.0	-49.72	321.88	9.02	-40.70
C[C@@H]1C[N@@H+](CC2=CC=C(N3C=CC=N3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122919	1	41	0.0	-60.14	322.12	9.15	-50.99
C[C@@H]1C[N@H+](CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122928	0	43	0.0	-46.69	335.31	9.69	-37.00
C[C@@H]1C[N@@H+](CC2=CC=CC(C3=CC=CC=N3)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122928	1	43	0.0	-60.77	335.34	9.82	-50.95
COC1=CC=C2OC(C[N@@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC2=C1	REAL300018122933	1	41	0.0	-61.50	322.61	7.90	-53.60
COC1=CC=C2OC(C[N@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)=CC2=C1	REAL300018122933	1	41	0.0	-49.73	321.45	7.68	-42.05
C[C@@H]1C[N@H+](CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122938	1	48	0.0	-45.77	381.27	11.16	-34.61
C[C@@H]1C[N@@H+](CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122938	1	48	0.0	-55.17	381.31	11.28	-43.89
C[C@@H]1C[N@H+](CCCCC2=CC=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122950	0	46	0.0	-41.91	368.11	11.25	-30.66
C[C@@H]1C[N@@H+](CCCCC2=CC=CC(C(F)(F)F)=C2)C[C@@H](C(=O)[O-])O1	REAL300018122950	1	46	0.0	-56.46	367.93	11.34	-45.12
COC1=CC=C(C2=CC=NC=C2)C=C1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122951	1	47	0.0	-54.18	362.15	9.00	-45.18
COC1=CC=C(C2=CC=NC=C2)C=C1C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122951	1	47	0.0	-43.56	356.31	9.03	-34.53
C[C@@H]1C[N@H+](CCCC2=CC=C3OCCC3=C2)C[C@@H](C(=O)[O-])O1	REAL300018122953	0	45	0.0	-46.67	343.46	9.29	-37.38
C[C@@H]1C[N@@H+](CCCC2=CC=C3OCCC3=C2)C[C@@H](C(=O)[O-])O1	REAL300018122953	1	45	0.0	-59.38	343.51	9.40	-49.98
CC1=NC2=CC=C(C[N@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300018122957	0	42	0.0	-51.04	326.15	8.78	-42.26
CC1=NC2=CC=C(C[N@@H+]3C[C@@H](C)O[C@H](C(=O)[O-])C3)C=C2C=C1	REAL300018122957	1	42	0.0	-64.26	326.27	8.91	-55.35
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122959	0	40	0.0	-47.75	318.79	9.48	-38.27
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122959	1	40	0.0	-58.05	318.55	9.59	-48.46
C[C@@H]1C[N@H+](CC2=CC=C(OCC3CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122964	1	45	0.0	-45.51	346.61	9.63	-35.88
C[C@@H]1C[N@@H+](CC2=CC=C(OCC3CC3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122964	1	45	0.0	-56.19	346.79	9.75	-46.44
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122973	1	48	0.0	-50.86	366.92	10.77	-40.09
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	REAL300018122973	1	48	0.0	-41.59	361.24	10.80	-30.79
C[C@@H]1C[N@H+](CC2=CC=C(SC(F)F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122974	1	38	0.0	-46.90	313.34	9.08	-37.82
C[C@@H]1C[N@@H+](CC2=CC=C(SC(F)F)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122974	1	38	0.0	-59.81	313.49	9.20	-50.61
C[C@@H]1C[N@H+](CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122977	1	45	0.0	-48.31	358.64	10.73	-37.58
C[C@@H]1C[N@@H+](CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122977	1	45	0.0	-59.63	360.45	10.92	-48.71
C[C@@H]1C[N@H+](CCC2=CC=C(C(C)(C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122978	0	49	0.0	-39.00	362.26	11.00	-28.00
C[C@@H]1C[N@@H+](CCC2=CC=C(C(C)(C)C)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122978	1	49	0.0	-52.58	362.40	11.10	-41.48
C[C@@H]1C[N@H+](CC2(C3=CC=CC=C3)CCOC2)C[C@@H](C(=O)[O-])O1	REAL300018122984	0	45	0.0	-43.04	313.53	8.99	-34.05
C[C@@H]1C[N@@H+](CC2(C3=CC=CC=C3)CCOC2)C[C@@H](C(=O)[O-])O1	REAL300018122984	1	45	0.0	-52.89	322.87	8.04	-44.85
C[C@@H]1C[N@H+](CC2=CC=C(OCCCCl)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122985	1	44	0.0	-45.61	353.54	9.47	-36.14
C[C@@H]1C[N@@H+](CC2=CC=C(OCCCCl)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122985	1	44	0.0	-56.70	353.69	9.58	-47.12
C[C@@H]1C[N@H+](CC2=CC=C(C3=CN(C)N=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122986	0	44	0.0	-47.75	343.70	9.13	-38.62
C[C@@H]1C[N@@H+](CC2=CC=C(C3=CN(C)N=C3)C=C2)C[C@@H](C(=O)[O-])O1	REAL300018122986	1	44	0.0	-58.73	343.87	9.25	-49.48
C[C@@H]1C[N@H+](CC2CCC(C3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300018122992	0	50	0.0	-42.69	362.44	11.69	-31.00
C[C@@H]1C[N@@H+](CC2CCC(C3=CC=CC=C3)CC2)C[C@@H](C(=O)[O-])O1	REAL300018122992	1	50	0.0	-52.56	355.45	11.56	-41.00
C[C@@H]1C[N@H+](CC(CC2=CC=CC=C2)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122993	0	53	0.0	-45.90	396.00	13.52	-32.38
C[C@@H]1C[N@@H+](CC(CC2=CC=CC=C2)CC2=CC=CC=C2)C[C@@H](C(=O)[O-])O1	REAL300018122993	1	53	0.0	-55.36	389.77	13.49	-41.87
C[C@@H]1C[N@H+](CC2=CC=C(C3=CN(C)N=C3)S2)C[C@@H](C(=O)[O-])O1	REAL300018122995	1	41	0.0	-47.09	338.10	8.56	-38.53
C[C@@H]1C[N@@H+](CC2=CC=C(C3=CN(C)N=C3)S2)C[C@@H](C(=O)[O-])O1	REAL300018122995	1	41	0.0	-58.95	337.73	8.67	-50.28
CC1=CC=C(C[N@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(C2=CC=NN2C)=C1	REAL300018122997	0	47	0.0	-45.20	361.26	9.45	-35.75
CC1=CC=C(C[N@@H+]2C[C@@H](C)O[C@H](C(=O)[O-])C2)C(C2=CC=NN2C)=C1	REAL300018122997	1	47	0.0	-48.72	358.91	9.50	-39.22
CC(C[N@@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018122998	0	43	0.0	-55.69	339.46	10.34	-45.35
CC(C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018122998	1	43	0.0	-46.69	340.32	10.12	-36.57
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC=C(N3CCCC3)[NH+]=C2)C=C1	REAL300018128574	1	48	0.0	-70.59	380.37	9.89	-60.70
C[NH+]1CCN(C2=CC=C(CNC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=C2)CC1	REAL300018128585	0	54	0.0	-78.20	416.06	10.94	-67.26
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C=C1	REAL300018128589	0	52	0.0	-83.55	416.94	13.36	-70.19
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C=C1	REAL300018128590	0	52	0.0	-76.84	413.61	13.34	-63.50
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[NH+](CC3=CC=CC=N3)CC2)C=C1	REAL300018128591	0	51	0.0	-79.46	395.41	11.36	-68.10
C[NH+]1CCN(C2=CC=CC(Cl)=C2CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300018128597	0	54	0.0	-78.04	432.47	12.03	-66.01
CN(C1=CC=CC=C1CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300018128598	0	60	0.0	-71.73	449.60	12.80	-58.93
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300018128600	0	56	0.0	-75.05	437.46	12.63	-62.42
C[NH+](C)CCOC1=CC=C(CNC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C=C1	REAL300018128609	0	52	0.0	-76.36	412.18	11.54	-64.82
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300018128654	0	52	0.0	-77.85	400.42	12.80	-65.05
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)C1	REAL300018128654	1	52	0.0	-77.41	401.01	12.80	-64.61
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[NH+](CC3CC3)CC2)C=C1	REAL300018128656	0	49	0.0	-78.02	370.44	11.24	-66.78
CC(C)C[NH+]1CCC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300018128667	0	51	0.0	-76.46	380.28	11.36	-65.10
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1	REAL300018128675	0	51	0.0	-84.82	395.18	11.11	-73.71
CC(C)(C)[NH+]1CCC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300018128676	0	51	0.0	-73.42	370.67	10.68	-62.74
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[NH+](CCN3CCOCC3)CC2)C=C1	REAL300018128682	0	58	0.0	-81.62	429.21	8.35	-73.27
CC1CCCCC1[NH+]1CCC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC1	REAL300018128702	0	58	0.0	-75.51	413.83	12.71	-62.80
CC(C)(CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300018128740	0	49	0.0	-73.74	359.19	8.65	-65.09
CC1CC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018128834	0	55	0.0	-75.74	413.97	13.59	-62.15
CC1CC(NC2=CC=C([C@@H]3C[C@H]3C(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018128834	1	55	0.0	-76.87	400.80	13.62	-63.25
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[N@@H+]3CCCC3C2)C=C1	REAL300018128864	0	46	0.0	-73.86	346.35	10.37	-63.49
O=C([O-])[C@@H]1C[C@H]1C1=CC=C(NC2CC[N@H+]3CCCC3C2)C=C1	REAL300018128864	1	46	0.0	-72.95	343.53	10.56	-62.39
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128868	0	52	0.0	-79.27	405.47	12.81	-66.46
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128868	1	52	0.0	-79.94	404.57	12.84	-67.10
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128946	0	57	0.0	-79.11	422.17	13.73	-65.38
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C([C@@H]2C[C@H]2C(=O)[O-])C=C1	REAL300018128946	1	57	0.0	-78.98	425.92	13.88	-65.10
C[NH+]1CCN(C2=NC=C(CNC3=CC=C([C@@H]4C[C@H]4C(=O)[O-])C=C3)C=N2)CC1	REAL300018128950	1	52	0.0	-78.75	410.21	10.51	-68.24
O=C([O-])CNC(=O)C1=CC=C(NCC2=CC=C(N3CCCC3)[NH+]=C2)C=C1	REAL300018251289	1	48	0.0	-68.46	386.24	6.30	-62.16
C[NH+]1CCN(C2=CC=C(CNC3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=C2)CC1	REAL300018251302	0	54	0.0	-75.13	421.95	7.35	-67.78
O=C([O-])CNC(=O)C1=CC=C(NC2CC[NH+](CC3=CC=CC=N3)CC2)C=C1	REAL300018251306	0	51	0.0	-74.25	401.76	7.41	-66.84
O=C([O-])CNC(=O)C1=CC=C(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300018251312	0	56	0.0	-71.66	443.34	9.04	-62.62
C[NH+](C)CCOC1=CC=C(CNC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300018251319	0	52	0.0	-72.88	418.06	7.94	-64.94
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300018251363	0	52	0.0	-74.85	406.94	9.32	-65.53
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300018251363	1	52	0.0	-73.84	405.89	9.21	-64.63
O=C([O-])CNC(=O)C1=CC=C(NC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1	REAL300018251378	0	51	0.0	-84.20	400.63	7.42	-76.78
O=C([O-])CNC(=O)C1=CC=C(NC2CC[NH+](CCN3CCOCC3)CC2)C=C1	REAL300018251383	0	58	0.0	-77.93	435.72	4.80	-73.13
CC1CCCCC1[NH+]1CCC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC1	REAL300018251400	0	58	0.0	-71.53	415.99	9.17	-62.36
CC(C)(CNC1=CC=C(C(=O)NCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300018251437	1	49	0.0	-71.50	365.07	5.06	-66.44
CC1CC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018251548	0	55	0.0	-73.65	406.73	10.02	-63.63
CC1CC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018251548	1	55	0.0	-73.31	422.73	9.72	-63.59
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300018251580	0	52	0.0	-76.21	406.93	9.52	-66.69
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=C(C(=O)NCC(=O)[O-])C=C1	REAL300018251580	1	52	0.0	-76.39	409.93	9.10	-67.29
CC1CC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC[N@@H+]1C	REAL300018251629	0	45	0.0	-72.20	339.06	5.85	-66.35
CC1CC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)CC[N@H+]1C	REAL300018251629	1	45	0.0	-71.92	342.33	6.42	-65.50
C[NH+]1CCN(C2=NC=C(CNC3=CC=C(C(=O)NCC(=O)[O-])C=C3)C=N2)CC1	REAL300018251659	1	52	0.0	-75.82	416.09	6.90	-68.92
C[NH+](C)CCC1=CC=C(CNC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C=C1	REAL300018251721	0	51	0.0	-74.53	410.67	9.00	-65.53
O=C([O-])CNC(=O)C1=CC=C(NCC2=CC3=C[NH+]=CC=C3N2)C=C1	REAL300018251787	0	40	0.0	-70.66	339.87	4.90	-65.76
COC1=CC=CC(C[NH+]2CCC(NC3=CC=C(C(=O)NCC(=O)[O-])C=C3)CC2)=C1	REAL300018251797	0	56	0.0	-78.29	435.67	8.54	-69.75
CC(C)(C)[N@@H+]1CCCC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300018251808	0	51	0.0	-70.32	372.51	7.50	-62.82
CC(C)(C)[N@H+]1CCCC(NC2=CC=C(C(=O)NCC(=O)[O-])C=C2)C1	REAL300018251808	1	51	0.0	-69.43	376.30	7.04	-62.39
CC1CCCCC1C[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251838	1	51	0.0	-72.66	394.95	8.12	-64.54
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CC4CCC3C4)CC2)=C1	REAL300018251839	1	49	0.0	-72.07	388.35	8.19	-63.88
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CC=CCC3)CC2)=C1	REAL300018251854	1	46	0.0	-73.98	376.86	7.79	-66.19
CCC(CC)C[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251855	1	47	0.0	-69.65	371.57	7.19	-62.46
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CCCCC3)CC2)=C1	REAL300018251856	1	48	0.0	-72.60	384.44	7.88	-64.72
CC1CCC(C[NH+]2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)CC1	REAL300018251861	1	51	0.0	-73.22	398.22	8.27	-64.95
CC(C)(C)CC[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251862	1	47	0.0	-72.80	380.27	6.93	-65.87
CC1=CCCC(C)C1C[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251863	1	52	0.0	-70.50	405.04	8.90	-61.60
CC(C)CC(C)C[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1	REAL300018251875	1	50	0.0	-74.45	398.82	7.95	-66.50
CC1CCCC(C[NH+]2CCN(S(=O)(=O)C3=CC(C(=O)[O-])=CS3)CC2)C1	REAL300018251895	1	51	0.0	-72.95	398.24	8.27	-64.68
CC(C[NH+]1CCN(S(=O)(=O)C2=CC(C(=O)[O-])=CS2)CC1)C(C)(C)C	REAL300018251897	1	50	0.0	-74.12	390.41	7.44	-66.68
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CCC4CC4C3)CC2)=C1	REAL300018251910	1	49	0.0	-73.76	391.82	8.52	-65.24
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CC4CC4C3)CC2)=C1	REAL300018251918	1	46	0.0	-73.85	376.67	7.90	-65.95
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CC4C=CC3C4)CC2)=C1	REAL300018251940	1	47	0.0	-72.35	380.90	8.10	-64.25
O=C([O-])C1=CSC(S(=O)(=O)N2CC[NH+](CC3CCCCCC3)CC2)=C1	REAL300018251974	1	51	0.0	-72.59	395.81	8.31	-64.28
O=C([O-])COC1=CC=CC(NCC2=CC=C(N3CCCC3)[NH+]=C2)=C1	REAL300018258201	1	45	0.0	-67.33	361.01	7.99	-59.34
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC(OCC(=O)[O-])=C3)C=C2)CC1	REAL300018258209	0	51	0.0	-75.03	396.71	9.03	-66.00
O=C([O-])COC1=CC=CC(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=C1	REAL300018258213	0	49	0.0	-83.13	397.57	11.46	-71.67
O=C([O-])COC1=CC=CC(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)=C1	REAL300018258214	0	49	0.0	-76.20	394.56	11.45	-64.75
O=C([O-])COC1=CC=CC(NC2CC[NH+](CC3=CC=CC=N3)CC2)=C1	REAL300018258215	0	48	0.0	-77.55	376.46	9.11	-68.44
C[NH+]1CCN(C2=CC=CC(Cl)=C2CNC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300018258222	0	51	0.0	-73.26	413.11	10.12	-63.14
CN(C1=CC=CC=C1CNC1=CC=CC(OCC(=O)[O-])=C1)C1CC[NH+](C)CC1	REAL300018258223	0	57	0.0	-60.02	430.27	10.89	-49.13
O=C([O-])COC1=CC=CC(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)=C1	REAL300018258225	0	53	0.0	-73.63	416.38	10.91	-62.72
C[NH+](C)CCOC1=CC=C(CNC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018258234	0	49	0.0	-74.14	392.82	9.63	-64.51
O=C([O-])COC1=CC=CC(NC2CC[NH+](CC3=C(F)C=CC=C3Cl)CC2)=C1	REAL300018258279	1	49	0.0	-72.29	395.27	11.17	-61.12
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300018258280	0	49	0.0	-74.04	381.45	11.01	-63.03
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300018258280	1	49	0.0	-74.99	381.78	11.01	-63.98
O=C([O-])COC1=CC=CC(NC2CC[NH+](CC3CC3)CC2)=C1	REAL300018258282	0	46	0.0	-75.79	353.49	9.57	-66.22
CC(C)C[NH+]1CCC(NC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300018258293	0	48	0.0	-74.95	360.93	9.45	-65.50
O=C([O-])COC1=CC=CC(NC2CC[NH+](CC3=CC=NC=C3)CC2)=C1	REAL300018258302	0	48	0.0	-85.09	375.58	9.12	-75.97
CC(C)(C)[NH+]1CCC(NC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300018258303	0	48	0.0	-71.45	351.23	8.77	-62.68
O=C([O-])COC1=CC=CC(NC2CC[NH+](CCN3CCOCC3)CC2)=C1	REAL300018258309	0	55	0.0	-80.05	410.41	6.48	-73.57
CC1CCCCC1[NH+]1CCC(NC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300018258328	0	55	0.0	-73.99	391.13	10.87	-63.12
CC(C)(CNC1=CC=CC(OCC(=O)[O-])=C1)[NH+]1CCOCC1	REAL300018258358	1	46	0.0	-68.14	339.83	6.75	-61.39
CC1CC(NC2=CC=CC(OCC(=O)[O-])=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018258439	0	52	0.0	-76.03	397.63	11.42	-64.61
CC1CC(NC2=CC=CC(OCC(=O)[O-])=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018258439	1	52	0.0	-71.98	381.53	11.72	-60.26
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(OCC(=O)[O-])=C1	REAL300018258469	0	49	0.0	-76.29	382.14	11.24	-65.05
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(OCC(=O)[O-])=C1	REAL300018258469	1	49	0.0	-77.83	384.98	10.93	-66.90
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC(OCC(=O)[O-])=C1	REAL300018258538	0	54	0.0	-77.68	402.84	11.83	-65.85
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC(OCC(=O)[O-])=C1	REAL300018258538	1	54	0.0	-77.65	405.78	11.95	-65.70
C[NH+]1CCN(C2=NC=C(CNC3=CC=CC(OCC(=O)[O-])=C3)C=N2)CC1	REAL300018258542	1	49	0.0	-75.73	390.86	8.61	-67.12
C[NH+](C)CCC1=CC=C(CNC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018258598	0	48	0.0	-75.91	385.43	10.69	-65.22
COC1=CC=CC(C[NH+]2CCC(NC3=CC=CC(OCC(=O)[O-])=C3)CC2)=C1	REAL300018258676	0	53	0.0	-80.24	410.31	10.24	-70.00
CC(C)(C)[N@@H+]1CCCC(NC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300018258687	0	48	0.0	-70.24	351.06	8.74	-61.50
CC(C)(C)[N@H+]1CCCC(NC2=CC=CC(OCC(=O)[O-])=C2)C1	REAL300018258687	1	48	0.0	-67.71	347.30	9.18	-58.53
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018258717	0	43	0.0	-81.17	368.21	12.95	-68.22
CC1=C(C(=O)[O-])C=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)O1	REAL300018258718	1	43	0.0	-69.07	369.25	11.93	-57.14
O=C([O-])C1=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=CO1	REAL300018258719	1	40	0.0	-48.74	338.50	10.98	-37.76
O=C([O-])CN1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1	REAL300018258720	0	48	0.0	-66.66	380.59	10.17	-56.49
O=C([O-])C1=COC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1	REAL300018258721	1	40	0.0	-70.61	351.23	11.20	-59.41
O=C([O-])C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1	REAL300018258722	0	46	0.0	-70.84	367.37	12.31	-58.53
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)O1	REAL300018258724	1	40	0.0	-72.83	351.02	11.45	-61.38
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)O1	REAL300018258725	1	40	0.0	-72.83	351.02	11.45	-61.38
CC(C)(CC[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)C(=O)[O-]	REAL300018258726	0	45	0.0	-63.18	363.11	11.74	-51.44
O=C([O-])C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1	REAL300018258727	0	46	0.0	-70.84	367.37	12.31	-58.53
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1	REAL300018258728	0	43	0.0	-75.71	368.17	12.94	-62.77
O=C([O-])C1=NNC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1	REAL300018258729	1	40	0.0	-78.13	349.62	9.39	-68.74
O=C([O-])CCC[NH+]1CCC(NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1	REAL300018258730	0	54	0.0	-57.22	423.20	12.59	-44.63
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018258731	0	47	0.0	-79.99	399.27	13.23	-66.76
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018258732	0	47	0.0	-79.99	399.27	13.23	-66.76
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CS1	REAL300018258733	0	40	0.0	-70.00	358.70	12.01	-57.99
O=C([O-])CC1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CC1	REAL300018258734	0	49	0.0	-63.39	377.90	13.14	-50.25
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=N1	REAL300018258736	1	42	0.0	-74.48	364.04	11.12	-63.36
CC([NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1)C1CC1C(=O)[O-]	REAL300018258738	0	43	0.0	-59.68	356.65	11.97	-47.71
O=C([O-])CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258739	0	43	0.0	-67.32	349.18	11.62	-55.70
CC(OC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1)C(=O)[O-]	REAL300018258740	0	50	0.0	-81.09	417.15	13.83	-67.26
CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)CCC1C(=O)[O-]	REAL300018258741	0	49	0.0	-71.89	377.42	12.57	-59.32
O=C([O-])C=CC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)O1	REAL300018258742	1	44	0.0	-84.67	385.51	11.05	-73.62
O=C([O-])C(F)(F)C1CCCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258743	0	49	0.0	-67.82	397.21	13.11	-54.71
O=C([O-])C(F)(F)C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258744	0	46	0.0	-65.04	381.22	12.63	-52.41
CC1=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])O1	REAL300018258745	1	43	0.0	-71.86	366.81	12.00	-59.86
CC1=C(C(=O)[O-])OC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1	REAL300018258746	1	43	0.0	-73.19	368.98	12.04	-61.15
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=C1Cl	REAL300018258747	0	43	0.0	-80.78	380.68	13.33	-67.45
CC(CC(C)(C)CC(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018258748	0	51	0.0	-59.81	380.68	12.73	-47.08
CC1C(CC(=O)[O-])CCC1[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018258749	0	49	0.0	-61.73	376.25	13.17	-48.56
CC1(C(=O)[O-])CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258750	0	43	0.0	-62.23	348.89	11.37	-50.86
CN1C=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C(C(=O)[O-])=N1	REAL300018258751	1	43	0.0	-50.24	368.16	10.79	-39.45
CCC1=C(C(=O)[O-])C=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)O1	REAL300018258752	1	46	0.0	-69.51	390.73	12.71	-56.80
O=C([O-])CCCC1CCCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258753	0	55	0.0	-75.14	428.24	14.47	-60.67
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018258754	0	54	0.0	-72.05	419.96	13.85	-58.20
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)N=C1	REAL300018258755	1	42	0.0	-73.28	363.34	11.11	-62.17
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258756	0	50	0.0	-56.85	405.22	14.33	-42.52
CN1N=C(C(=O)[O-])C=C1C[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018258757	1	43	0.0	-84.36	370.03	10.62	-73.74
O=C([O-])CCC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)O1	REAL300018258758	1	46	0.0	-70.70	392.96	12.83	-57.87
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=CC=C1F	REAL300018258759	0	43	0.0	-81.87	372.72	12.97	-68.90
O=C([O-])CCC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258760	0	46	0.0	-70.69	372.04	12.47	-58.22
O=C([O-])C1=C2N=CC(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(Cl)C=C3)=CN2N=C1	REAL300018258761	1	45	0.0	-99.33	390.97	11.90	-87.43
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C=N1	REAL300018258762	0	42	0.0	-84.14	363.92	11.16	-72.98
O=C([O-])C1=CN2C(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(Cl)C=C3)=CN=C2C=C1	REAL300018258763	0	46	0.0	-61.96	395.01	13.36	-48.60
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018258764	0	45	0.0	-81.41	374.00	11.56	-69.85
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258765	0	46	0.0	-74.44	372.70	12.61	-61.83
O=C([O-])C1=CN=C2C(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(Cl)C=C3)=CC=CN12	REAL300018258766	0	46	0.0	-84.28	393.89	12.67	-71.61
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)C1	REAL300018258768	1	50	0.0	-81.23	416.02	12.84	-68.39
O=C([O-])C1=CC=C(O)C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2)=C1	REAL300018258769	0	44	0.0	-71.56	375.84	10.34	-61.22
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1	REAL300018258770	0	38	0.0	-88.14	319.17	10.24	-77.90
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258771	0	45	0.0	-67.62	375.40	12.75	-54.87
CC1=C(C(=O)[O-])C=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258772	1	38	0.0	-74.67	320.23	9.21	-65.46
O=C([O-])C1=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=CO1	REAL300018258773	0	35	0.0	-45.56	297.04	8.50	-37.06
O=C([O-])CN1CCC([NH2+]C2CCSC3=C(F)C=CC=C32)CC1	REAL300018258774	0	43	0.0	-74.00	321.44	6.80	-67.20
O=C([O-])C1=COC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258775	1	35	0.0	-76.45	302.22	8.48	-67.97
O=C([O-])C1CCC([NH2+]C2CCSC3=C(F)C=CC=C32)CC1	REAL300018258776	0	41	0.0	-62.31	298.94	9.13	-53.18
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258778	1	35	0.0	-77.87	301.98	8.74	-69.13
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258779	1	35	0.0	-77.87	301.98	8.74	-69.13
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3CCSC4=C(F)C=CC=C43)O2)C=C1	REAL300018258780	0	45	0.0	-92.50	379.14	12.09	-80.41
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3CCSC4=C(F)C=CC=C43)O2)C=C1	REAL300018258781	0	45	0.0	-92.50	379.14	12.09	-80.41
O=C([O-])C1CCC([NH2+]C2CCSC3=C(F)C=CC=C32)CC1	REAL300018258782	0	41	0.0	-62.31	298.94	9.13	-53.18
O=C([O-])C1=CC=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258783	0	38	0.0	-76.94	319.17	10.23	-66.71
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258784	0	45	0.0	-54.68	374.21	11.46	-43.22
O=C([O-])C1=NNC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258785	0	35	0.0	-84.64	300.56	6.67	-77.97
CC1=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=CC(C)=C1OCC(=O)[O-]	REAL300018258786	0	48	0.0	-91.04	394.31	12.06	-78.98
O=C([O-])CCC[NH+]1CCC(NC2CCSC3=C(F)C=CC=C32)CC1	REAL300018258787	0	49	0.0	-61.98	378.89	10.28	-51.70
O=C([O-])CCCN1CCC([NH2+]C2CCSC3=C(F)C=CC=C32)CC1	REAL300018258787	1	49	0.0	-79.38	364.72	8.16	-71.22
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258788	0	47	0.0	-79.40	382.46	9.94	-69.46
O=C([O-])COC1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1	REAL300018258789	0	42	0.0	-86.84	350.23	10.52	-76.32
O=C([O-])COC1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1	REAL300018258790	0	42	0.0	-86.84	350.23	10.52	-76.32
O=C([O-])C1=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=CS1	REAL300018258791	0	35	0.0	-78.75	309.70	9.29	-69.46
O=C([O-])CC1CCC([NH2+]C2CCSC3=C(F)C=CC=C32)CC1	REAL300018258792	0	44	0.0	-82.98	325.67	9.59	-73.39
O=C([O-])C1=NOC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258793	1	34	0.0	-83.46	296.42	7.78	-75.68
O=C([O-])C1=CC=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=N1	REAL300018258794	1	37	0.0	-78.25	315.00	8.40	-69.85
O=C([O-])C1=NOC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258795	1	34	0.0	-83.46	296.42	7.78	-75.68
CC(OC1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1)C(=O)[O-]	REAL300018258796	0	45	0.0	-87.08	368.76	11.15	-75.93
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1	REAL300018258797	0	45	0.0	-87.92	377.77	10.24	-77.68
CC1CC([NH2+]C2CCSC3=C(F)C=CC=C32)CCC1C(=O)[O-]	REAL300018258798	0	44	0.0	-84.79	319.17	9.22	-75.57
O=C([O-])C=CC1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258799	1	39	0.0	-90.56	336.47	8.33	-82.23
O=C([O-])C(F)(F)C1CCCC([NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258800	0	44	0.0	-63.55	338.37	10.52	-53.03
O=C([O-])C(F)(F)C1CCC([NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258801	0	41	0.0	-70.52	332.38	9.97	-60.55
CC1=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C(C(=O)[O-])O1	REAL300018258802	0	38	0.0	-81.13	321.14	9.38	-71.75
CC1=C(C(=O)[O-])OC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258803	1	38	0.0	-78.19	319.94	9.33	-68.86
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1Cl	REAL300018258804	0	38	0.0	-87.82	331.68	10.63	-77.19
CC(CC(C)(C)CC(=O)[O-])[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258805	0	46	0.0	-65.44	337.53	10.39	-55.05
CC1C(CC(=O)[O-])CCC1[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258806	0	44	0.0	-66.58	326.92	10.49	-56.09
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C(C(F)(F)F)=C1	REAL300018258807	0	41	0.0	-73.87	346.44	11.16	-62.71
CN1C=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C(C(=O)[O-])=N1	REAL300018258808	0	38	0.0	-60.61	318.95	8.08	-52.53
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=C1Br	REAL300018258809	0	38	0.0	-86.43	335.41	10.72	-75.71
CCC1=C(C(=O)[O-])C=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258810	1	41	0.0	-75.04	341.71	9.99	-65.05
O=C([O-])CCCC1CCCC([NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258811	0	50	0.0	-73.45	372.52	11.98	-61.47
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258812	0	49	0.0	-79.41	360.90	10.57	-68.84
O=C([O-])CN1C=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C(C2=CC=CC=C2)=N1	REAL300018258813	0	48	0.0	-74.43	391.30	11.79	-62.64
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)N=C1	REAL300018258814	1	37	0.0	-78.87	314.30	8.40	-70.47
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258815	0	45	0.0	-57.41	352.89	11.49	-45.92
CN1N=C(C(=O)[O-])C=C1C[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258816	0	38	0.0	-90.16	321.01	7.90	-82.26
O=C([O-])CCC1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)O1	REAL300018258817	1	41	0.0	-78.95	343.96	10.11	-68.84
O=C([O-])C1=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=CC=C1F	REAL300018258818	0	38	0.0	-83.40	323.71	10.26	-73.14
O=C([O-])CCC1CC([NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258819	0	41	0.0	-71.87	328.72	10.03	-61.84
O=C([O-])C1=CC2=C(SC(C[NH2+]C3CCSC4=C(F)C=CC=C43)=C2)S1	REAL300018258820	0	38	0.0	-89.66	347.41	10.92	-78.74
O=C([O-])C1=C2N=CC(C[NH2+]C3CCSC4=C(F)C=CC=C43)=CN2N=C1	REAL300018258821	0	40	0.0	-107.75	341.95	9.19	-98.56
O=C([O-])C1=CC=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C=N1	REAL300018258822	0	37	0.0	-90.47	314.86	8.44	-82.03
CC(OC1=CC=C(Cl)C=C1C[NH2+]C1CCSC2=C(F)C=CC=C21)C(=O)[O-]	REAL300018258823	0	45	0.0	-51.58	383.97	11.70	-39.88
O=C([O-])C1=CC(F)=C(C[NH2+]C2CCSC3=C(F)C=CC=C32)C(F)=C1	REAL300018258824	1	38	0.0	-70.34	329.74	10.29	-60.05
O=C([O-])C1=CN2C(C[NH2+]C3CCSC4=C(F)C=CC=C43)=CN=C2C=C1	REAL300018258825	0	41	0.0	-72.65	346.01	10.65	-62.00
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C1CCSC2=C(F)C=CC=C21	REAL300018258826	0	40	0.0	-89.57	330.09	9.08	-80.49
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258827	0	41	0.0	-77.04	322.83	9.90	-67.14
O=C([O-])C1=CN=C2C(C[NH2+]C3CCSC4=C(F)C=CC=C43)=CC=CN12	REAL300018258828	0	41	0.0	-84.42	344.88	9.95	-74.47
O=C([O-])C1=CC=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1Br	REAL300018258829	1	38	0.0	-74.20	330.37	10.67	-63.53
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]C3CCSC4=C(F)C=CC=C43)=N2)C1	REAL300018258830	1	45	0.0	-75.28	365.79	9.81	-65.47
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]C2CCSC3=C(F)C=CC=C32)C1	REAL300018258831	0	45	0.0	-90.08	366.31	10.13	-79.95
O=C([O-])C1=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=CC(C(F)(F)F)=C1	REAL300018258832	0	41	0.0	-76.81	358.20	11.23	-65.58
O=C([O-])C1=CC=C(O)C(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258833	0	39	0.0	-72.30	327.85	7.51	-64.79
O=C([O-])C1=CC(Br)=CC(C[NH2+]C2CCSC3=C(F)C=CC=C32)=C1	REAL300018258834	0	38	0.0	-78.34	340.44	10.83	-67.51
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]C2CCOCC2)O1	REAL300018258835	0	41	0.0	-65.00	327.44	8.33	-56.67
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]C2CCOCC2)C=C1	REAL300018258836	0	48	0.0	-73.78	381.14	9.19	-64.59
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3CCOCC3)O2)C=C1	REAL300018258837	0	41	0.0	-82.04	331.22	7.67	-74.37
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3CCOCC3)O2)C=C1	REAL300018258838	0	41	0.0	-82.04	331.22	7.67	-74.37
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCOCC1	REAL300018258839	0	41	0.0	-56.06	326.08	7.05	-49.01
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]C2CCOCC2)C=C1	REAL300018258840	0	41	0.0	-75.24	329.86	5.83	-69.41
O=C([O-])C1=CC=C(C[NH2+]C2CCOCC2)C(C(F)(F)F)=C1	REAL300018258841	0	37	0.0	-74.37	299.82	6.87	-67.50
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]C2CCOCC2)=C1	REAL300018258842	0	41	0.0	-60.12	344.25	7.46	-52.66
O=C([O-])C1=CC=C(C[NH2+]C2CCOCC2)C=C1Br	REAL300018258843	0	34	0.0	-77.19	287.54	6.30	-70.89
O=C([O-])CN1C=C(C[NH2+]C2CCOCC2)C(C2=CC=CC=C2)=N1	REAL300018258844	0	44	0.0	-68.50	350.76	7.39	-61.11
CC(OC1=CC=C(Cl)C=C1C[NH2+]C1CCOCC1)C(=O)[O-]	REAL300018258845	0	41	0.0	-54.19	335.41	7.23	-46.96
O=C([O-])C1=CN2C(C[NH2+]C3CCOCC3)=CN=C2C(Br)=C1	REAL300018258846	0	37	0.0	-65.09	319.44	6.79	-58.30
O=C([O-])C1=CC=CC(C[NH2+]C2CCOCC2)=C1Br	REAL300018258847	0	34	0.0	-63.75	282.55	6.24	-57.51
O=C([O-])C1=CC(C[NH2+]C2CCOCC2)=CC(C(F)(F)F)=C1	REAL300018258848	0	37	0.0	-70.78	309.99	6.79	-63.99
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]C3CCOCC3)=CN=C12	REAL300018258849	0	37	0.0	-85.98	319.51	7.00	-78.98
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]C2CCOCC2)C1	REAL300018258850	0	41	0.0	-56.97	327.98	7.71	-49.26
O=C([O-])C1=CC(Br)=CC(C[NH2+]C2CCOCC2)=C1	REAL300018258851	0	34	0.0	-67.98	292.58	6.42	-61.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C1	REAL300018258852	0	42	0.0	-90.77	375.75	10.25	-80.52
CC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)O1	REAL300018258853	1	42	0.0	-80.61	376.80	9.21	-71.40
O=C([O-])C1=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=CO1	REAL300018258854	1	39	0.0	-59.93	353.48	8.51	-51.42
O=C([O-])CN1CCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300018258855	0	47	0.0	-75.47	388.18	7.49	-67.98
O=C([O-])C1=COC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=C1	REAL300018258856	1	39	0.0	-80.88	358.82	8.49	-72.39
O=C([O-])C1CCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300018258857	0	45	0.0	-76.93	374.94	9.62	-67.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)O1	REAL300018258859	1	39	0.0	-78.45	358.56	8.74	-69.71
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)O1	REAL300018258860	1	39	0.0	-78.45	358.56	8.74	-69.71
CC(C)(CC[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C(=O)[O-]	REAL300018258861	0	44	0.0	-72.30	370.70	9.03	-63.27
O=C([O-])C1CCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300018258862	0	45	0.0	-76.93	374.94	9.62	-67.31
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=C1	REAL300018258863	0	42	0.0	-85.31	375.75	10.24	-75.07
O=C([O-])C1=NNC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=C1	REAL300018258864	1	39	0.0	-90.34	357.16	6.68	-83.66
O=C([O-])CCC[NH+]1CCC(NCC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300018258865	0	53	0.0	-64.49	431.58	9.80	-54.69
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C1	REAL300018258866	0	46	0.0	-88.15	406.81	10.52	-77.63
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C1	REAL300018258867	0	46	0.0	-88.15	406.81	10.52	-77.63
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=CS1	REAL300018258868	0	39	0.0	-82.91	366.29	9.30	-73.61
O=C([O-])CC1CCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CC1	REAL300018258869	0	48	0.0	-76.54	392.01	10.24	-66.30
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=N1	REAL300018258871	1	41	0.0	-76.42	371.59	8.42	-68.00
CC([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C1CC1C(=O)[O-]	REAL300018258873	0	42	0.0	-48.03	361.17	9.24	-38.79
O=C([O-])CC1CC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300018258874	0	42	0.0	-71.37	362.64	9.21	-62.16
CC1CC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)CCC1C(=O)[O-]	REAL300018258875	0	48	0.0	-78.77	385.05	9.87	-68.90
O=C([O-])C=CC1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)O1	REAL300018258876	1	43	0.0	-88.86	393.05	8.33	-80.53
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300018258877	0	45	0.0	-72.44	388.54	9.95	-62.49
CC1=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C(C(=O)[O-])O1	REAL300018258878	1	42	0.0	-81.60	377.55	9.40	-72.20
CC1=C(C(=O)[O-])OC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=C1	REAL300018258879	1	42	0.0	-78.54	376.53	9.33	-69.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=C1Cl	REAL300018258880	0	42	0.0	-90.39	388.26	10.63	-79.76
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300018258881	0	50	0.0	-69.80	393.99	10.55	-59.25
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300018258882	0	48	0.0	-73.82	391.32	10.74	-63.08
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300018258883	0	42	0.0	-70.78	362.55	8.99	-61.79
CN1C=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C(C(=O)[O-])=N1	REAL300018258884	1	42	0.0	-69.25	375.69	8.07	-61.18
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)O1	REAL300018258885	1	45	0.0	-81.07	398.29	9.99	-71.08
O=C([O-])CCCC1CCCC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300018258886	0	54	0.0	-75.95	429.42	12.00	-63.95
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300018258887	0	53	0.0	-79.29	427.65	11.18	-68.11
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)N=C1	REAL300018258888	1	41	0.0	-80.09	370.89	8.41	-71.68
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300018258889	1	42	0.0	-95.01	377.61	7.90	-87.11
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)O1	REAL300018258890	1	45	0.0	-78.50	400.55	10.13	-68.37
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=CC=C1F	REAL300018258891	0	42	0.0	-91.48	380.30	10.27	-81.21
O=C([O-])CCC1CC([NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300018258892	0	45	0.0	-76.98	385.57	10.06	-66.92
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C=N1	REAL300018258893	0	41	0.0	-92.99	371.46	8.45	-84.54
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300018258894	0	44	0.0	-92.65	386.68	9.07	-83.58
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)C1	REAL300018258895	0	45	0.0	-80.02	380.53	9.93	-70.09
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2=CC=C(C3=NC4=CC=CC=C4S3)O2)=C1	REAL300018258896	0	43	0.0	-80.86	383.33	7.65	-73.21
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2CC2)O1	REAL300018258897	0	47	0.0	-61.55	376.48	13.21	-48.34
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C(C3=CC=CC=C3)C3CC3)O2)C=C1	REAL300018258898	0	47	0.0	-80.03	380.25	12.55	-67.48
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C(C3=CC=CC=C3)C3CC3)O2)C=C1	REAL300018258899	0	47	0.0	-80.03	380.25	12.55	-67.48
CC1=CC(C[NH2+]C(C2=CC=CC=C2)C2CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018258900	0	50	0.0	-78.86	399.95	12.63	-66.23
O=C([O-])CCCN1CCC([NH2+]C(C2=CC=CC=C2)C2CC2)CC1	REAL300018258901	1	51	0.0	-67.02	382.21	9.45	-57.57
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2CC2)C=C1	REAL300018258902	0	44	0.0	-74.94	358.16	11.18	-63.76
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2CC2)C=C1	REAL300018258903	0	44	0.0	-74.94	358.16	11.18	-63.76
CC(OC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2CC2)C=C1)C(=O)[O-]	REAL300018258904	0	47	0.0	-75.20	376.03	11.78	-63.42
O=C([O-])C(F)(F)C1CCCC([NH2+]C(C2=CC=CC=C2)C2CC2)C1	REAL300018258905	0	46	0.0	-61.96	355.60	11.05	-50.91
O=C([O-])C(F)(F)C1CCC([NH2+]C(C2=CC=CC=C2)C2CC2)C1	REAL300018258906	0	43	0.0	-61.79	335.98	10.41	-51.38
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2CC2)C=C1Cl	REAL300018258907	0	40	0.0	-75.72	339.60	11.29	-64.43
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2CC2)C=C1Br	REAL300018258908	0	40	0.0	-74.39	343.33	11.39	-63.00
O=C([O-])CCCC1CCCC([NH2+]C(C2=CC=CC=C2)C2CC2)C1	REAL300018258909	0	52	0.0	-65.08	380.32	12.63	-52.45
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1CC1	REAL300018258910	0	51	0.0	-67.53	378.57	11.79	-55.74
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]C(C2=CC=CC=C2)C2CC2)C1	REAL300018258911	0	47	0.0	-40.00	359.00	12.44	-27.56
O=C([O-])C1=CC2=C(SC(C[NH2+]C(C3=CC=CC=C3)C3CC3)=C2)S1	REAL300018258912	0	40	0.0	-78.32	348.54	11.38	-66.94
O=C([O-])C1=C2N=CC(C[NH2+]C(C3=CC=CC=C3)C3CC3)=CN2N=C1	REAL300018258913	0	42	0.0	-94.48	349.88	9.85	-84.63
O=C([O-])C1=CN2C(C[NH2+]C(C3=CC=CC=C3)C3CC3)=CN=C2C=C1	REAL300018258914	0	43	0.0	-61.20	347.14	11.11	-50.09
O=C([O-])C1=CN=C2C(C[NH2+]C(C3=CC=CC=C3)C3CC3)=CC=CN12	REAL300018258915	0	43	0.0	-77.69	345.98	10.40	-67.29
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=CC=C2)C2CC2)=C1Br	REAL300018258916	0	40	0.0	-62.10	331.58	11.10	-51.00
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]C(C3=CC=CC=C3)C3CC3)=N2)C1	REAL300018258917	0	47	0.0	-64.98	373.68	10.50	-54.48
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]C(C2=CC=CC=C2)C2CC2)C1	REAL300018258918	0	47	0.0	-77.40	367.37	10.57	-66.83
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2CC2)=CC(C(F)(F)F)=C1	REAL300018258919	0	43	0.0	-66.80	365.79	11.88	-54.92
O=C([O-])C1=CC(Br)=CC(C[NH2+]C(C2=CC=CC=C2)C2CC2)=C1	REAL300018258920	0	40	0.0	-65.75	348.38	11.50	-54.25
O=C([O-])C1=C(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)C=CO1	REAL300018258921	0	49	0.0	-54.32	402.15	5.37	-48.95
O=C([O-])C1=COC(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)=C1	REAL300018258922	1	49	0.0	-79.65	407.49	5.34	-74.31
O=C([O-])C1CCC([NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)CC1	REAL300018258923	0	55	0.0	-79.77	423.94	6.47	-73.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)O1	REAL300018258924	1	49	0.0	-78.48	407.23	5.60	-72.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)O1	REAL300018258925	1	49	0.0	-78.48	407.23	5.60	-72.88
CC(C)(CC[NH2+]CC1=CC=CC=C1CS(=O)(=O)N1CCOCC1)C(=O)[O-]	REAL300018258926	0	54	0.0	-71.08	417.93	5.92	-65.16
O=C([O-])C1CCC([NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)CC1	REAL300018258927	0	55	0.0	-79.77	423.94	6.47	-73.30
O=C([O-])C1=NNC(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)=C1	REAL300018258928	0	49	0.0	-88.29	406.07	3.53	-84.76
O=C([O-])C1=NOC(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)=C1	REAL300018258929	1	48	0.0	-85.62	400.19	4.71	-80.91
O=C([O-])C1=NOC(C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)=C1	REAL300018258930	1	48	0.0	-85.62	400.19	4.71	-80.91
CC([NH2+]CC1=CC=CC=C1CS(=O)(=O)N1CCOCC1)C1CC1C(=O)[O-]	REAL300018258931	0	52	0.0	-66.45	407.70	6.10	-60.35
O=C([O-])CC1CC([NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)C1	REAL300018258932	0	52	0.0	-70.54	410.79	6.18	-64.36
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)C1	REAL300018258933	0	52	0.0	-67.26	409.77	5.90	-61.36
O=C([O-])CCC1CC([NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)C1	REAL300018258934	0	55	0.0	-76.97	430.21	6.94	-70.03
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2=CC=CC=C2CS(=O)(=O)N2CCOCC2)C1	REAL300018258935	0	55	0.0	-81.57	427.42	6.82	-74.75
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300018258936	1	49	0.0	-85.84	383.81	11.35	-74.49
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=C(C(=O)[O-])C=C2)C(C)=C1	REAL300018258936	1	49	0.0	-85.77	383.85	11.35	-74.42
CC1=CC(C)=C(NC(=O)C[N@H+](C)CCC(C)(C)C(=O)[O-])C(C)=C1	REAL300018258943	0	51	0.0	-67.20	380.32	10.18	-57.02
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CCC(C)(C)C(=O)[O-])C(C)=C1	REAL300018258943	1	51	0.0	-67.31	379.89	10.14	-57.17
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018258944	1	49	0.0	-77.07	383.97	11.30	-65.77
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018258944	1	49	0.0	-77.18	383.81	11.35	-65.83
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C(C)=C1	REAL300018258946	1	59	0.0	-87.07	459.12	13.13	-73.94
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C(C)=C1	REAL300018258946	1	59	0.0	-87.12	459.04	13.17	-73.95
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300018258948	1	53	0.0	-83.13	414.89	11.62	-71.51
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300018258948	1	53	0.0	-83.08	414.92	11.62	-71.46
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300018258949	1	53	0.0	-83.13	414.89	11.62	-71.51
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)C(C)=C1	REAL300018258949	1	53	0.0	-83.08	414.92	11.62	-71.46
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=C(OC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018258954	1	56	0.0	-83.68	434.05	12.28	-71.40
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=C(OC(C)C(=O)[O-])C=C2)C(C)=C1	REAL300018258954	1	56	0.0	-83.51	433.88	12.33	-71.18
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1	REAL300018258958	1	49	0.0	-85.13	396.44	11.70	-73.43
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=C(C(=O)[O-])C(Cl)=C2)C(C)=C1	REAL300018258958	1	49	0.0	-85.10	396.31	11.74	-73.36
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300018258964	1	49	0.0	-84.04	388.50	11.33	-72.71
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC=C(F)C(C(=O)[O-])=C2)C(C)=C1	REAL300018258964	1	49	0.0	-83.88	388.30	11.36	-72.52
CC1=CC(C)=C(NC(=O)C[N@H+](C)C[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300018258970	0	52	0.0	-71.34	389.04	11.06	-60.28
CC1=CC(C)=C(NC(=O)C[N@@H+](C)C[C@H]2CC[C@@H](C(=O)[O-])C2)C(C)=C1	REAL300018258970	1	52	0.0	-70.53	389.72	11.10	-59.43
CC1=CC(C)=C(NC(=O)C[N@@H+](C)CC2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300018258974	1	50	0.0	-71.64	393.24	8.75	-62.89
CC1=CC(C)=C(NC(=O)C[N@H+](C)CC2=CC(C(=O)[O-])=CC=C2O)C(C)=C1	REAL300018258974	1	50	0.0	-72.08	393.60	8.67	-63.41
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH+]2CCCCC2)C=C1	REAL300018258975	0	47	0.0	-65.38	362.57	12.37	-53.01
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH+]2CCCCC2)=C1	REAL300018258976	1	40	0.0	-52.92	325.28	10.52	-42.40
C[N@H+](CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258979	0	47	0.0	-89.45	380.23	10.55	-78.90
C[N@@H+](CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258979	1	47	0.0	-89.48	380.24	10.55	-78.93
CC1=C(C(=O)[O-])C=C(C[N@@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)O1	REAL300018258980	1	47	0.0	-77.15	382.92	9.64	-67.51
CC1=C(C(=O)[O-])C=C(C[N@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)O1	REAL300018258980	1	47	0.0	-77.35	381.89	9.55	-67.80
C[N@H+](CC1=C(C(=O)[O-])OC=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258981	0	44	0.0	-50.65	359.67	8.84	-41.81
C[N@@H+](CC1=C(C(=O)[O-])OC=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258981	1	44	0.0	-56.97	359.58	8.88	-48.09
C[N@H+](CC1=CC(C(=O)[O-])=CO1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258982	1	44	0.0	-77.50	364.91	8.91	-68.59
C[N@@H+](CC1=CC(C(=O)[O-])=CO1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258982	1	44	0.0	-77.88	363.90	8.82	-69.06
C[N@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258984	0	44	0.0	-79.80	364.66	9.16	-70.64
C[N@@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258984	1	44	0.0	-80.92	363.65	9.07	-71.85
C[N@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258985	0	44	0.0	-79.80	364.66	9.16	-70.64
C[N@@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258985	1	44	0.0	-80.92	363.65	9.07	-71.85
C[N@H+](CCC(C)(C)C(=O)[O-])CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258986	0	49	0.0	-69.97	376.12	9.37	-60.60
C[N@@H+](CCC(C)(C)C(=O)[O-])CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258986	1	49	0.0	-70.57	376.76	9.39	-61.18
C[N@H+](CC1=CC=C(C(=O)NC2CC2)C=C1)CC1=CC=CC(C(=O)[O-])=C1	REAL300018258987	0	47	0.0	-83.44	380.24	10.54	-72.90
C[N@@H+](CC1=CC=C(C(=O)NC2CC2)C=C1)CC1=CC=CC(C(=O)[O-])=C1	REAL300018258987	1	47	0.0	-79.08	380.20	10.53	-68.55
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018258989	0	57	0.0	-91.39	453.05	12.28	-79.11
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018258989	1	57	0.0	-90.92	455.38	12.37	-78.55
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+](C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258990	1	56	0.0	-80.72	440.20	10.07	-70.65
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+](C)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258990	1	56	0.0	-81.27	439.99	10.06	-71.21
C[N@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258991	0	51	0.0	-87.28	411.31	10.82	-76.46
C[N@@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258991	1	51	0.0	-87.35	411.31	10.82	-76.53
C[N@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258992	0	51	0.0	-87.28	411.31	10.82	-76.46
C[N@@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258992	1	51	0.0	-87.35	411.31	10.82	-76.53
C[N@H+](CC1=CSC(C(=O)[O-])=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258993	0	44	0.0	-77.84	371.07	9.65	-68.19
C[N@@H+](CC1=CSC(C(=O)[O-])=C1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258993	1	44	0.0	-79.96	371.09	9.60	-70.36
C[N@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258994	1	43	0.0	-84.53	359.16	8.18	-76.35
C[N@@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258994	1	43	0.0	-85.04	358.15	8.12	-76.92
C[N@H+](CC1=CC=C(C(=O)NC2CC2)C=C1)CC1=CC=CC(C(=O)[O-])=N1	REAL300018258995	1	46	0.0	-82.28	376.73	8.69	-73.59
C[N@@H+](CC1=CC=C(C(=O)NC2CC2)C=C1)CC1=CC=CC(C(=O)[O-])=N1	REAL300018258995	1	46	0.0	-80.51	376.67	9.06	-71.45
C[N@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258996	1	43	0.0	-84.53	359.16	8.18	-76.35
C[N@@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258996	1	43	0.0	-85.04	358.15	8.12	-76.92
CC(OC1=CC=C(C[N@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)C=C1)C(=O)[O-]	REAL300018258997	0	54	0.0	-87.81	429.18	11.42	-76.39
CC(OC1=CC=C(C[N@@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)C=C1)C(=O)[O-]	REAL300018258997	1	54	0.0	-88.05	429.18	11.42	-76.63
C[N@H+](CC1=CC=C(C=CC(=O)[O-])O1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258998	1	48	0.0	-90.86	399.15	8.76	-82.10
C[N@@H+](CC1=CC=C(C=CC(=O)[O-])O1)CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300018258998	1	48	0.0	-92.14	398.12	8.66	-83.48
CC1=C(C[N@@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300018258999	0	47	0.0	-83.19	383.80	9.73	-73.46
CC1=C(C[N@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)C=C(C(=O)[O-])O1	REAL300018258999	1	47	0.0	-83.70	384.72	9.73	-73.97
CC1=C(C(=O)[O-])OC(C[N@@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)=C1	REAL300018259000	0	47	0.0	-78.15	382.62	9.76	-68.39
CC1=C(C(=O)[O-])OC(C[N@H+](C)CC2=CC=C(C(=O)NC3CC3)C=C2)=C1	REAL300018259000	1	47	0.0	-81.41	381.53	9.66	-71.75
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300018278722	1	51	0.0	-61.23	397.98	8.69	-52.54
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300018278733	0	57	0.0	-79.71	433.66	9.72	-69.99
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300018278736	0	54	0.0	-65.16	413.61	9.79	-55.37
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300018278741	0	59	0.0	-76.47	453.36	11.60	-64.87
CC(C)OC1=CC=C(C(=O)[O-])C=C1NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300018278745	0	55	0.0	-76.89	429.81	10.31	-66.58
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300018278784	0	55	0.0	-66.06	418.66	11.68	-54.38
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300018278784	1	55	0.0	-64.56	417.61	11.59	-52.97
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[NH+](CC2CC2)CC1	REAL300018278785	0	52	0.0	-66.95	391.47	10.20	-56.75
CC(C)C[NH+]1CCC(NC2=CC(C(=O)[O-])=CC=C2OC(C)C)CC1	REAL300018278793	0	54	0.0	-65.35	397.81	10.15	-55.20
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300018278799	0	54	0.0	-74.01	412.87	9.87	-64.14
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[NH+](C(C)(C)C)CC1	REAL300018278800	0	54	0.0	-62.50	388.21	9.45	-53.05
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[NH+](CCN2CCOCC2)CC1	REAL300018278804	0	61	0.0	-70.62	446.86	7.12	-63.50
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[NH+](C2CCCCC2C)CC1	REAL300018278819	0	61	0.0	-63.31	427.69	11.54	-51.77
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300018278952	0	58	0.0	-67.63	427.75	11.78	-55.85
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300018278952	1	58	0.0	-65.04	434.54	12.10	-52.94
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[N@@H+]2CCCC2C1	REAL300018278974	0	49	0.0	-66.08	360.94	9.35	-56.73
CC(C)OC1=CC=C(C(=O)[O-])C=C1NC1CC[N@H+]2CCCC2C1	REAL300018278974	1	49	0.0	-66.05	361.07	9.34	-56.71
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1F	REAL300018279602	0	39	0.0	-39.77	341.06	10.88	-28.89
CC(C)=CCCC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279604	0	45	0.0	-33.82	357.16	10.98	-22.84
CC1(C)CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC(C)(C)C1	REAL300018279605	0	51	0.0	-32.54	383.96	11.52	-21.02
O=C([O-])CC([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC(Br)=C1	REAL300018279606	0	39	0.0	-38.53	351.72	11.72	-26.81
CC(C)OC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279607	0	46	0.0	-35.91	383.58	11.03	-24.88
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1F	REAL300018279608	0	39	0.0	-38.55	341.06	10.87	-27.68
O=C([O-])CC([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC(Br)=C1	REAL300018279609	0	40	0.0	-35.87	345.54	10.17	-25.70
O=C([O-])CC([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=CC(Br)=C1	REAL300018279610	0	35	0.0	-42.80	334.32	9.96	-32.84
CC1CC(C)CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279611	0	45	0.0	-29.83	347.52	10.56	-19.27
CC(C)CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279612	0	48	0.0	-34.28	395.60	12.88	-21.40
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC(C)=C1	REAL300018279613	0	42	0.0	-34.96	357.08	11.48	-23.48
O=C([O-])CC([NH2+]CC1=NC=CS1)C1=CC=CC(Br)=C1	REAL300018279614	1	32	0.0	-32.53	299.14	7.32	-25.21
CC(C)C1CCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279615	0	48	0.0	-33.35	368.80	11.32	-22.03
O=C([O-])CC([NH2+]CC1=CN=CN=C1)C1=CC=CC(Br)=C1	REAL300018279616	0	34	0.0	-39.67	304.09	8.21	-31.46
O=C([O-])CC([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC(Br)=C1	REAL300018279617	0	41	0.0	-39.04	347.33	10.33	-28.71
CC1CCCC1[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279618	0	39	0.0	-29.30	303.79	9.58	-19.72
O=C([O-])CC([NH2+]C1CCOCC1)C1=CC=CC(Br)=C1	REAL300018279619	0	37	0.0	-35.38	304.06	7.21	-28.17
CC(C)CCCC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279620	0	47	0.0	-32.85	371.98	11.34	-21.51
CCCCC(CC)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279621	0	44	0.0	-31.68	325.59	9.64	-22.04
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279622	0	39	0.0	-32.19	348.05	10.88	-21.31
O=C([O-])CC([NH2+]CC1=CCCOC1)C1=CC=CC(Br)=C1	REAL300018279623	0	38	0.0	-34.77	321.31	8.03	-26.74
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279624	0	42	0.0	-42.85	360.89	10.55	-32.30
O=C([O-])CC([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC(Br)=C1	REAL300018279625	0	41	0.0	-38.12	350.15	10.00	-28.12
O=C([O-])CC([NH2+]CC1=CN=CS1)C1=CC=CC(Br)=C1	REAL300018279626	0	32	0.0	-51.42	295.82	7.18	-44.24
O=C([O-])CC([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC(Br)=C1	REAL300018279627	0	40	0.0	-35.65	345.36	10.18	-25.47
CN1C=NC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279628	0	36	0.0	-36.43	314.48	9.32	-27.11
O=C([O-])CC([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC(Br)=C1	REAL300018279629	0	40	0.0	-38.72	345.70	10.20	-28.52
CC1=NN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279630	0	39	0.0	-38.90	337.03	8.34	-30.56
CC(CC1=CC=CS1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279631	0	39	0.0	-34.98	332.37	10.33	-24.65
O=C([O-])CC([NH2+]CC1=CSC=N1)C1=CC=CC(Br)=C1	REAL300018279632	1	32	0.0	-38.11	298.97	7.18	-30.93
CC(C)(C)N1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279633	0	45	0.0	-39.92	377.03	9.98	-29.94
CN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279634	0	36	0.0	-38.68	315.09	7.76	-30.92
COC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1Cl	REAL300018279635	0	40	0.0	-37.54	359.87	10.02	-27.52
COC1=NC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279636	0	39	0.0	-39.09	339.88	6.94	-32.15
O=C([O-])CC([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC(Br)=C1	REAL300018279637	0	41	0.0	-38.90	346.71	10.31	-28.59
CC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279638	0	35	0.0	-50.97	317.77	7.90	-43.07
O=C([O-])CC([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC(Br)=C1	REAL300018279639	0	42	0.0	-37.67	357.05	9.37	-28.30
CCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279640	0	46	0.0	-34.64	387.19	11.20	-23.44
CC(CN1C=NC=N1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279641	0	38	0.0	-49.36	319.70	10.29	-39.07
CC1=C2C=C(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)C=NC2=NN1	REAL300018279642	0	41	0.0	-63.50	354.13	8.45	-55.05
CC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279643	0	37	0.0	-40.58	325.81	8.17	-32.41
CCC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279644	0	38	0.0	-50.85	339.25	8.65	-42.20
O=C([O-])CC([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=CC(Br)=C1	REAL300018279645	0	39	0.0	-43.22	341.11	10.60	-32.62
CN(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279646	0	40	0.0	-36.30	356.07	9.12	-27.18
CC(C)OC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279647	0	46	0.0	-33.97	384.20	11.09	-22.88
CC(C)C1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CS1	REAL300018279648	1	41	0.0	-37.89	362.10	9.21	-28.68
O=C([O-])CC([NH2+]CC1=CSC(C2CC2)=N1)C1=CC=CC(Br)=C1	REAL300018279649	1	39	0.0	-38.37	350.81	9.40	-28.97
CCC1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CS1	REAL300018279650	1	38	0.0	-31.71	342.31	8.63	-23.08
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279651	0	45	0.0	-37.10	377.59	12.41	-24.69
CC1=CC=CC(CCC(C)[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279652	0	48	0.0	-34.94	392.58	13.01	-21.93
CC1=CC=C(CCC(C)[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279653	0	48	0.0	-34.90	392.58	13.03	-21.87
O=C([O-])CC([NH2+]C1CCC(F)(F)CC1)C1=CC=CC(Br)=C1	REAL300018279654	0	39	0.0	-54.67	320.81	9.45	-45.22
O=C([O-])CC(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(Br)=C1	REAL300018279655	1	48	0.0	-61.38	380.27	10.45	-50.93
CC(C)(C)C1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CS1	REAL300018279656	1	44	0.0	-31.41	380.96	9.71	-21.70
O=C([O-])CC([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(Br)=C1	REAL300018279657	0	40	0.0	-43.91	350.38	8.59	-35.32
CC(C)(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279658	0	44	0.0	-35.48	381.30	9.98	-25.50
CC(C)C[NH+]1CCC(NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279659	1	50	0.0	-59.59	386.04	10.26	-49.33
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C(C)S1	REAL300018279660	0	39	0.0	-48.16	340.29	10.45	-37.71
CC([NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCCC1	REAL300018279661	0	42	0.0	-33.04	325.78	9.92	-23.12
C#CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279662	0	42	0.0	-39.47	371.59	10.97	-28.50
CC(C)(C)[NH+]1CCC(NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279663	0	50	0.0	-57.55	377.90	9.65	-47.90
C=CCCC(CC)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279664	0	42	0.0	-32.07	317.30	9.42	-22.65
CCN1C=CN=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279665	1	39	0.0	-39.80	329.07	9.44	-30.36
CCOCC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279666	0	39	0.0	-35.82	325.44	7.86	-27.96
CCCC(CC1=CC=CC=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279667	0	48	0.0	-31.97	372.88	12.27	-19.70
C=CCC(C)C(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279668	0	42	0.0	-32.99	335.40	10.13	-22.86
CN1N=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C2=CC=CC=C21	REAL300018279669	0	42	0.0	-34.53	364.29	10.09	-24.44
CN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279670	1	36	0.0	-38.90	317.21	7.89	-31.01
O=C([O-])CC([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=CC(Br)=C1	REAL300018279671	0	39	0.0	-42.91	341.22	8.79	-34.12
CN(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1F	REAL300018279672	0	44	0.0	-37.69	375.24	9.72	-27.97
CC1=NSC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279673	0	35	0.0	-40.81	320.89	8.59	-32.22
CC(CC1=CSC=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279674	0	39	0.0	-48.29	335.44	10.21	-38.08
CC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279675	1	35	0.0	-32.46	320.94	7.91	-24.55
CC1=NC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279676	0	38	0.0	-38.31	323.34	8.95	-29.36
CC(CSC(C)(C)C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279677	0	45	0.0	-29.04	370.37	10.91	-18.13
CN(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018279678	0	44	0.0	-37.03	366.90	9.58	-27.45
CC(C)OCC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279679	0	42	0.0	-35.86	345.72	8.62	-27.24
COCC(CC(C)C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279680	0	45	0.0	-33.76	359.92	8.89	-24.87
O=C([O-])CC([NH2+]C1CCCOC1)C1=CC=CC(Br)=C1	REAL300018279681	0	37	0.0	-31.56	304.23	7.19	-24.37
CC1(C)CCCC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279682	0	48	0.0	-34.40	369.62	11.40	-23.00
CC1=CC(N(C)C)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279683	0	47	0.0	-33.76	376.31	11.04	-22.72
O=C([O-])CC([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC(Br)=C1	REAL300018279684	0	43	0.0	-35.67	359.88	12.08	-23.59
CC1=CC=CC=C1CC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279685	0	45	0.0	-48.25	361.17	11.67	-36.58
CC1=CC=CC(CC(C)[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279686	0	45	0.0	-48.23	366.65	11.90	-36.33
COC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)SC=C1	REAL300018279687	0	37	0.0	-45.88	331.20	8.34	-37.54
O=C([O-])CC([NH2+]CCC1CCOCC1)C1=CC=CC(Br)=C1	REAL300018279688	0	43	0.0	-54.72	344.50	8.48	-46.24
O=C([O-])CC([NH2+]CC1CCSCC1)C1=CC=CC(Br)=C1	REAL300018279689	0	40	0.0	-55.22	331.74	9.96	-45.26
O=C([O-])CC([NH2+]CC1CCCCCC1)C1=CC=CC(Br)=C1	REAL300018279690	0	45	0.0	-33.87	346.81	10.96	-22.91
O=C([O-])CC([NH2+]CC1=NC2=C(CCCC2)S1)C1=CC=CC(Br)=C1	REAL300018279691	1	42	0.0	-32.04	362.88	9.92	-22.12
O=C([O-])CC([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC(Br)=C1	REAL300018279692	0	35	0.0	-38.40	321.56	8.88	-29.52
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=NN1C	REAL300018279693	1	39	0.0	-33.60	336.62	8.33	-25.27
CCC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279694	0	40	0.0	-40.44	347.29	8.77	-31.67
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=NO1	REAL300018279695	1	35	0.0	-39.76	311.28	8.32	-31.44
CCN1C=NC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279696	0	39	0.0	-34.67	331.67	10.28	-24.39
CC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018279697	0	39	0.0	-40.45	332.29	9.07	-31.38
O=C([O-])CC([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC(Br)=C1	REAL300018279698	0	41	0.0	-40.36	355.34	10.65	-29.71
O=C([O-])CC([NH2+]CC1=CN=C2CCCN12)C1=CC=CC(Br)=C1	REAL300018279699	0	40	0.0	-41.58	340.27	9.74	-31.84
O=C([O-])CC([NH2+]CC1=CC=C(F)C=N1)C1=CC=CC(Br)=C1	REAL300018279700	0	35	0.0	-40.98	315.72	8.43	-32.55
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)SC=N1	REAL300018279701	0	35	0.0	-36.21	317.05	7.89	-28.32
COC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279702	0	40	0.0	-37.96	350.25	9.55	-28.41
CC(CC1=CN=CC=N1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279703	0	40	0.0	-32.15	335.88	8.64	-23.51
CC(C)(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279704	0	46	0.0	-39.98	385.93	10.11	-29.87
CC1=NOC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279705	1	35	0.0	-42.22	311.28	8.35	-33.87
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=CO1	REAL300018279706	0	36	0.0	-49.77	310.83	8.70	-41.07
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C(Cl)=C1	REAL300018279707	0	39	0.0	-47.15	345.14	11.04	-36.11
O=C([O-])CC([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC(Br)=C1	REAL300018279708	0	39	0.0	-37.53	352.54	11.45	-26.08
O=C([O-])CC([NH2+]CC1=NOC=C1)C1=CC=CC(Br)=C1	REAL300018279709	1	32	0.0	-40.19	289.34	7.49	-32.70
CS(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279710	0	41	0.0	-50.57	366.67	8.79	-41.78
CCC1CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CCO1	REAL300018279711	0	43	0.0	-51.52	342.76	8.51	-43.01
CC(C)C1CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CCO1	REAL300018279712	0	46	0.0	-51.35	359.78	9.04	-42.31
O=C([O-])CC([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC(Br)=C1	REAL300018279713	0	46	0.0	-35.11	377.03	12.66	-22.45
CC(C)CC(C)CC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279714	0	50	0.0	-33.70	378.99	11.43	-22.27
CCC1CCC1[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279715	0	39	0.0	-29.98	322.48	9.76	-20.22
CC1=CC=C(C(C)C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279716	0	45	0.0	-35.60	371.91	12.16	-23.44
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279717	0	40	0.0	-35.33	350.62	8.18	-27.15
CC(C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCCCC1	REAL300018279718	0	48	0.0	-50.22	366.30	11.35	-38.87
CC1=CNC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279720	1	36	0.0	-34.57	315.61	7.48	-27.09
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C(C)=C1	REAL300018279721	0	46	0.0	-34.81	376.17	10.87	-23.94
COC1=CC(C)=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279722	0	43	0.0	-46.79	360.50	9.96	-36.83
CC1=NC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279723	0	38	0.0	-52.02	329.13	6.08	-45.94
COCC1=CSC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279724	0	40	0.0	-50.51	356.52	8.74	-41.77
CCCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279725	0	42	0.0	-32.14	369.54	11.65	-20.49
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)N=C1	REAL300018279726	0	38	0.0	-32.03	330.68	8.99	-23.04
O=C([O-])CC([NH2+]CC1=CC=NS1)C1=CC=CC(Br)=C1	REAL300018279727	0	32	0.0	-53.22	295.87	7.76	-45.46
CC(C)N1C=CN=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279728	1	42	0.0	-31.23	355.31	10.00	-21.23
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=CC=C1[N+](=O)[O-]	REAL300018279729	0	41	0.0	-39.78	348.09	11.13	-28.65
COC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1Cl	REAL300018279730	0	40	0.0	-39.93	359.87	10.03	-29.90
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CS1	REAL300018279731	0	36	0.0	-35.00	326.20	9.93	-25.07
O=C([O-])CC([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=CC(Br)=C1	REAL300018279732	0	39	0.0	-33.59	341.68	10.50	-23.09
CC1CSCC1[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279733	0	37	0.0	-31.08	302.46	9.32	-21.76
CCC1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279734	0	42	0.0	-37.26	356.74	9.25	-28.01
O=C([O-])CC([NH2+]CC1=NN2CCCCC2=C1)C1=CC=CC(Br)=C1	REAL300018279735	1	43	0.0	-38.26	358.93	9.52	-28.74
CCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279736	0	42	0.0	-49.46	353.89	11.34	-38.12
COC1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279737	0	36	0.0	-36.61	331.97	5.81	-30.80
O=C([O-])CC([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC(Br)=C1	REAL300018279738	0	40	0.0	-37.41	352.95	11.75	-25.66
CC1=NC=CN=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279739	0	37	0.0	-38.84	321.25	6.96	-31.88
O=C([O-])CC([NH2+]C1CCC2(CC2)CC1)C1=CC=CC(Br)=C1	REAL300018279740	0	43	0.0	-32.89	340.08	10.59	-22.30
O=C([O-])CC([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=CC(Br)=C1	REAL300018279741	0	41	0.0	-35.32	353.70	7.52	-27.80
O=C([O-])CC([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=CC(Br)=C1	REAL300018279742	0	43	0.0	-32.82	330.28	10.38	-22.44
CC1=CC=CN2C(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)=CN=C12	REAL300018279743	0	42	0.0	-38.07	362.62	11.21	-26.86
CCN1N=CN=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279744	1	38	0.0	-41.90	326.39	9.30	-32.60
CN1C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CN=C1Cl	REAL300018279745	0	36	0.0	-55.65	327.41	8.80	-46.85
O=C([O-])CC([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC(Br)=C1	REAL300018279746	0	36	0.0	-42.32	335.72	7.55	-34.77
CC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018279747	1	39	0.0	-41.73	334.38	9.01	-32.72
O=C([O-])CC([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC(Br)=C1	REAL300018279748	0	40	0.0	-55.66	349.39	9.93	-45.73
O=C([O-])CC([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC(Br)=C1	REAL300018279749	0	40	0.0	-39.13	352.75	10.20	-28.93
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279750	0	42	0.0	-40.24	363.38	7.77	-32.47
CC1=C(Cl)C=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279751	0	39	0.0	-34.09	339.34	11.05	-23.04
O=C([O-])CC([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC(Br)=C1	REAL300018279752	0	38	0.0	-41.33	346.46	9.93	-31.40
CC1=CC=CC2=NC=C(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)N21	REAL300018279753	0	42	0.0	-36.50	350.17	10.96	-25.54
C=CCCCCCC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279754	0	48	0.0	-34.32	382.26	11.87	-22.45
C=CCCCCC(C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279755	0	45	0.0	-34.08	360.76	11.09	-22.99
CC1=CC(Cl)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279756	0	39	0.0	-51.49	349.20	11.10	-40.39
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279757	0	43	0.0	-36.46	369.52	9.92	-26.54
COCC(CC(C)(C)C)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279758	0	48	0.0	-41.58	365.92	9.52	-32.06
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC2=CC=CN=C12	REAL300018279759	0	44	0.0	-39.79	375.51	11.35	-28.44
CC(C)C1CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279760	0	48	0.0	-50.09	365.23	11.02	-39.07
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)SN=N1	REAL300018279761	0	34	0.0	-39.59	313.62	7.35	-32.24
COC1=C(C)C=NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1C	REAL300018279762	0	45	0.0	-37.02	376.81	8.97	-28.05
CCC1CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279763	0	45	0.0	-49.94	348.40	10.55	-39.39
NC1=C(F)C=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279764	0	38	0.0	-36.52	330.44	8.31	-28.21
O=C([O-])CC([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC(Br)=C1	REAL300018279765	0	39	0.0	-40.14	348.62	11.12	-29.02
O=C([O-])CC([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC(Br)=C1	REAL300018279766	0	43	0.0	-34.66	358.62	12.02	-22.64
O=C([O-])CC([NH2+]CC1=NC(Cl)=CS1)C1=CC=CC(Br)=C1	REAL300018279767	1	32	0.0	-33.47	316.12	7.74	-25.73
COC1=NSC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279768	0	36	0.0	-54.33	328.31	5.83	-48.50
O=C([O-])CC([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=CC(Br)=C1	REAL300018279769	0	41	0.0	-37.86	350.34	10.40	-27.46
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=NN1C	REAL300018279770	0	39	0.0	-52.90	330.56	8.17	-44.73
O=C([O-])CC([NH2+]C1CC2CCC(C2)C1)C1=CC=CC(Br)=C1	REAL300018279771	0	43	0.0	-33.10	325.31	10.04	-23.06
O=C([O-])CC([NH2+]CC1=CN=C(C2CC2)O1)C1=CC=CC(Br)=C1	REAL300018279772	1	39	0.0	-36.82	342.98	7.47	-29.35
CC(C)(C)C1CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279773	0	45	0.0	-44.45	351.87	10.46	-33.99
CCOC1=CN=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279774	0	42	0.0	-38.58	360.62	8.58	-30.00
CCOC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279775	0	43	0.0	-53.02	368.83	10.22	-42.80
COC1=CC=C(C(C)C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279776	0	46	0.0	-37.43	380.12	10.77	-26.66
CN1N=C(C2CC2)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279777	0	43	0.0	-54.11	363.33	9.56	-44.55
O=C([O-])CC(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC(Br)=C1	REAL300018279778	1	45	0.0	-60.56	349.12	9.60	-50.96
O=C([O-])CC(NC1CC[N@H+]2CCCC2C1)C1=CC=CC(Br)=C1	REAL300018279778	1	45	0.0	-58.82	353.72	9.30	-49.52
O=C([O-])CC([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC(Br)=C1	REAL300018279779	0	52	0.0	-34.02	381.81	12.04	-21.98
CC([NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1)C(C)C1=CC=CC=C1	REAL300018279780	0	45	0.0	-33.26	364.47	11.89	-21.37
O=C([O-])CC([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC(Br)=C1	REAL300018279781	0	44	0.0	-36.06	367.41	11.23	-24.83
O=C([O-])CC([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC(Br)=C1	REAL300018279782	0	43	0.0	-37.68	365.39	10.10	-27.58
CC(CCC1=CC=CN=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279783	0	44	0.0	-37.19	359.70	10.20	-26.99
CC(C)C1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279784	0	45	0.0	-35.06	374.49	12.08	-22.98
CN1N=CN=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279785	1	35	0.0	-36.68	309.62	8.42	-28.26
O=C([O-])CC([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC(Br)=C1	REAL300018279786	0	50	0.0	-36.08	373.05	9.73	-26.35
COC1=CN=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1C	REAL300018279787	0	42	0.0	-36.51	352.90	8.34	-28.17
CCC1=CNC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279788	1	39	0.0	-34.29	337.04	8.22	-26.07
O=C([O-])CC([NH2+]CC1=CC2=CN=CC=C2O1)C1=CC=CC(Br)=C1	REAL300018279789	0	38	0.0	-42.61	336.94	8.97	-33.64
CC1=C2C=C(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)NC2=CC=C1	REAL300018279790	0	43	0.0	-53.18	363.84	10.50	-42.68
CCOC1CCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279791	0	46	0.0	-48.78	361.92	9.44	-39.34
CC1=C(C)NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279792	1	39	0.0	-41.41	335.42	8.03	-33.38
CC1=CCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279793	0	40	0.0	-30.26	319.50	9.77	-20.49
O=C([O-])CC([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC(Br)=C1	REAL300018279794	0	49	0.0	-32.74	365.85	11.45	-21.29
O=C([O-])CC([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC(Br)=C1	REAL300018279795	0	38	0.0	-40.55	343.68	9.24	-31.31
O=C([O-])CC([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC(Br)=C1	REAL300018279796	0	46	0.0	-33.44	362.51	11.91	-21.53
CCC1(C)CCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279797	0	48	0.0	-33.26	361.11	10.95	-22.31
O=C([O-])CC([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC(Br)=C1	REAL300018279798	0	46	0.0	-35.10	358.67	11.78	-23.32
CN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C(C(F)F)=N1	REAL300018279799	0	39	0.0	-48.73	343.19	8.61	-40.12
CC([NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCCCCC1	REAL300018279800	0	48	0.0	-32.01	358.88	11.33	-20.68
CCC1(CC)CCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279801	0	51	0.0	-50.77	372.58	11.20	-39.57
O=C([O-])CC([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC(Br)=C1	REAL300018279802	0	44	0.0	-36.63	361.04	10.12	-26.51
O=C([O-])CC([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC(Br)=C1	REAL300018279803	0	43	0.0	-39.06	370.04	12.38	-26.68
CC1CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279804	0	36	0.0	-33.65	295.65	8.77	-24.88
CCCN1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279805	0	42	0.0	-51.03	350.13	9.19	-41.84
CC1=CC=C2C=C(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)NC2=C1	REAL300018279806	0	43	0.0	-52.98	364.32	10.53	-42.45
O=C([O-])CC([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC(Br)=C1	REAL300018279807	0	40	0.0	-41.64	340.81	8.77	-32.87
O=C([O-])CC([NH2+]CC1=NN2CCCC2=C1)C1=CC=CC(Br)=C1	REAL300018279808	1	40	0.0	-39.49	340.87	8.70	-30.79
CC(C)C1CCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279809	0	45	0.0	-32.26	348.63	10.50	-21.76
O=C([O-])CC([NH2+]CC1=CC2=CC=CN=C2O1)C1=CC=CC(Br)=C1	REAL300018279810	0	38	0.0	-46.22	336.98	7.66	-38.56
CC1CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279811	0	45	0.0	-29.65	341.29	10.34	-19.31
CCC1CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279812	0	48	0.0	-29.59	360.90	11.07	-18.52
CC1(C)CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279813	0	48	0.0	-30.05	350.21	10.45	-19.60
CC(C)(C)C1CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018279814	0	54	0.0	-30.28	393.64	12.06	-18.22
CC1CC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)CCN1C	REAL300018279815	0	44	0.0	-50.15	342.80	7.35	-42.80
CC1CC(NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@@H+]1C	REAL300018279815	1	44	0.0	-55.21	344.37	8.64	-46.57
CC1CC(NC(CC(=O)[O-])C2=CC=CC(Br)=C2)CC[N@H+]1C	REAL300018279815	1	44	0.0	-60.73	340.26	8.33	-52.40
O=C([O-])CC([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1=CC=CC(Br)=C1	REAL300018279816	0	39	0.0	-40.82	348.63	10.77	-30.05
CC([NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1)C1CCCO1	REAL300018279817	0	40	0.0	-35.12	324.09	7.95	-27.17
COCC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279818	0	43	0.0	-36.16	369.40	9.90	-26.26
CN(C)CC1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CS1	REAL300018279819	1	43	0.0	-31.80	375.47	6.65	-25.15
CC1=CC=C(CC[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279820	0	42	0.0	-36.82	357.25	11.62	-25.20
O=C([O-])CC([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC(Br)=C1	REAL300018279821	0	43	0.0	-32.46	355.17	12.06	-20.40
O=C([O-])CC([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC(Br)=C1	REAL300018279822	0	39	0.0	-36.81	347.83	11.07	-25.74
CC1=CC(CC[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC(C)=C1	REAL300018279823	0	45	0.0	-36.80	378.78	12.29	-24.51
CC(CCC1=CSC=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279824	0	42	0.0	-34.81	354.85	10.92	-23.89
CC(CC1=CN(C)N=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279825	0	42	0.0	-54.38	348.51	8.95	-45.43
CN1N=CC2=CC(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)=CN=C21	REAL300018279826	0	41	0.0	-45.67	358.57	9.29	-36.38
CN1C=C(CCC[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279827	0	42	0.0	-40.02	360.16	9.50	-30.52
CCC1=CN=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018279828	1	38	0.0	-35.68	342.64	8.91	-26.77
O=C([O-])CC([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC(Br)=C1	REAL300018279829	0	35	0.0	-44.11	315.60	8.33	-35.78
O=C([O-])CC([NH2+]C1CCC2COCCC2C1)C1=CC=CC(Br)=C1	REAL300018279830	0	47	0.0	-32.78	351.20	9.28	-23.50
CC1(C)CC2(CC([NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)C2)CO1	REAL300018279831	0	47	0.0	-36.55	372.55	9.52	-27.03
CC1CC2(CC([NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)C2)CO1	REAL300018279832	0	44	0.0	-35.32	358.47	9.07	-26.25
O=C([O-])CC([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC(Br)=C1	REAL300018279833	0	44	0.0	-31.73	354.98	10.22	-21.51
O=C([O-])CC([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC(Br)=C1	REAL300018279834	0	43	0.0	-35.35	354.98	11.13	-24.22
CN1C=NC2=CC=CC(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)=C21	REAL300018279835	0	42	0.0	-38.53	348.65	11.25	-27.28
COC1=CC=C(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279836	0	43	0.0	-48.89	355.46	9.84	-39.05
O=C([O-])CC([NH2+]CC1=NOC(C2CCC2)=C1)C1=CC=CC(Br)=C1	REAL300018279837	1	42	0.0	-32.08	359.61	10.44	-21.64
CC1(C2=CC(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)=NO2)CC1	REAL300018279838	1	42	0.0	-39.36	361.90	10.32	-29.04
CCC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279839	0	42	0.0	-47.06	344.38	11.19	-35.87
CC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279840	0	39	0.0	-52.39	338.88	10.66	-41.73
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C(C)=C1C	REAL300018279841	0	45	0.0	-32.93	363.96	11.91	-21.02
O=C([O-])CC([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC(Br)=C1	REAL300018279842	0	46	0.0	-40.84	370.34	10.56	-30.28
CC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1C1CC1	REAL300018279843	0	46	0.0	-35.41	381.37	12.79	-22.62
CCOC1=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC=N1	REAL300018279844	0	42	0.0	-41.36	363.28	7.82	-33.54
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1C1CC1	REAL300018279845	0	46	0.0	-35.40	381.37	12.79	-22.61
O=C([O-])CC([NH2+]C1CC(C2CCC2)C1)C1=CC=CC(Br)=C1	REAL300018279846	0	43	0.0	-33.50	345.24	10.97	-22.53
O=C([O-])CC([NH2+]CC1=NOC(C2CC2)=C1)C1=CC=CC(Br)=C1	REAL300018279847	1	39	0.0	-32.90	342.83	9.89	-23.01
CC(C)C1=CC=C(O)C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279848	0	46	0.0	-50.69	378.81	9.24	-41.45
O=C([O-])CC([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC(Br)=C1	REAL300018279849	0	46	0.0	-33.79	357.10	11.21	-22.58
CC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1O	REAL300018279850	0	40	0.0	-38.08	345.44	8.08	-30.00
O=C([O-])CC([NH2+]CC1=NC(C2CC2)=CS1)C1=CC=CC(Br)=C1	REAL300018279851	1	39	0.0	-37.80	350.10	9.39	-28.41
O=C([O-])CC([NH2+]CC1=CN(CC2CC2)N=N1)C1=CC=CC(Br)=C1	REAL300018279852	1	42	0.0	-35.72	363.99	9.09	-26.63
O=C([O-])CC([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC(Br)=C1	REAL300018279853	0	41	0.0	-52.59	346.94	9.77	-42.82
O=C([O-])CC([NH2+]CC1=NC2=C(CCCC2)N1)C1=CC=CC(Br)=C1	REAL300018279854	1	43	0.0	-33.98	357.22	9.23	-24.75
O=C([O-])CC([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC(Br)=C1	REAL300018279855	0	44	0.0	-37.20	368.05	10.26	-26.94
CSC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279856	0	40	0.0	-34.68	354.55	11.19	-23.49
CC1(C)C2CC([NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)CC21	REAL300018279857	0	43	0.0	-50.82	338.60	10.47	-40.35
CCN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279858	1	39	0.0	-38.72	338.74	8.76	-29.96
O=C([O-])CC([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC(Br)=C1	REAL300018279859	0	43	0.0	-35.52	379.53	12.42	-23.10
O=C([O-])CC([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC(Br)=C1	REAL300018279860	0	44	0.0	-52.62	371.76	10.92	-41.70
CCCN1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279861	1	42	0.0	-38.49	360.24	9.52	-28.97
CC(C)N1C=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279862	1	42	0.0	-38.20	357.43	9.28	-28.92
CC(C)(C)C1=CN=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279863	0	47	0.0	-38.99	385.74	10.67	-28.32
CN1C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=NC2=C1CCCC2	REAL300018279864	1	46	0.0	-32.82	377.08	10.85	-21.97
CC1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279865	0	38	0.0	-31.71	331.02	8.99	-22.72
O=C([O-])CC([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=CC(Br)=C1	REAL300018279866	0	41	0.0	-32.90	355.61	10.62	-22.28
COC1=NC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1C	REAL300018279867	0	42	0.0	-40.23	361.64	7.56	-32.67
O=C([O-])CC([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC(Br)=C1	REAL300018279868	0	44	0.0	-34.43	359.56	10.09	-24.34
O=C([O-])CC([NH2+]CC1=CC2=C(CCCC2)O1)C1=CC=CC(Br)=C1	REAL300018279869	0	43	0.0	-36.89	358.61	11.01	-25.88
CCC(C)N1N=CC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279870	0	45	0.0	-36.44	375.64	9.94	-26.50
O=C([O-])CC([NH2+]C1CC2CCCCC2C1)C1=CC=CC(Br)=C1	REAL300018279871	0	46	0.0	-29.97	353.45	11.05	-18.92
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279872	0	42	0.0	-38.75	352.85	7.32	-31.43
O=C([O-])CC([NH2+]CC1=NC2=CC=CC=C2S1)C1=CC=CC(Br)=C1	REAL300018279873	0	38	0.0	-37.60	346.12	9.65	-27.95
CC1=NOC(C2CC([NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)C2)=N1	REAL300018279874	0	41	0.0	-58.24	350.04	7.42	-50.82
O=C([O-])CC([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC(Br)=C1	REAL300018279875	0	47	0.0	-35.89	376.08	9.89	-26.00
CCCN1C=NC=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279876	0	42	0.0	-38.25	350.86	10.97	-27.28
CCC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=NN1CC	REAL300018279877	0	45	0.0	-49.36	370.29	9.84	-39.52
CC(F)(F)C1=CC=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018279878	0	42	0.0	-36.15	367.54	11.70	-24.45
O=C([O-])CC([NH2+]C1CC2CCCCCC2C1)C1=CC=CC(Br)=C1	REAL300018279879	0	49	0.0	-30.04	362.26	11.41	-18.63
O=C([O-])CC([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC(Br)=C1	REAL300018279880	0	44	0.0	-37.71	368.05	10.27	-27.44
O=C([O-])CC([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC(Br)=C1	REAL300018279881	0	39	0.0	-57.74	337.05	9.44	-48.30
CCC1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)N=C1	REAL300018279882	0	41	0.0	-38.33	352.23	9.76	-28.57
O=C([O-])CC([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC(Br)=C1	REAL300018279883	0	41	0.0	-41.08	355.34	10.65	-30.43
CC1=CC2=CC=CC(C[NH2+]C(CC(=O)[O-])C3=CC=CC(Br)=C3)=C2O1	REAL300018279884	0	42	0.0	-49.42	360.19	11.09	-38.33
O=C([O-])CC([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC(Br)=C1	REAL300018279885	0	39	0.0	-49.51	340.04	8.74	-40.77
O=C([O-])CC([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=CC(Br)=C1	REAL300018279887	1	43	0.0	-38.36	360.44	9.75	-28.61
O=C([O-])CC([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=CC(Br)=C1	REAL300018279888	1	39	0.0	-42.97	350.59	9.07	-33.90
CC1=CN(C)C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018279889	1	39	0.0	-33.12	335.93	9.14	-23.98
O=C([O-])CC([NH2+]C1CC2CCCC(C2)C1)C1=CC=CC(Br)=C1	REAL300018279890	0	46	0.0	-29.96	347.81	10.95	-19.01
O=C([O-])CC([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=CC(Br)=C1	REAL300018279891	1	46	0.0	-37.90	380.10	10.54	-27.36
O=C([O-])CC([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=CC(Br)=C1	REAL300018279892	0	39	0.0	-41.68	347.93	10.56	-31.12
O=C([O-])CC([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC(Br)=C1	REAL300018279893	0	40	0.0	-36.08	345.38	11.48	-24.60
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279894	0	46	0.0	-51.98	378.71	10.28	-41.70
COC1=CC=CC=C1C=CC[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279895	0	44	0.0	-35.39	373.75	10.83	-24.56
CC(C)(C)N1CCCC([NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279896	0	50	0.0	-32.26	377.44	8.69	-23.57
CC(C)(C)[N@@H+]1CCCC(NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279896	1	50	0.0	-54.87	380.93	9.93	-44.94
CC(C)(C)[N@H+]1CCCC(NC(CC(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018279896	1	50	0.0	-58.82	375.05	10.18	-48.64
O=C([O-])CC([NH2+]CC1=CC=C(CF)C=C1)C1=CC=CC(Br)=C1	REAL300018279897	0	39	0.0	-36.78	342.44	11.01	-25.77
O=C([O-])CC([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=CC(Br)=C1	REAL300018279898	0	39	0.0	-38.39	351.26	11.55	-26.84
CC(CC1=CN(C)N=C1)[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279899	0	42	0.0	-54.38	348.51	8.95	-45.43
O=C([O-])CC([NH2+]C1CC2CC=CCC2C1)C1=CC=CC(Br)=C1	REAL300018279900	0	44	0.0	-35.05	349.77	11.27	-23.78
C=CCN1C=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018279901	0	40	0.0	-37.15	351.41	9.39	-27.76
O=C([O-])CC([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=CC(Br)=C1	REAL300018279902	0	39	0.0	-54.80	337.25	8.62	-46.18
CCC(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018279903	0	48	0.0	-34.41	393.13	12.78	-21.63
O=C([O-])CC([NH2+]C1CCC2(C1)CCOCC2)C1=CC=CC(Br)=C1	REAL300018279904	0	47	0.0	-35.46	364.25	9.39	-26.07
O=C([O-])CC([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=CC(Br)=C1	REAL300018279905	0	46	0.0	-33.81	369.60	12.52	-21.29
CC1=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)C=CC2=CC=CC=C12	REAL300018279906	0	45	0.0	-34.96	371.41	12.93	-22.03
CCCN1N=CC(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)=C1C	REAL300018279907	0	45	0.0	-34.55	379.13	10.05	-24.50
O=C([O-])CC([NH2+]C1CCC1CC1=CC=CC=C1)C1=CC=CC(Br)=C1	REAL300018279908	0	46	0.0	-32.76	383.79	12.83	-19.93
CCCN1N=C(C)C=C1C[NH2+]C(CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300018279909	0	45	0.0	-51.03	372.07	9.76	-41.27
CC(C)(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])C2=CC=CC(Br)=C2)O1	REAL300018279910	1	44	0.0	-35.76	373.65	7.69	-28.07
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC(Cl)=CC3=C2OCC3)=C1	REAL300018279911	0	49	0.0	-33.59	401.72	9.72	-23.87
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC(Cl)=CC3=C2OCC3)=C1	REAL300018279911	1	49	0.0	-34.79	401.07	9.72	-25.07
COC1=CC(C[N@@H+](CC(=O)[O-])CC(C)CC2=CC=CC=C2)=CC(OC)=C1	REAL300018279912	0	53	0.0	-40.31	399.61	11.25	-29.06
COC1=CC(C[N@H+](CC(=O)[O-])CC(C)CC2=CC=CC=C2)=CC(OC)=C1	REAL300018279912	1	53	0.0	-35.39	399.95	11.06	-24.33
CCC1CCCC(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300018279914	0	56	0.0	-35.37	397.41	10.56	-24.81
CCC1CCCC(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C1	REAL300018279914	1	56	0.0	-32.97	403.18	10.59	-22.38
COC1=CC(C[N@@H+](CC(=O)[O-])CC2CCCCC2C)=CC(OC)=C1	REAL300018279915	0	53	0.0	-38.43	378.41	9.91	-28.52
COC1=CC(C[N@H+](CC(=O)[O-])CC2CCCCC2C)=CC(OC)=C1	REAL300018279915	1	53	0.0	-35.28	380.26	9.96	-25.32
COC1=CC(OC)=CC(C[N@H+](CC=CC2=CC=C(F)C=C2F)CC(=O)[O-])=C1	REAL300018279917	0	48	0.0	-42.03	386.85	10.41	-31.62
COC1=CC(OC)=CC(C[N@@H+](CC=CC2=CC=C(F)C=C2F)CC(=O)[O-])=C1	REAL300018279917	1	48	0.0	-34.84	386.11	10.40	-24.44
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2CC3CCC2C3)=C1	REAL300018279918	0	51	0.0	-36.26	370.27	9.86	-26.40
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2CC3CCC2C3)=C1	REAL300018279918	1	51	0.0	-32.56	373.94	10.02	-22.54
COC1=CC(OC)=CC(C[N@H+](CCC2=CC=C(C(C)C)C=C2)CC(=O)[O-])=C1	REAL300018279919	0	56	0.0	-38.32	430.38	12.10	-26.22
COC1=CC(OC)=CC(C[N@@H+](CCC2=CC=C(C(C)C)C=C2)CC(=O)[O-])=C1	REAL300018279919	1	56	0.0	-32.77	430.96	12.10	-20.67
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN3C=C(C)C=CC3=N2)=CC(OC)=C1	REAL300018279920	1	50	0.0	-35.85	397.62	10.79	-25.06
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN3C=C(C)C=CC3=N2)=CC(OC)=C1	REAL300018279920	1	50	0.0	-29.87	390.67	10.01	-19.86
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C3OC=CC3=C2)=C1	REAL300018279922	0	47	0.0	-37.95	375.67	9.66	-28.29
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C3OC=CC3=C2)=C1	REAL300018279922	1	47	0.0	-39.46	368.32	9.22	-30.24
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=NC=C(C[NH+](C)C)S2)=C1	REAL300018279923	1	51	0.0	-65.31	406.05	5.94	-59.37
COC1=CC(OC)=CC(C[N@H+](CCC2=CC=C(Cl)C=C2)CC(=O)[O-])=C1	REAL300018279925	0	47	0.0	-40.51	386.89	10.69	-29.82
COC1=CC(OC)=CC(C[N@@H+](CCC2=CC=C(Cl)C=C2)CC(=O)[O-])=C1	REAL300018279925	1	47	0.0	-35.08	387.46	10.69	-24.39
COC1=CC(C[N@H+](CC(=O)[O-])CC2=C(C)C=NN2C)=CC(OC)=C1	REAL300018279926	0	47	0.0	-36.73	365.62	7.30	-29.43
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)C=NN2C)=CC(OC)=C1	REAL300018279926	1	47	0.0	-32.93	362.86	7.21	-25.72
COC1=CC(OC)=CC(CN(CC(=O)[O-])CC2=NOC(C[NH+](C)C)=C2)=C1	REAL300018279928	1	51	0.0	-79.89	397.47	6.38	-73.51
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=CN=C2N(C)C)=CC(OC)=C1	REAL300018279930	0	51	0.0	-34.84	397.47	8.48	-26.36
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CN=C2N(C)C)=CC(OC)=C1	REAL300018279930	1	51	0.0	-35.90	395.37	8.61	-27.29
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=CC=N2)=CC(OC)=C1	REAL300018279931	1	42	0.0	-35.13	338.52	6.03	-29.10
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=CC=N2)=CC(OC)=C1	REAL300018279931	1	42	0.0	-32.27	330.84	5.13	-27.14
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C3CCCC3)C=C2)=CC(OC)=C1	REAL300018279932	0	57	0.0	-32.89	432.32	12.53	-20.36
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C3CCCC3)C=C2)=CC(OC)=C1	REAL300018279932	1	57	0.0	-33.64	431.84	12.51	-21.13
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC(F)=CC=C2OC)=C1	REAL300018279933	0	48	0.0	-33.37	377.21	8.37	-25.00
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC(F)=CC=C2OC)=C1	REAL300018279933	1	48	0.0	-34.11	382.25	8.82	-25.29
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN(CC(F)F)N=C2)=CC(OC)=C1	REAL300018279934	0	47	0.0	-41.23	385.02	8.27	-32.96
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN(CC(F)F)N=C2)=CC(OC)=C1	REAL300018279934	1	47	0.0	-44.32	384.71	8.28	-36.04
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=CC=C2C2=CC=NN2C)=CC(OC)=C1	REAL300018279935	0	54	0.0	-35.85	417.85	9.87	-25.98
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CC=C2C2=CC=NN2C)=CC(OC)=C1	REAL300018279935	1	54	0.0	-35.85	415.93	10.13	-25.72
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C3CCC3)C=C2)=CC(OC)=C1	REAL300018279936	0	54	0.0	-34.80	406.64	11.48	-23.32
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C3CCC3)C=C2)=CC(OC)=C1	REAL300018279936	1	54	0.0	-33.84	414.03	11.91	-21.93
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CON=C2C)=C1	REAL300018279937	0	43	0.0	-39.52	346.25	7.40	-32.12
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CON=C2C)=C1	REAL300018279937	1	43	0.0	-38.37	342.62	7.36	-31.01
COC1=CC(C[N@H+](CC(=O)[O-])CC2=C(C)SC=C2)=CC(OC)=C1	REAL300018279938	0	44	0.0	-32.70	356.93	9.09	-23.61
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)SC=C2)=CC(OC)=C1	REAL300018279938	1	44	0.0	-31.41	354.94	9.08	-22.33
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C3CCCC3=N2)=C1	REAL300018279940	0	50	0.0	-33.03	389.27	9.75	-23.28
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C3CCCC3=N2)=C1	REAL300018279940	1	50	0.0	-28.66	381.55	8.89	-19.77
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=NN2C2CCCC2)=C1	REAL300018279941	1	54	0.0	-35.81	405.94	9.48	-26.33
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=NN2C2CCCC2)=C1	REAL300018279941	1	54	0.0	-36.17	407.93	9.36	-26.81
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C3CC3)C=C2)=CC(OC)=C1	REAL300018279943	0	51	0.0	-33.44	397.31	11.42	-22.02
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C3CC3)C=C2)=CC(OC)=C1	REAL300018279943	1	51	0.0	-34.05	397.34	11.43	-22.62
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C)N=N2)=CC(OC)=C1	REAL300018279944	0	45	0.0	-47.49	354.85	6.85	-40.64
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C)N=N2)=CC(OC)=C1	REAL300018279944	1	45	0.0	-29.10	352.81	6.60	-22.50
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300018279945	0	50	0.0	-37.44	402.52	10.83	-26.61
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C(F)(F)F)C(C)=C2)=C1	REAL300018279945	1	50	0.0	-36.79	402.70	10.83	-25.96
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=NN2C2=CC=CC=C2)=CC(OC)=C1	REAL300018279946	1	50	0.0	-31.27	376.09	7.87	-23.40
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=NN2C2=CC=CC=C2)=CC(OC)=C1	REAL300018279946	1	50	0.0	-35.40	391.97	8.49	-26.91
CCC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1O	REAL300018279947	0	51	0.0	-35.77	398.41	8.18	-27.59
CCC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1O	REAL300018279947	1	51	0.0	-32.49	399.96	8.13	-24.36
CCCCOC1=CC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279948	0	57	0.0	-34.64	440.49	11.31	-23.33
CCCCOC1=CC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279948	1	57	0.0	-32.23	442.26	11.24	-20.99
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C3OCCOC3=C2)=CC(OC)=C1	REAL300018279949	0	50	0.0	-37.13	392.81	8.48	-28.65
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C3OCCOC3=C2)=CC(OC)=C1	REAL300018279949	1	50	0.0	-35.33	392.65	8.48	-26.85
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=CC(Br)=C2)=C1	REAL300018279950	0	44	0.0	-34.62	369.60	9.95	-24.67
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CC(Br)=C2)=C1	REAL300018279950	1	44	0.0	-32.58	369.58	9.95	-22.63
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(OC)C(OC)=C2)=C1	REAL300018279951	0	52	0.0	-38.65	407.05	8.52	-30.13
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(OC)C(OC)=C2)=C1	REAL300018279951	1	52	0.0	-36.94	407.05	8.53	-28.41
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=CC=C2C(F)(F)F)=CC(OC)=C1	REAL300018279952	0	47	0.0	-35.19	375.88	10.25	-24.94
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CC=C2C(F)(F)F)=CC(OC)=C1	REAL300018279952	1	47	0.0	-38.47	368.74	10.06	-28.41
CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C=C1OC	REAL300018279953	0	55	0.0	-36.77	428.91	9.45	-27.32
CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C=C1OC	REAL300018279953	1	55	0.0	-38.49	428.65	9.42	-29.07
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=CC=C2C)=CC(OC)=C1	REAL300018279954	0	47	0.0	-32.60	364.68	9.92	-22.68
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CC=C2C)=CC(OC)=C1	REAL300018279954	1	47	0.0	-31.63	359.67	9.80	-21.83
CCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C=C1	REAL300018279955	0	50	0.0	-33.79	391.16	10.76	-23.03
CCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C=C1	REAL300018279955	1	50	0.0	-33.10	390.99	10.76	-22.34
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C3=CC=C(F)C=C3)O2)=C1	REAL300018279956	0	51	0.0	-35.81	416.44	11.42	-24.39
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C3=CC=C(F)C=C3)O2)=C1	REAL300018279956	1	51	0.0	-32.72	416.07	11.39	-21.33
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(C)C(C)=C2)=CC(OC)=C1	REAL300018279957	0	50	0.0	-32.99	386.73	10.54	-22.45
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(C)C(C)=C2)=CC(OC)=C1	REAL300018279957	1	50	0.0	-33.78	386.69	10.52	-23.26
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN(C)N=C2)=CC(OC)=C1	REAL300018279958	0	44	0.0	-37.73	351.63	7.08	-30.65
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN(C)N=C2)=CC(OC)=C1	REAL300018279958	1	44	0.0	-34.70	351.35	7.11	-27.59
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300018279960	0	51	0.0	-37.64	399.12	10.07	-27.57
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(N3C=CC=N3)C=C2)=C1	REAL300018279960	1	51	0.0	-42.51	406.64	10.53	-31.98
CCOC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1	REAL300018279961	0	51	0.0	-32.69	399.65	9.55	-23.14
CCOC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1	REAL300018279961	1	51	0.0	-34.32	399.66	9.55	-24.77
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=CC3=C2OCO3)=CC(OC)=C1	REAL300018279962	0	47	0.0	-36.79	375.40	8.02	-28.77
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CC3=C2OCO3)=CC(OC)=C1	REAL300018279962	1	47	0.0	-40.53	374.66	8.01	-32.52
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2CC=CCC2)=C1	REAL300018279964	0	48	0.0	-42.29	361.29	9.56	-32.73
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2CC=CCC2)=C1	REAL300018279964	1	48	0.0	-33.70	356.19	9.27	-24.43
CCC(CC)C[N@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279965	0	49	0.0	-34.20	357.13	8.91	-25.29
CCC(CC)C[N@@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279965	1	49	0.0	-32.15	354.11	8.59	-23.56
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018279966	0	50	0.0	-38.27	361.52	9.45	-28.82
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018279966	1	50	0.0	-35.39	369.90	9.73	-25.66
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC3=CC=CC=C3N=C2OC)=CC(OC)=C1	REAL300018279967	0	53	0.0	-41.54	407.41	8.12	-33.42
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC3=CC=CC=C3N=C2OC)=CC(OC)=C1	REAL300018279967	1	53	0.0	-29.74	412.63	7.93	-21.81
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C(Cl)=C2)=CC(OC)=C1	REAL300018279968	0	44	0.0	-39.00	370.70	9.88	-29.12
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C(Cl)=C2)=CC(OC)=C1	REAL300018279968	1	44	0.0	-35.21	370.90	9.89	-25.32
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC(Cl)=CC=C2Cl)=CC(OC)=C1	REAL300018279969	1	44	0.0	-28.66	373.20	9.99	-18.67
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC(Cl)=CC=C2Cl)=CC(OC)=C1	REAL300018279969	1	44	0.0	-28.86	370.89	9.92	-18.94
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC(Cl)=CC=C2F)=CC(OC)=C1	REAL300018279970	0	44	0.0	-37.15	357.95	9.32	-27.83
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC(Cl)=CC=C2F)=CC(OC)=C1	REAL300018279970	1	44	0.0	-30.38	363.45	9.51	-20.87
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CC(F)=CC(F)=C2)=CC(OC)=C1	REAL300018279971	0	44	0.0	-37.49	360.97	9.46	-28.03
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC(F)=CC(F)=C2)=CC(OC)=C1	REAL300018279971	1	44	0.0	-37.27	353.67	9.01	-28.26
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=CC(C3=CC=CC=N3)=C2)=C1	REAL300018279972	0	53	0.0	-37.11	419.96	11.21	-25.90
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=CC(C3=CC=CC=N3)=C2)=C1	REAL300018279972	1	53	0.0	-41.40	419.96	11.21	-30.19
COC1=CC(C[N@H+](CC(=O)[O-])CC2=C(C)N(C(C)(C)C)N=C2C)=CC(OC)=C1	REAL300018279973	0	59	0.0	-31.14	426.88	9.14	-22.00
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)N(C(C)(C)C)N=C2C)=CC(OC)=C1	REAL300018279973	1	59	0.0	-35.90	435.49	9.56	-26.34
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN(C)N=C2C)=CC(OC)=C1	REAL300018279974	0	47	0.0	-34.14	365.72	7.29	-26.85
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN(C)N=C2C)=CC(OC)=C1	REAL300018279974	1	47	0.0	-37.58	368.08	7.66	-29.92
CCC(C[N@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1)C1=CC=CC=C1	REAL300018279975	0	53	0.0	-36.60	403.35	11.22	-25.38
CCC(C[N@@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1)C1=CC=CC=C1	REAL300018279975	1	53	0.0	-29.54	399.01	10.87	-18.67
COC1=CC(OC)=CC(C[N@H+](CC=CC2=CC=C(F)C=C2)CC(=O)[O-])=C1	REAL300018279976	0	48	0.0	-37.83	380.49	10.37	-27.46
COC1=CC(OC)=CC(C[N@@H+](CC=CC2=CC=C(F)C=C2)CC(=O)[O-])=C1	REAL300018279976	1	48	0.0	-37.04	387.14	10.79	-26.25
CCN1N=CC=C1C[N@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279977	1	47	0.0	-35.18	359.26	7.40	-27.78
CCN1N=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC(OC)=CC(OC)=C1	REAL300018279977	1	47	0.0	-36.45	366.21	7.38	-29.07
COC1=CC(C[N@H+](CC(=O)[O-])CC2=NC=CC=C2C(F)(F)F)=CC(OC)=C1	REAL300018279978	0	46	0.0	-30.71	368.15	8.29	-22.42
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=NC=CC=C2C(F)(F)F)=CC(OC)=C1	REAL300018279978	1	46	0.0	-33.29	366.22	8.52	-24.77
COC1=CC=C2OC(C[N@H+](CC(=O)[O-])CC3=CC(OC)=CC(OC)=C3)=CC2=C1	REAL300018279979	0	51	0.0	-34.88	399.46	8.73	-26.15
COC1=CC=C2OC(C[N@@H+](CC(=O)[O-])CC3=CC(OC)=CC(OC)=C3)=CC2=C1	REAL300018279979	1	51	0.0	-37.16	407.11	9.28	-27.88
COC1=CC(C[N@H+](CC(=O)[O-])CC2=C(C)OC3=CC=CC=C32)=CC(OC)=C1	REAL300018279980	0	50	0.0	-36.20	391.85	10.27	-25.93
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)OC3=CC=CC=C32)=CC(OC)=C1	REAL300018279980	1	50	0.0	-36.62	393.13	10.34	-26.28
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN(C)C=C2)=CC(OC)=C1	REAL300018279981	0	45	0.0	-32.71	356.17	9.00	-23.71
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN(C)C=C2)=CC(OC)=C1	REAL300018279981	1	45	0.0	-32.20	356.06	9.01	-23.19
COC1=CC(C[N@H+](CC(=O)[O-])CC2=COC3=CC=CC=C23)=CC(OC)=C1	REAL300018279982	0	47	0.0	-37.64	377.66	9.77	-27.87
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=COC3=CC=CC=C23)=CC(OC)=C1	REAL300018279982	1	47	0.0	-37.83	377.12	9.74	-28.09
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=C3C=NC=CN23)=CC(OC)=C1	REAL300018279983	0	46	0.0	-39.99	366.44	7.86	-32.13
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=C3C=NC=CN23)=CC(OC)=C1	REAL300018279983	1	46	0.0	-39.90	363.41	7.51	-32.39
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=C3C=CC(C)=CN23)=CC(OC)=C1	REAL300018279984	0	50	0.0	-37.94	392.63	10.27	-27.67
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=C3C=CC(C)=CN23)=CC(OC)=C1	REAL300018279984	1	50	0.0	-39.85	389.96	9.94	-29.91
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=C3C=CSC3=C2)=CC(OC)=C1	REAL300018279985	0	46	0.0	-39.29	372.80	8.29	-31.00
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=C3C=CSC3=C2)=CC(OC)=C1	REAL300018279985	1	46	0.0	-37.07	380.19	8.75	-28.32
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=C(C)C=C(Cl)C=C2C)=C1	REAL300018279986	0	50	0.0	-33.42	392.30	10.65	-22.77
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)C=C(Cl)C=C2C)=C1	REAL300018279986	1	50	0.0	-31.55	388.53	10.61	-20.94
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300018279987	0	48	0.0	-40.32	393.79	8.97	-31.35
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(OC(F)F)C(F)=C2)=C1	REAL300018279987	1	48	0.0	-37.99	393.75	8.97	-29.02
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=C(C)N=C3SC(C)=NN32)=C1	REAL300018279988	1	49	0.0	-32.54	391.85	7.91	-24.63
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)N=C3SC(C)=NN32)=C1	REAL300018279988	1	49	0.0	-39.53	394.89	8.31	-31.22
COC1=CC(C[N@H+](CC(=O)[O-])CC2=C(C)OC(C)=C2)=CC(OC)=C1	REAL300018279989	0	47	0.0	-33.31	371.71	8.98	-24.33
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=C(C)OC(C)=C2)=CC(OC)=C1	REAL300018279989	1	47	0.0	-31.25	368.18	8.91	-22.34
COC1=CC(C[N@@H+](CC(=O)[O-])CC2CCOC3=CC=CC=C32)=CC(OC)=C1	REAL300018279990	0	52	0.0	-40.77	394.84	9.79	-30.98
COC1=CC(C[N@H+](CC(=O)[O-])CC2CCOC3=CC=CC=C32)=CC(OC)=C1	REAL300018279990	1	52	0.0	-34.97	390.25	9.41	-25.56
COC1=CC(C[N@@H+](CC(=O)[O-])CC2CCC(C)CC2)=CC(OC)=C1	REAL300018279991	0	53	0.0	-35.50	389.95	10.32	-25.18
COC1=CC(C[N@H+](CC(=O)[O-])CC2CCC(C)CC2)=CC(OC)=C1	REAL300018279991	1	53	0.0	-33.00	385.22	9.94	-23.06
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=C(C3CCCO3)S2)=CC(OC)=C1	REAL300018279992	1	51	0.0	-36.73	406.01	7.16	-29.57
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=C(C3CCCO3)S2)=CC(OC)=C1	REAL300018279992	1	51	0.0	-36.28	412.46	7.59	-28.69
COC1=CC(OC)=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(Cl)C=C2C)=C1	REAL300018279993	0	47	0.0	-34.82	381.40	10.44	-24.38
COC1=CC(OC)=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(Cl)C=C2C)=C1	REAL300018279993	1	47	0.0	-33.03	375.82	10.30	-22.73
COC1=CC(C[N@H+](CC(=O)[O-])CC2=CN=CC(Br)=C2)=CC(OC)=C1	REAL300018279994	0	43	0.0	-37.01	364.57	8.14	-28.87
COC1=CC(C[N@@H+](CC(=O)[O-])CC2=CN=CC(Br)=C2)=CC(OC)=C1	REAL300018279994	1	43	0.0	-35.57	364.50	8.14	-27.43
CCN1N=C(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C2=CC=CC=C21	REAL300018279995	1	53	0.0	-39.35	413.39	9.84	-29.51
CCN1N=C(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)C2=CC=CC=C21	REAL300018279995	1	53	0.0	-39.52	414.96	9.81	-29.71
CCSC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1	REAL300018279997	0	51	0.0	-32.07	409.98	11.19	-20.88
CCSC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1	REAL300018279997	1	51	0.0	-34.17	409.99	11.19	-22.98
COC1=CC(C[N@H+](CCC(C)(C)C)CC(=O)[O-])=CC(OC)=C1	REAL300018279998	0	49	0.0	-33.85	358.60	8.40	-25.45
COC1=CC(C[N@@H+](CCC(C)(C)C)CC(=O)[O-])=CC(OC)=C1	REAL300018279998	1	49	0.0	-31.71	366.05	8.82	-22.89
COC1=CC(OC)=CC(C[N@H+](CCSCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018279999	0	51	0.0	-39.07	414.81	11.51	-27.56
COC1=CC(OC)=CC(C[N@@H+](CCSCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018279999	1	51	0.0	-33.18	415.40	11.52	-21.66
CCCC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1	REAL300018280000	0	53	0.0	-33.26	412.70	11.54	-21.72
CCCC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC(OC)=CC(OC)=C2)=C1	REAL300018280000	1	53	0.0	-32.75	412.70	11.54	-21.21
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1F	REAL300018282427	0	36	0.0	-34.50	323.40	10.28	-24.22
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282429	0	42	0.0	-30.20	340.37	10.53	-19.67
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC(C)(C)C1	REAL300018282430	0	48	0.0	-31.18	365.80	10.84	-20.34
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=C(Br)C=C1	REAL300018282431	0	36	0.0	-29.06	332.77	11.07	-17.99
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282432	0	43	0.0	-32.43	365.98	10.42	-22.01
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=C1F	REAL300018282433	0	36	0.0	-32.92	323.41	10.27	-22.65
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(Br)C=C1	REAL300018282434	0	37	0.0	-29.71	328.07	9.57	-20.14
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=C(Br)C=C1	REAL300018282435	0	32	0.0	-42.46	316.74	9.37	-33.09
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282436	0	42	0.0	-31.34	330.10	9.91	-21.43
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282437	0	45	0.0	-29.84	376.53	12.22	-17.62
CC1=CC(C)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282438	0	39	0.0	-30.19	339.49	10.89	-19.30
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1[N+](=O)[O-]	REAL300018282439	0	39	0.0	-46.67	352.20	10.30	-36.37
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(Br)C=C1	REAL300018282440	0	33	0.0	-31.65	328.21	10.52	-21.13
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=C(Br)C=C1	REAL300018282441	0	37	0.0	-32.63	334.02	9.09	-23.54
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282443	0	45	0.0	-27.80	344.91	10.86	-16.94
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=C(Br)C=C1	REAL300018282444	0	31	0.0	-34.31	285.02	7.54	-26.77
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=C(Br)C=C1	REAL300018282445	0	38	0.0	-33.19	327.93	9.68	-23.51
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282446	0	39	0.0	-39.94	357.40	7.09	-32.85
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282447	0	36	0.0	-30.22	298.93	8.98	-21.24
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282448	0	46	0.0	-32.73	383.42	10.90	-21.83
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(Br)C=C1	REAL300018282449	0	40	0.0	-34.42	356.55	11.86	-22.56
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=C(Br)C=C1	REAL300018282450	0	34	0.0	-30.43	286.25	6.53	-23.90
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282451	0	44	0.0	-29.83	350.05	10.66	-19.17
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282452	0	41	0.0	-29.67	318.15	9.69	-19.98
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300018282453	1	36	0.0	-27.82	328.98	10.22	-17.60
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=C(Br)C=C1	REAL300018282454	0	35	0.0	-30.34	302.37	7.36	-22.98
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(Br)C=C1	REAL300018282456	0	38	0.0	-32.93	332.57	9.40	-23.53
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=C(Br)C=C1	REAL300018282457	0	44	0.0	-34.28	370.60	9.48	-24.80
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(Br)C=C1	REAL300018282459	0	37	0.0	-30.56	325.49	9.52	-21.04
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282460	0	33	0.0	-31.20	296.84	8.71	-22.49
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(Br)C=C1	REAL300018282461	0	37	0.0	-31.91	326.13	9.53	-22.38
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282462	0	36	0.0	-33.73	319.27	7.72	-26.01
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282463	0	36	0.0	-26.45	316.83	9.92	-16.53
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282464	0	48	0.0	-29.15	371.61	12.39	-16.76
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(Br)C=C1	REAL300018282465	0	42	0.0	-32.77	363.98	11.15	-21.62
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=C(Br)C=C1	REAL300018282466	0	42	0.0	-34.51	364.17	11.16	-23.35
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=C(Br)C=C1	REAL300018282468	0	43	0.0	-35.57	354.57	7.32	-28.25
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282469	0	42	0.0	-30.84	357.52	9.33	-21.51
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282470	0	33	0.0	-33.54	297.33	7.13	-26.41
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=C(Br)C=C1	REAL300018282471	0	43	0.0	-35.14	364.38	9.41	-25.73
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282472	0	44	0.0	-31.82	381.66	9.06	-22.76
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1Cl	REAL300018282473	0	37	0.0	-31.81	340.28	9.36	-22.45
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282474	0	36	0.0	-34.20	322.43	6.34	-27.86
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(Br)C=C1	REAL300018282475	0	38	0.0	-33.14	329.41	9.74	-23.40
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=C(Br)C=C1	REAL300018282477	0	39	0.0	-33.02	339.63	8.77	-24.25
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=C(Br)C=C1	REAL300018282478	0	42	0.0	-27.53	356.96	9.53	-18.00
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=C(Br)C=C1	REAL300018282479	0	40	0.0	-31.99	356.12	11.80	-20.19
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=C(Br)C=C1	REAL300018282480	0	40	0.0	-32.08	354.36	11.71	-20.37
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(Br)C=C1	REAL300018282481	0	41	0.0	-35.72	364.55	10.82	-24.90
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282482	0	43	0.0	-29.97	369.53	10.59	-19.38
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282483	0	35	0.0	-43.23	300.21	9.44	-33.79
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282484	0	42	0.0	-32.64	374.02	11.08	-21.56
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)C=NC2=NN1	REAL300018282485	0	38	0.0	-44.80	339.75	8.08	-36.72
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282486	0	34	0.0	-34.59	308.15	7.55	-27.04
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=C(Br)C=C1	REAL300018282488	0	36	0.0	-36.24	323.55	10.00	-26.24
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282490	0	43	0.0	-30.01	365.96	10.42	-19.59
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282494	0	42	0.0	-32.52	359.93	11.74	-20.78
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282495	0	45	0.0	-31.42	373.03	12.27	-19.15
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282496	0	45	0.0	-31.40	373.03	12.29	-19.11
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(Br)C=C1	REAL300018282497	0	36	0.0	-31.89	305.94	9.04	-22.85
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Br)C=C1	REAL300018282498	1	45	0.0	-52.73	364.73	10.04	-42.69
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=C(Br)C=C1	REAL300018282500	0	37	0.0	-35.06	332.72	7.97	-27.09
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=C(Br)C=C1	REAL300018282501	0	36	0.0	-36.38	338.45	10.52	-25.86
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282503	1	47	0.0	-50.41	368.72	9.83	-40.58
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C(C)S1	REAL300018282504	0	36	0.0	-29.69	325.77	10.08	-19.61
CC([NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCC1	REAL300018282505	0	39	0.0	-30.92	311.88	9.39	-21.53
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282506	0	39	0.0	-34.90	353.85	10.35	-24.55
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282507	1	47	0.0	-53.48	364.05	9.37	-44.11
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=C1SC	REAL300018282508	0	41	0.0	-33.79	365.59	9.91	-23.88
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(Br)C=C1	REAL300018282509	0	40	0.0	-35.40	356.08	9.49	-25.91
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282510	0	39	0.0	-30.22	310.39	9.54	-20.68
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282512	0	36	0.0	-26.28	306.34	7.25	-19.03
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282513	0	45	0.0	-33.12	369.84	12.23	-20.89
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282515	0	39	0.0	-29.64	319.04	9.51	-20.13
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C2=CC=CC=C21	REAL300018282516	0	39	0.0	-33.91	345.33	9.44	-24.47
CN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282517	1	33	0.0	-29.38	299.58	7.27	-22.11
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=C(Br)C=C1	REAL300018282518	0	36	0.0	-35.17	323.57	8.17	-27.00
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1F	REAL300018282519	0	41	0.0	-32.36	357.59	9.11	-23.25
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=C(Br)C=C1	REAL300018282520	1	36	0.0	-30.27	331.93	8.99	-21.28
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=CC=C2O1	REAL300018282521	0	44	0.0	-32.87	374.09	10.81	-22.06
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282524	0	36	0.0	-33.77	321.56	9.80	-23.97
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282526	0	35	0.0	-31.04	307.24	8.31	-22.73
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282527	0	42	0.0	-25.87	348.73	10.26	-15.61
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)N1C	REAL300018282528	0	41	0.0	-34.58	349.15	8.95	-25.63
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282530	0	39	0.0	-26.16	326.61	8.00	-18.16
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282531	0	46	0.0	-32.16	389.66	11.29	-20.87
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282532	0	44	0.0	-34.59	380.37	9.03	-25.56
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282533	0	42	0.0	-25.58	340.69	8.35	-17.23
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=C(Br)C=C1	REAL300018282534	0	34	0.0	-33.90	285.23	6.53	-27.37
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282535	0	45	0.0	-30.50	350.34	10.76	-19.74
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282536	0	44	0.0	-29.01	359.66	10.46	-18.55
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=C(Br)C=C1	REAL300018282537	0	40	0.0	-30.85	342.22	11.48	-19.37
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282538	0	42	0.0	-27.84	343.15	11.23	-16.61
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282539	0	42	0.0	-28.01	348.15	11.47	-16.54
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)OCO2	REAL300018282540	0	40	0.0	-31.03	350.84	7.58	-23.45
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282542	0	46	0.0	-29.86	389.64	11.29	-18.57
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=C(Br)C=C1	REAL300018282543	0	39	0.0	-32.09	339.84	11.65	-20.44
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=C(Br)C=C1	REAL300018282544	0	40	0.0	-33.80	330.11	8.11	-25.69
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=C(Br)C=C1	REAL300018282545	0	37	0.0	-34.65	315.34	9.54	-25.11
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=C(Br)C=C1	REAL300018282546	0	42	0.0	-30.94	327.68	10.22	-20.72
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=C2O1	REAL300018282547	0	44	0.0	-26.10	372.01	10.73	-15.37
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=C(Br)C=C1	REAL300018282549	0	32	0.0	-32.72	303.21	8.26	-24.46
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=NN1C	REAL300018282550	1	36	0.0	-34.09	319.04	7.73	-26.36
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282551	0	37	0.0	-34.13	328.34	8.12	-26.01
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=C(Br)C=C1	REAL300018282552	0	40	0.0	-31.39	353.11	10.70	-20.69
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282554	0	36	0.0	-32.73	312.16	9.67	-23.06
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)N1C	REAL300018282555	0	36	0.0	-35.17	316.33	8.53	-26.64
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=C(Br)C=C1	REAL300018282556	0	38	0.0	-34.78	337.68	10.04	-24.74
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=C(Br)C=C1	REAL300018282557	0	37	0.0	-35.27	322.71	9.15	-26.12
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282558	0	41	0.0	-44.59	350.29	5.38	-39.21
O=C([O-])C([NH2+]CC1=CC=C(F)C=N1)C1=CC=C(Br)C=C1	REAL300018282559	0	32	0.0	-27.95	296.76	7.78	-20.17
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282561	0	37	0.0	-32.14	330.67	8.87	-23.27
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282562	0	37	0.0	-36.39	315.85	6.98	-29.41
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282563	0	43	0.0	-34.20	368.31	9.52	-24.68
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=CO1	REAL300018282565	0	33	0.0	-31.46	295.23	8.32	-23.14
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(Cl)=C1	REAL300018282566	0	36	0.0	-30.14	327.28	10.58	-19.56
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(Br)C=C1	REAL300018282567	0	35	0.0	-38.55	335.42	10.55	-28.00
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=C(Br)C=C1	REAL300018282568	0	36	0.0	-37.16	333.60	10.82	-26.34
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282570	0	38	0.0	-45.74	348.92	8.16	-37.58
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(Br)C=C1	REAL300018282571	0	35	0.0	-31.07	336.76	10.71	-20.36
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CCO1	REAL300018282572	0	40	0.0	-31.28	328.53	8.14	-23.14
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CCO1	REAL300018282573	0	43	0.0	-30.87	344.90	8.65	-22.22
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=C(Br)C=C1	REAL300018282574	0	43	0.0	-29.71	357.45	12.00	-17.71
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=C(Br)C=C1	REAL300018282575	0	52	0.0	-27.87	385.91	12.74	-15.13
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282576	0	47	0.0	-31.07	366.88	10.87	-20.20
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282577	0	36	0.0	-28.04	300.08	9.29	-18.75
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282578	0	42	0.0	-33.43	354.10	11.55	-21.88
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282580	0	46	0.0	-29.27	375.16	10.65	-18.62
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCCC1	REAL300018282581	0	45	0.0	-30.87	350.60	10.95	-19.92
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282582	0	38	0.0	-39.73	349.56	4.50	-35.23
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=C(Br)C=C1	REAL300018282584	0	40	0.0	-33.10	346.69	11.48	-21.62
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(C)=C1	REAL300018282586	0	43	0.0	-30.19	357.85	10.25	-19.94
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282587	0	40	0.0	-31.02	346.25	9.59	-21.43
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=C(Br)C=C1	REAL300018282588	0	43	0.0	-34.00	361.57	11.87	-22.13
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282590	0	37	0.0	-30.48	342.23	8.40	-22.08
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)S1	REAL300018282591	0	39	0.0	-27.71	350.48	11.00	-16.71
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)N=C1	REAL300018282592	0	35	0.0	-27.31	313.12	8.39	-18.92
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018282595	0	38	0.0	-33.87	334.30	10.68	-23.19
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=C1Cl	REAL300018282596	0	37	0.0	-33.95	342.21	9.42	-24.53
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CS1	REAL300018282597	0	33	0.0	-29.56	306.62	9.26	-20.30
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=C(Br)C=C1	REAL300018282598	0	36	0.0	-34.32	324.04	9.89	-24.43
O=C([O-])C([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=C(Br)C=C1	REAL300018282599	1	40	0.0	-29.66	355.59	10.68	-18.98
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=C(Br)C=C1	REAL300018282600	0	32	0.0	-33.97	322.77	7.97	-26.00
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282601	0	34	0.0	-29.46	288.87	8.38	-21.08
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282602	0	39	0.0	-33.57	338.64	8.63	-24.94
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282604	0	39	0.0	-30.09	339.56	11.00	-19.09
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=C(Br)C=C1	REAL300018282606	0	37	0.0	-33.17	335.07	11.11	-22.06
CC1=NC=CN=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282607	0	34	0.0	-27.55	299.66	6.24	-21.31
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=C(Br)C=C1	REAL300018282608	0	40	0.0	-31.21	326.85	10.24	-20.97
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=C(Br)C=C1	REAL300018282609	0	38	0.0	-34.50	334.18	6.86	-27.64
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=C(Br)C=C1	REAL300018282610	0	36	0.0	-31.87	338.31	10.44	-21.43
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=C(Br)C=C1	REAL300018282611	0	40	0.0	-26.88	299.93	10.43	-16.45
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=CN=C12	REAL300018282612	0	39	0.0	-32.25	344.97	10.59	-21.66
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CN=C1Cl	REAL300018282614	0	33	0.0	-34.82	311.72	8.40	-26.42
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=C(Br)C=C1	REAL300018282615	0	33	0.0	-35.10	316.42	6.87	-28.23
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=C(Br)C=C1	REAL300018282617	0	37	0.0	-32.16	333.78	9.55	-22.61
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=C(Br)C=C1	REAL300018282618	0	37	0.0	-33.34	333.68	9.55	-23.79
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282619	0	39	0.0	-28.10	345.73	7.15	-20.95
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282620	0	36	0.0	-29.07	325.54	10.61	-18.46
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=C(Br)C=C1	REAL300018282621	0	35	0.0	-35.20	326.87	9.25	-25.95
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)N21	REAL300018282622	0	39	0.0	-29.32	324.54	10.12	-19.20
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282623	0	45	0.0	-30.30	366.12	11.45	-18.85
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282624	0	42	0.0	-30.29	345.29	10.71	-19.58
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282625	0	36	0.0	-32.86	334.82	10.73	-22.13
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282626	0	40	0.0	-32.38	351.77	9.30	-23.08
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282627	0	45	0.0	-26.67	349.99	8.51	-18.16
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=C(Br)C=C1	REAL300018282628	0	38	0.0	-36.45	344.10	10.01	-26.44
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC2=CC=CN=C12	REAL300018282629	0	41	0.0	-35.62	356.00	10.69	-24.93
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282630	0	45	0.0	-30.98	350.07	10.61	-20.37
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1C	REAL300018282632	0	46	0.0	-32.13	389.61	11.34	-20.79
COC1=C(C)C=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1C	REAL300018282633	0	42	0.0	-32.71	359.38	8.38	-24.33
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282634	0	42	0.0	-31.14	333.88	10.18	-20.96
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282635	0	35	0.0	-29.41	311.32	7.67	-21.74
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=C(Br)C=C1	REAL300018282636	0	36	0.0	-35.50	330.87	10.50	-25.00
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=C(Br)C=C1	REAL300018282638	0	40	0.0	-29.42	340.89	11.39	-18.03
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=C(Br)C=C1	REAL300018282641	0	38	0.0	-33.45	334.41	9.84	-23.61
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=NN1C	REAL300018282642	0	36	0.0	-30.94	317.23	7.79	-23.15
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=C(Br)C=C1	REAL300018282643	0	40	0.0	-26.47	297.80	10.34	-16.13
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282645	0	42	0.0	-30.54	335.71	9.99	-20.55
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282647	0	39	0.0	-32.37	341.04	7.91	-24.46
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282648	0	40	0.0	-32.22	353.15	9.83	-22.39
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282649	0	43	0.0	-35.35	360.85	10.12	-25.23
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282650	0	40	0.0	-31.61	347.69	9.19	-22.42
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Br)C=C1	REAL300018282651	1	42	0.0	-50.79	336.87	8.88	-41.91
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(Br)C=C1	REAL300018282651	1	42	0.0	-52.08	338.97	8.97	-43.11
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=C(Br)C=C1	REAL300018282652	0	49	0.0	-31.07	362.74	11.37	-19.70
CC([NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)C(C)C1=CC=CC=C1	REAL300018282653	0	42	0.0	-31.78	345.20	11.15	-20.63
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=C(Br)C=C1	REAL300018282654	0	41	0.0	-35.80	349.48	10.61	-25.19
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=C(Br)C=C1	REAL300018282655	0	40	0.0	-29.34	344.91	9.59	-19.75
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282656	0	41	0.0	-33.84	348.33	9.87	-23.97
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282657	0	42	0.0	-29.37	354.97	11.43	-17.94
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=C(Br)C=C1	REAL300018282660	0	47	0.0	-32.74	353.67	9.00	-23.74
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1C	REAL300018282661	0	39	0.0	-31.58	332.09	7.64	-23.94
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=C(Br)C=C1	REAL300018282663	0	36	0.0	-32.90	337.07	10.79	-22.11
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=C(Br)C=C1	REAL300018282665	0	33	0.0	-35.03	327.53	9.87	-25.16
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)NC2=CC=C1	REAL300018282666	0	40	0.0	-32.61	348.20	10.12	-22.49
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282667	0	43	0.0	-34.13	347.85	8.84	-25.29
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=C(Br)C=C1	REAL300018282668	0	33	0.0	-31.96	327.30	9.71	-22.25
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(C)=C1	REAL300018282669	0	46	0.0	-29.92	379.35	11.04	-18.88
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282671	0	37	0.0	-31.18	307.26	9.44	-21.74
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=C(Br)C=C1	REAL300018282672	0	46	0.0	-31.12	352.55	11.04	-20.08
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=C(Br)C=C1	REAL300018282673	0	35	0.0	-34.79	324.17	8.60	-26.19
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=C(Br)C=C1	REAL300018282674	0	43	0.0	-30.44	347.03	11.53	-18.91
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282675	0	45	0.0	-30.71	341.76	10.24	-20.47
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=C(Br)C=C1	REAL300018282676	0	43	0.0	-35.04	347.13	11.52	-23.52
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(C(F)F)=N1	REAL300018282677	0	36	0.0	-36.16	327.50	8.21	-27.95
CC([NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCCCC1	REAL300018282678	0	45	0.0	-29.25	340.71	10.78	-18.47
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282679	0	48	0.0	-30.74	356.90	10.75	-19.99
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=C(Br)C=C1	REAL300018282680	0	41	0.0	-30.27	343.51	9.52	-20.75
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=C(Br)C=C1	REAL300018282681	0	40	0.0	-35.11	350.97	11.72	-23.39
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282682	0	42	0.0	-38.44	358.93	11.21	-27.23
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282683	0	38	0.0	-37.19	350.86	4.52	-32.67
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282684	0	39	0.0	-30.68	334.59	8.81	-21.87
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)NC2=C1	REAL300018282685	0	40	0.0	-32.77	349.96	10.17	-22.60
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=C(Br)C=C1	REAL300018282686	0	37	0.0	-31.90	321.86	8.14	-23.76
O=C([O-])C([NH2+]CC1=NN2CCCC2=C1)C1=CC=C(Br)C=C1	REAL300018282687	1	37	0.0	-35.03	323.23	8.07	-26.96
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282689	0	42	0.0	-30.61	338.31	10.33	-20.28
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282691	0	42	0.0	-30.62	325.40	9.87	-20.75
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282692	0	45	0.0	-31.91	344.62	10.61	-21.30
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282693	0	45	0.0	-31.31	336.17	10.15	-21.16
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC1	REAL300018282694	0	51	0.0	-31.98	374.32	11.33	-20.65
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CCN1C	REAL300018282695	0	41	0.0	-30.60	327.93	6.95	-23.65
CC1CC(NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@@H+]1C	REAL300018282695	1	41	0.0	-58.28	326.87	8.03	-50.25
CC1CC(NC(C(=O)[O-])C2=CC=C(Br)C=C2)CC[N@H+]1C	REAL300018282695	1	41	0.0	-48.68	319.61	7.78	-40.90
CC([NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)C1CCCO1	REAL300018282697	0	37	0.0	-26.07	304.84	7.29	-18.78
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282698	0	40	0.0	-30.97	349.82	9.23	-21.74
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282700	0	39	0.0	-34.94	339.59	11.02	-23.92
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1OC	REAL300018282701	0	44	0.0	-32.00	366.82	9.26	-22.74
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=C(Br)C=C1	REAL300018282702	0	40	0.0	-28.87	335.91	11.45	-17.42
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=C(Br)C=C1	REAL300018282703	0	36	0.0	-33.93	330.08	10.45	-23.48
CC1=CC(C)=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282704	0	42	0.0	-34.84	361.03	11.67	-23.17
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282705	0	39	0.0	-32.05	343.50	10.61	-21.44
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C(Br)C=C1	REAL300018282706	0	39	0.0	-37.05	352.86	7.80	-29.25
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282707	0	39	0.0	-32.35	334.64	8.60	-23.75
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=CN=C21	REAL300018282708	0	38	0.0	-37.17	340.99	8.70	-28.47
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282709	0	42	0.0	-33.90	361.07	11.72	-22.18
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282710	0	47	0.0	-30.50	368.74	8.56	-21.94
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282711	0	39	0.0	-35.69	340.58	8.85	-26.84
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=C(Br)C=C1	REAL300018282714	0	32	0.0	-37.82	297.94	7.72	-30.10
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=C(Br)C=C1	REAL300018282715	0	44	0.0	-29.73	341.74	9.09	-20.64
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)C2)CO1	REAL300018282716	0	44	0.0	-32.54	360.61	9.06	-23.48
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)C2)CO1	REAL300018282717	0	41	0.0	-35.72	333.03	8.15	-27.57
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=C(Br)C=C1	REAL300018282718	0	41	0.0	-31.38	340.86	9.77	-21.61
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=C(Br)C=C1	REAL300018282719	0	40	0.0	-35.58	339.64	10.72	-24.86
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=C21	REAL300018282720	0	39	0.0	-33.05	333.16	10.75	-22.30
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282721	0	40	0.0	-28.22	335.99	9.32	-18.90
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282724	0	39	0.0	-28.23	327.14	10.76	-17.47
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282725	0	36	0.0	-33.26	322.57	10.24	-23.02
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(C)=C1C	REAL300018282726	0	42	0.0	-28.00	341.24	11.13	-16.87
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=C(Br)C=C1	REAL300018282727	0	43	0.0	-30.13	352.74	9.97	-20.16
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=CC=C21	REAL300018282729	0	45	0.0	-31.21	374.06	10.13	-21.08
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1)CC2	REAL300018282730	0	50	0.0	-32.20	383.20	9.87	-22.33
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=C1C1CC1	REAL300018282731	0	43	0.0	-29.93	361.78	12.13	-17.80
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=N1	REAL300018282732	0	39	0.0	-35.21	343.70	7.15	-28.06
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1C1CC1	REAL300018282733	0	43	0.0	-30.05	361.19	12.13	-17.92
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=C(Br)C=C1	REAL300018282734	0	40	0.0	-31.06	331.77	10.48	-20.58
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)C=C2C1C	REAL300018282737	0	44	0.0	-32.85	370.09	10.67	-22.18
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282738	0	43	0.0	-32.59	364.58	8.87	-23.72
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)NN=C1C(F)(F)F	REAL300018282739	0	36	0.0	-34.31	332.75	7.39	-26.92
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=C(Br)C=C1	REAL300018282740	0	43	0.0	-31.00	337.99	10.53	-20.47
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1O	REAL300018282741	0	37	0.0	-32.51	325.85	7.41	-25.10
O=C([O-])C([NH2+]CC1=CN(CC2CC2)N=N1)C1=CC=C(Br)C=C1	REAL300018282743	1	39	0.0	-30.28	344.92	8.43	-21.85
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=C(Br)C=C1	REAL300018282744	0	38	0.0	-30.60	330.60	9.35	-21.25
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=C(Br)C=C1	REAL300018282746	0	41	0.0	-31.34	348.47	9.59	-21.75
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=C(Br)C=C1	REAL300018282747	0	41	0.0	-35.59	359.05	9.35	-26.24
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282748	0	37	0.0	-29.45	334.97	10.52	-18.93
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=C(Br)C=C1	REAL300018282749	0	40	0.0	-34.96	350.26	11.59	-23.37
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)CC21	REAL300018282750	0	40	0.0	-28.01	320.90	10.05	-17.96
CCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282751	1	36	0.0	-28.90	319.79	8.11	-20.79
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=C(Br)C=C1	REAL300018282752	0	40	0.0	-27.89	360.58	11.78	-16.11
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=C(Br)C=C1	REAL300018282753	0	41	0.0	-31.87	355.93	10.51	-21.36
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282756	1	39	0.0	-28.59	341.29	8.87	-19.72
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282758	0	44	0.0	-30.70	366.16	10.00	-20.70
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=C(Br)C=C1	REAL300018282759	1	36	0.0	-32.71	338.99	8.63	-24.08
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=N1	REAL300018282761	0	35	0.0	-33.86	311.32	8.29	-25.57
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=C(Br)C=C1	REAL300018282762	0	38	0.0	-33.75	335.91	9.93	-23.82
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=CC=C1C	REAL300018282763	0	39	0.0	-34.83	342.06	6.89	-27.94
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=C(Br)C=C1	REAL300018282764	0	36	0.0	-29.69	333.95	10.46	-19.23
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=C(Br)C=C1	REAL300018282765	0	41	0.0	-31.42	339.64	9.46	-21.96
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282766	0	40	0.0	-29.95	362.10	10.33	-19.62
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282768	0	42	0.0	-31.96	358.03	9.33	-22.63
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=C(Br)C=C1	REAL300018282769	0	46	0.0	-33.64	379.40	10.56	-23.08
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=C(Br)C=C1	REAL300018282770	0	43	0.0	-29.06	340.96	10.78	-18.28
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282771	0	39	0.0	-31.28	335.85	6.79	-24.49
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)C2)=C1	REAL300018282773	0	44	0.0	-35.27	368.88	10.57	-24.70
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)C2)=N1	REAL300018282774	0	38	0.0	-37.48	335.93	7.03	-30.45
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=C(Br)C=C1	REAL300018282775	0	44	0.0	-33.70	353.36	9.11	-24.59
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282776	0	39	0.0	-28.81	333.03	10.39	-18.42
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=C(Br)C=C1	REAL300018282777	0	40	0.0	-36.89	353.78	9.51	-27.38
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=C(Br)C=C1	REAL300018282778	0	46	0.0	-30.32	387.78	13.09	-17.23
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(C)=C1	REAL300018282779	0	46	0.0	-34.13	371.26	10.31	-23.82
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=NN1CC	REAL300018282780	0	42	0.0	-28.92	354.41	9.44	-19.48
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C(C(F)(F)F)=CO1	REAL300018282781	0	36	0.0	-25.35	333.79	9.28	-16.07
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282782	0	39	0.0	-30.34	347.96	11.03	-19.31
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=C(Br)C=C1	REAL300018282783	0	46	0.0	-29.02	348.36	11.08	-17.94
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)CC2=CC=CC=C21	REAL300018282784	0	46	0.0	-34.85	357.00	11.78	-23.07
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=C(Br)C=C1	REAL300018282785	0	41	0.0	-32.37	350.38	9.65	-22.72
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=C(Br)C=C1	REAL300018282786	0	39	0.0	-37.23	349.98	7.70	-29.53
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=C(Br)C=C1	REAL300018282787	0	36	0.0	-35.21	320.82	9.04	-26.17
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)N=C1	REAL300018282788	0	38	0.0	-27.19	334.60	9.14	-18.05
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=C(Br)C=C1	REAL300018282789	0	38	0.0	-35.26	337.67	10.04	-25.22
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Br)C=C3)=C2O1	REAL300018282790	0	39	0.0	-27.40	344.59	10.68	-16.72
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1F	REAL300018282791	0	43	0.0	-32.78	370.28	10.43	-22.35
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1	REAL300018282792	0	46	0.0	-29.92	381.56	10.57	-19.35
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=C(Br)C=C1	REAL300018282793	0	36	0.0	-33.77	329.27	8.21	-25.56
O=C([O-])C([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=C(Br)C=C1	REAL300018282795	1	40	0.0	-33.58	340.86	9.08	-24.50
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=C(Br)C=C1	REAL300018282796	1	36	0.0	-31.11	332.78	8.40	-22.71
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=C(Br)C=C1	REAL300018282797	1	37	0.0	-31.87	342.63	9.00	-22.87
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=C(Br)C=C1	REAL300018282799	0	43	0.0	-31.80	329.59	10.31	-21.49
O=C([O-])C([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=C(Br)C=C1	REAL300018282800	1	43	0.0	-27.89	362.47	9.91	-17.98
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=C(Br)C=C1	REAL300018282801	0	36	0.0	-30.34	330.44	9.96	-20.38
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=C(Br)C=C1	REAL300018282802	0	36	0.0	-32.36	339.45	10.37	-21.99
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=C(Br)C=C1	REAL300018282803	0	37	0.0	-31.79	325.79	10.80	-20.99
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282805	0	43	0.0	-31.06	364.43	9.93	-21.13
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282806	0	41	0.0	-32.30	356.09	10.21	-22.09
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=C(Br)C=C1	REAL300018282807	0	41	0.0	-35.55	363.94	9.85	-25.70
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282808	0	40	0.0	-37.49	358.69	8.79	-28.70
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C1	REAL300018282809	0	47	0.0	-31.58	358.94	8.02	-23.56
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=C(Br)C=C1	REAL300018282810	0	42	0.0	-28.56	364.98	11.13	-17.43
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=C(Br)C=C1	REAL300018282811	0	36	0.0	-32.77	324.69	10.39	-22.38
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=C(Br)C=C1	REAL300018282812	0	36	0.0	-32.12	331.68	10.88	-21.24
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=C(Br)C=C1	REAL300018282813	0	42	0.0	-34.66	364.80	11.20	-23.46
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018282814	0	39	0.0	-32.35	334.64	8.60	-23.75
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC=C(Br)C=C1	REAL300018282815	0	41	0.0	-30.79	330.69	10.61	-20.18
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=N1	REAL300018282816	0	37	0.0	-35.27	331.91	8.72	-26.55
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=C(Br)C=C1	REAL300018282817	0	36	0.0	-33.68	321.00	8.21	-25.47
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)C=C1	REAL300018282818	0	45	0.0	-29.92	374.06	12.13	-17.79
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CC=C(Br)C=C1	REAL300018282819	0	44	0.0	-33.33	346.79	8.78	-24.55
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CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C=C2)=C1C	REAL300018282825	0	42	0.0	-30.11	359.72	9.38	-20.73
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CCC1CCCC(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C1	REAL300018282835	0	48	0.0	-38.42	341.56	11.89	-26.53
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CC(C)C1=CN=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282836	1	41	0.0	-36.75	338.58	9.80	-26.95
CC(C)C1=CN=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282836	1	41	0.0	-33.27	343.94	10.07	-23.20
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CC(C)C1=CC=C(CC[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300018282841	0	48	0.0	-39.83	377.80	13.56	-26.27
CC(C)C1=CC=C(CC[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300018282841	1	48	0.0	-32.56	378.37	13.56	-19.00
CC1=CN2C=C(C[N@H+](CC(=O)[O-])CC3=CC=C(F)C=C3)N=C2C=C1	REAL300018282842	1	42	0.0	-28.85	337.47	11.45	-17.40
CC1=CN2C=C(C[N@@H+](CC(=O)[O-])CC3=CC=C(F)C=C3)N=C2C=C1	REAL300018282842	1	42	0.0	-36.08	345.03	12.25	-23.83
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C[NH+](C)CC1=CN=C(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282846	1	43	0.0	-60.01	353.14	7.48	-52.53
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C[NH+](C)CC1=CC(CN(CC(=O)[O-])CC2=CC=C(F)C=C2)=NO1	REAL300018282850	1	43	0.0	-74.96	344.88	7.84	-67.12
CN(C)C1=NC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282852	0	43	0.0	-36.76	342.83	10.07	-26.69
CN(C)C1=NC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282852	1	43	0.0	-34.84	344.89	9.94	-24.90
COCCOCC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300018282853	0	50	0.0	-37.90	406.25	10.74	-27.16
COCCOCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300018282853	1	50	0.0	-36.66	406.22	10.74	-25.92
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282854	1	44	0.0	-27.45	375.58	11.77	-15.68
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282854	1	44	0.0	-23.68	359.29	11.94	-11.74
O=C([O-])C[N@H+](CC1=CC=C(F)C=C1)CC1=CC=C(C2CCCC2)C=C1	REAL300018282855	0	49	0.0	-34.49	379.85	13.99	-20.50
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COC1=CC=C(F)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282856	0	40	0.0	-34.88	329.66	10.28	-24.60
COC1=CC=C(F)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282856	1	40	0.0	-33.77	331.15	10.25	-23.52
O=C([O-])C[N@H+](CC1=CN(CC(F)F)N=C1)CC1=CC=C(F)C=C1	REAL300018282857	0	39	0.0	-40.70	333.70	9.70	-31.00
O=C([O-])C[N@@H+](CC1=CN(CC(F)F)N=C1)CC1=CC=C(F)C=C1	REAL300018282857	1	39	0.0	-37.92	333.44	9.71	-28.21
CN1N=CC=C1C1=CC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282858	0	46	0.0	-37.40	363.33	11.58	-25.82
CN1N=CC=C1C1=CC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282858	1	46	0.0	-36.07	363.76	11.30	-24.77
O=C([O-])C[N@H+](CC1=CC=C(F)C=C1)CC1=CC=C(C2CCC2)C=C1	REAL300018282859	0	46	0.0	-34.70	361.21	13.36	-21.34
O=C([O-])C[N@@H+](CC1=CC=C(F)C=C1)CC1=CC=C(C2CCC2)C=C1	REAL300018282859	1	46	0.0	-33.39	361.47	13.37	-20.02
O=C([O-])C[N@H+](CC1=CC=C(F)C=C1)CC1=C(Cl)C=CC=C1N1CCOCC1	REAL300018282860	0	49	0.0	-28.76	390.41	10.72	-18.04
O=C([O-])C[N@@H+](CC1=CC=C(F)C=C1)CC1=C(Cl)C=CC=C1N1CCOCC1	REAL300018282860	1	49	0.0	-30.15	380.95	10.06	-20.09
CC1CN(C2=CC=CC=C2C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)CCO1	REAL300018282861	0	52	0.0	-32.42	392.60	10.64	-21.78
CC1CN(C2=CC=CC=C2C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)CCO1	REAL300018282861	1	52	0.0	-31.66	395.34	10.82	-20.84
CC1=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)N2C(C3CC3)=CSC2=N1	REAL300018282862	0	46	0.0	-32.80	368.99	12.59	-20.21
CC1=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)N2C(C3CC3)=CSC2=N1	REAL300018282862	1	46	0.0	-34.58	366.05	12.18	-22.40
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O=C([O-])C[N@@H+](CC1=CC=C(F)C=C1)CC1=CC=C2CCCC2=N1	REAL300018282863	1	42	0.0	-33.32	336.80	11.21	-22.11
CC1=CC=CC=C1C1=CC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282864	0	49	0.0	-32.36	378.89	14.33	-18.03
CC1=CC=CC=C1C1=CC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282864	1	49	0.0	-25.69	379.54	14.22	-11.47
O=C([O-])C[N@H+](CC1=CC=NN1C1CCCC1)CC1=CC=C(F)C=C1	REAL300018282865	0	46	0.0	-36.66	353.42	10.95	-25.71
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CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282867	0	46	0.0	-36.93	377.96	12.60	-24.33
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282867	1	46	0.0	-39.14	382.23	12.65	-26.49
CC1=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)=CC=C1C(F)(F)F	REAL300018282868	0	42	0.0	-37.00	342.79	11.86	-25.14
CC1=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)=CC=C1C(F)(F)F	REAL300018282868	1	42	0.0	-38.20	349.98	12.30	-25.90
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CCC1=CC=CC(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)=C1O	REAL300018282870	0	43	0.0	-33.20	346.43	9.59	-23.61
CCC1=CC=CC(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)=C1O	REAL300018282870	1	43	0.0	-30.28	341.54	9.11	-21.17
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CCCCOC1=CC=CC=C1C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282872	0	49	0.0	-35.05	388.02	12.76	-22.29
CCCCOC1=CC=CC=C1C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1	REAL300018282872	1	49	0.0	-31.90	389.64	12.70	-19.20
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COC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1OC	REAL300018282875	0	44	0.0	-37.86	354.44	9.99	-27.87
COC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1OC	REAL300018282875	1	44	0.0	-37.25	346.83	9.51	-27.74
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CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1OC	REAL300018282877	0	47	0.0	-37.03	368.93	10.45	-26.58
CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1OC	REAL300018282877	1	47	0.0	-39.06	376.27	10.90	-28.16
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CCC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1	REAL300018282878	1	42	0.0	-33.38	338.57	12.22	-21.16
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O=C([O-])C[N@H+](CC1=C(Cl)C=CS1)CC1=CC=C(F)C=C1	REAL300018282987	0	33	0.0	-31.23	301.37	10.36	-20.87
O=C([O-])C[N@@H+](CC1=C(Cl)C=CS1)CC1=CC=C(F)C=C1	REAL300018282987	1	33	0.0	-33.16	300.23	10.34	-22.82
CCOC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1F	REAL300018282988	0	43	0.0	-34.63	345.92	10.64	-23.99
CCOC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C=C1F	REAL300018282988	1	43	0.0	-34.86	345.67	10.63	-24.23
O=C([O-])C[N@H+](CC1=CN=C(C2=CC=CO2)S1)CC1=CC=C(F)C=C1	REAL300018282989	0	39	0.0	-39.33	337.18	9.51	-29.82
O=C([O-])C[N@@H+](CC1=CN=C(C2=CC=CO2)S1)CC1=CC=C(F)C=C1	REAL300018282989	1	39	0.0	-35.45	343.64	9.93	-25.52
O=C([O-])C[N@H+](CC1=CC2=CC=CC=C2N1)CC1=CC=C(F)C=C1	REAL300018282990	0	40	0.0	-37.89	328.59	10.72	-27.17
O=C([O-])C[N@@H+](CC1=CC2=CC=CC=C2N1)CC1=CC=C(F)C=C1	REAL300018282990	1	40	0.0	-36.94	321.50	10.28	-26.66
O=C([O-])C[N@H+](CC1=CC=NN1C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300018282991	0	43	0.0	-38.19	346.50	11.34	-26.85
O=C([O-])C[N@@H+](CC1=CC=NN1C1=CC=CC=C1)CC1=CC=C(F)C=C1	REAL300018282991	1	43	0.0	-30.82	345.66	11.23	-19.59
O=C([O-])C[N@H+](CC1=CC=C(F)C=C1)CC1(C2=CC=CC=C2)CCOC1	REAL300018282994	0	47	0.0	-31.00	347.20	10.78	-20.22
O=C([O-])C[N@@H+](CC1=CC=C(F)C=C1)CC1(C2=CC=CC=C2)CCOC1	REAL300018282994	1	47	0.0	-29.62	343.41	10.73	-18.89
CSC1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282995	0	37	0.0	-32.64	329.33	11.14	-21.50
CSC1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)S1	REAL300018282995	1	37	0.0	-33.75	329.38	11.14	-22.61
O=C([O-])C[N@H+](CC1=CC=C(F)C=C1)CC1=CC=C(OCCCCl)C=C1	REAL300018282996	0	46	0.0	-39.07	385.70	12.43	-26.64
O=C([O-])C[N@@H+](CC1=CC=C(F)C=C1)CC1=CC=C(OCCCCl)C=C1	REAL300018282996	1	46	0.0	-37.24	385.68	12.43	-24.81
CN1C=C(C2=CC=C(C[N@H+](CC(=O)[O-])CC3=CC=C(F)C=C3)C=C2)C=N1	REAL300018282997	0	46	0.0	-41.27	375.57	12.08	-29.19
CN1C=C(C2=CC=C(C[N@@H+](CC(=O)[O-])CC3=CC=C(F)C=C3)C=C2)C=N1	REAL300018282997	1	46	0.0	-39.23	375.81	12.08	-27.15
CN(C)C1=CC=C(C[N@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C(C(F)(F)F)=C1	REAL300018282998	0	47	0.0	-38.87	367.59	11.90	-26.97
CN(C)C1=CC=C(C[N@@H+](CC(=O)[O-])CC2=CC=C(F)C=C2)C(C(F)(F)F)=C1	REAL300018282998	1	47	0.0	-23.71	369.06	11.71	-12.00
CC(C)C(C[N@H+](CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300018282999	0	48	0.0	-30.33	363.96	12.76	-17.57
CC(C)C(C[N@@H+](CC(=O)[O-])CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300018282999	1	48	0.0	-28.33	364.48	12.78	-15.55
O=C([O-])C[N@H+](CC1=CC=NN1C1=CC=C(F)C=C1)CC1=CC=C(F)C=C1	REAL300018283000	0	43	0.0	-39.00	353.68	11.44	-27.56
O=C([O-])C[N@@H+](CC1=CC=NN1C1=CC=C(F)C=C1)CC1=CC=C(F)C=C1	REAL300018283000	1	43	0.0	-30.86	352.08	11.29	-19.57
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300018286299	0	36	0.0	-31.19	310.88	9.80	-21.39
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC(C)(C)C1	REAL300018286301	0	48	0.0	-33.11	356.23	10.38	-22.73
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CC(F)=CC=C1F	REAL300018286302	0	40	0.0	-34.09	341.78	11.05	-23.04
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286303	0	46	0.0	-33.48	372.91	11.23	-22.25
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(Cl)=C1OC	REAL300018286304	1	41	0.0	-29.42	361.37	8.89	-20.53
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286307	0	43	0.0	-31.51	353.86	9.89	-21.62
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286308	0	55	0.0	-31.35	443.44	13.19	-18.16
CC(C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)CC1=CC=C(C(C)(C)C)C=C1	REAL300018286309	0	54	0.0	-32.98	419.64	13.52	-19.46
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1F	REAL300018286310	0	36	0.0	-33.91	313.36	9.85	-24.06
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC(F)=CC=C1F	REAL300018286311	0	37	0.0	-30.77	315.97	9.04	-21.73
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286313	0	45	0.0	-30.10	365.78	11.72	-18.38
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=C2)C=C1	REAL300018286314	0	46	0.0	-31.98	379.77	13.18	-18.80
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC(C)=C1	REAL300018286315	0	39	0.0	-30.04	327.40	10.36	-19.68
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286316	1	37	0.0	-28.98	326.28	8.85	-20.13
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1[N+](=O)[O-]	REAL300018286317	1	39	0.0	-38.48	339.66	9.83	-28.65
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300018286318	1	33	0.0	-32.40	317.65	10.10	-22.30
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286319	0	46	0.0	-34.19	382.72	13.23	-20.96
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286320	0	37	0.0	-35.18	323.40	8.68	-26.50
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OCC	REAL300018286321	0	47	0.0	-35.96	389.10	10.19	-25.77
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286322	0	45	0.0	-32.97	339.98	10.22	-22.75
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286323	0	36	0.0	-38.02	336.04	10.51	-27.51
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC(F)=CC=C1F	REAL300018286324	1	33	0.0	-32.05	305.56	9.71	-22.34
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC(F)=CC=C1F	REAL300018286325	1	36	0.0	-35.02	323.74	8.20	-26.82
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC(F)=CC=C1F	REAL300018286326	0	38	0.0	-33.59	316.69	9.24	-24.35
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286327	0	37	0.0	-35.37	332.64	8.95	-26.42
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286328	1	39	0.0	-39.60	345.28	6.56	-33.04
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286329	0	47	0.0	-33.61	392.81	12.10	-21.51
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286330	0	46	0.0	-34.05	373.08	10.47	-23.58
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC(F)=CC=C1F	REAL300018286331	0	40	0.0	-35.86	347.45	11.39	-24.47
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286332	0	43	0.0	-33.02	375.52	12.97	-20.05
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC(F)=CC=C1F	REAL300018286333	0	43	0.0	-33.20	375.08	13.02	-20.18
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC(F)=CC=C1F	REAL300018286336	0	38	0.0	-33.45	320.03	8.94	-24.51
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC(F)=CC=C1F	REAL300018286337	1	30	0.0	-34.06	298.30	8.83	-25.23
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC(F)=CC=C1F	REAL300018286338	1	44	0.0	-33.95	358.52	8.95	-25.00
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286339	1	41	0.0	-40.50	360.23	5.86	-34.64
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC(F)=CC=C1F	REAL300018286340	0	37	0.0	-29.77	315.78	9.06	-20.71
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC(F)=CC=C1F	REAL300018286341	0	37	0.0	-34.21	318.04	9.13	-25.08
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286342	0	36	0.0	-30.01	307.28	9.48	-20.53
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC(F)=CC=C1F	REAL300018286343	1	36	0.0	-28.73	324.14	8.13	-20.60
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C2O1	REAL300018286344	0	47	0.0	-33.12	374.73	10.91	-22.21
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286345	0	48	0.0	-32.38	361.44	11.90	-20.48
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC(F)=CC=C1F	REAL300018286346	0	42	0.0	-36.34	353.38	10.74	-25.60
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC(F)=CC=C1F	REAL300018286347	0	42	0.0	-35.59	353.56	10.75	-24.84
C[NH+]1CCN(C2=CC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)CC1	REAL300018286348	1	50	0.0	-70.94	397.36	9.18	-61.76
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC(F)=CC=C1F	REAL300018286349	0	42	0.0	-36.61	368.01	7.60	-29.01
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC(F)=CC=C1F	REAL300018286350	0	43	0.0	-38.07	345.16	6.95	-31.12
O=C([O-])C([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=CC(F)=CC=C1F	REAL300018286351	0	48	0.0	-31.79	392.52	9.93	-21.86
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=CC(F)=CC=C1F	REAL300018286352	0	48	0.0	-31.73	392.77	10.12	-21.61
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC(F)=CC=C1F	REAL300018286353	0	47	0.0	-36.19	370.71	7.98	-28.21
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC(F)=CC=C1F	REAL300018286354	1	40	0.0	-33.97	349.84	10.32	-23.65
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC(F)=CC=C1F	REAL300018286355	1	40	0.0	-34.57	362.23	10.84	-23.73
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300018286356	1	42	0.0	-31.61	348.11	8.91	-22.70
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286357	0	40	0.0	-33.73	355.51	9.73	-24.00
O=C([O-])C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC(F)=CC=C1F	REAL300018286358	1	52	0.0	-72.12	418.75	11.03	-61.09
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC(F)=CC=C1F	REAL300018286360	1	43	0.0	-35.68	355.70	9.00	-26.68
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286361	0	46	0.0	-35.79	392.82	10.63	-25.16
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CC(F)=CC=C1F	REAL300018286362	0	46	0.0	-33.92	390.71	10.70	-23.22
C[NH+](C)CCOC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286363	1	48	0.0	-71.36	393.74	9.76	-61.60
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286364	0	44	0.0	-32.85	371.65	8.61	-24.24
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1Cl	REAL300018286365	0	37	0.0	-36.21	329.67	8.94	-27.27
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286368	1	36	0.0	-28.86	312.44	5.88	-22.98
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC(F)=CC=C1F	REAL300018286369	1	32	0.0	-35.30	301.64	7.84	-27.46
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC(F)=CC=C1F	REAL300018286371	0	38	0.0	-32.42	320.73	9.29	-23.13
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286372	0	40	0.0	-36.67	355.07	9.78	-26.89
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC(F)=CC=C1F	REAL300018286373	1	39	0.0	-29.55	329.57	8.32	-21.23
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC(F)=CC=C1F	REAL300018286374	1	42	0.0	-29.92	344.40	9.05	-20.87
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC(F)=CC=C1F	REAL300018286375	0	40	0.0	-32.98	346.11	11.34	-21.64
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1=CC(F)=CC=C1F	REAL300018286376	0	40	0.0	-32.86	350.67	11.44	-21.42
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC(F)=CC=C1F	REAL300018286377	0	40	0.0	-31.94	338.86	11.17	-20.77
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC(F)=CC=C1F	REAL300018286378	1	41	0.0	-35.61	353.76	10.32	-25.29
O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC(F)=CC=C1F	REAL300018286379	1	44	0.0	-36.98	364.83	7.50	-29.48
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286380	0	43	0.0	-29.86	357.44	10.06	-19.80
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286381	0	42	0.0	-32.76	363.23	10.59	-22.17
O=C([O-])C([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1=CC(F)=CC=C1F	REAL300018286383	0	40	0.0	-36.66	363.35	11.94	-24.72
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=NC2=NN1	REAL300018286384	0	38	0.0	-39.60	327.21	7.62	-31.98
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC(F)=CC=C1F	REAL300018286385	0	47	0.0	-34.34	380.74	11.35	-22.99
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC(F)=CC=C1F	REAL300018286387	1	36	0.0	-32.04	311.43	9.47	-22.57
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286389	0	43	0.0	-31.99	353.41	9.94	-22.05
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286395	0	42	0.0	-34.19	349.90	11.32	-22.87
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286396	0	45	0.0	-32.97	362.41	11.84	-21.13
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286397	0	45	0.0	-33.52	379.74	12.17	-21.35
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286398	0	45	0.0	-33.53	364.91	11.88	-21.65
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC(F)=CC=C1F	REAL300018286399	0	36	0.0	-33.34	295.23	8.64	-24.70
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286400	0	48	0.0	-33.81	381.97	9.68	-24.13
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286400	1	48	0.0	-49.69	378.42	10.95	-38.74
CC(C1=CC=CC=C1)[N@H+]1CCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286400	1	48	0.0	-54.86	378.34	10.83	-44.03
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC(F)=CC=C1F	REAL300018286401	0	45	0.0	-52.00	348.44	9.54	-42.46
O=C([O-])C([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1=CC(F)=CC=C1F	REAL300018286405	0	45	0.0	-32.02	368.81	9.71	-22.31
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC(F)=CC=C1F	REAL300018286406	0	37	0.0	-35.97	322.69	7.56	-28.41
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286409	0	47	0.0	-55.32	362.56	9.55	-45.77
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C(C)S1	REAL300018286410	0	36	0.0	-30.70	316.67	9.64	-21.06
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286412	1	37	0.0	-27.45	346.84	9.48	-17.97
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286413	0	39	0.0	-33.49	341.73	9.82	-23.67
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC	REAL300018286414	1	48	0.0	-37.31	400.43	9.21	-28.10
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC(F)=CC=C1F	REAL300018286415	0	47	0.0	-34.42	372.29	7.86	-26.56
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286416	0	47	0.0	-52.81	352.91	8.86	-43.95
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1SC	REAL300018286417	0	41	0.0	-35.74	355.56	9.50	-26.24
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1OC	REAL300018286418	0	50	0.0	-34.69	403.42	10.62	-24.07
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1OC	REAL300018286419	0	48	0.0	-35.33	397.03	10.57	-24.76
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OCCC(C)C	REAL300018286420	0	53	0.0	-35.52	427.81	11.37	-24.15
O=C([O-])C([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286421	0	54	0.0	-34.01	404.39	4.99	-29.02
O=C([O-])C(NC1CC[NH+](CCN2CCOCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286421	1	54	0.0	-55.46	404.76	6.42	-49.04
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1OC	REAL300018286422	0	47	0.0	-30.41	387.75	9.31	-21.10
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC(F)=CC=C1F	REAL300018286423	1	40	0.0	-34.85	344.01	8.96	-25.89
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286424	0	45	0.0	-34.98	353.49	11.52	-23.46
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286427	0	45	0.0	-36.01	382.24	12.21	-23.80
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1Cl	REAL300018286428	0	41	0.0	-37.01	366.93	10.51	-26.50
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C2OC(C)CC2=C1	REAL300018286430	1	45	0.0	-33.25	370.57	8.97	-24.28
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC(F)=CC=C1F	REAL300018286432	1	36	0.0	-35.33	313.56	7.72	-27.61
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300018286433	0	41	0.0	-36.16	345.06	8.64	-27.52
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286435	0	54	0.0	-57.19	393.02	10.95	-46.24
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286436	0	48	0.0	-33.07	393.08	12.77	-20.30
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C2O1	REAL300018286437	0	44	0.0	-32.65	362.00	10.29	-22.36
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286440	0	36	0.0	-30.12	306.85	9.35	-20.77
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC(C(F)(F)F)=C1	REAL300018286441	1	40	0.0	-33.62	354.90	9.41	-24.21
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C1=CC(F)=CC=C1F	REAL300018286442	1	33	0.0	-31.19	315.51	10.07	-21.12
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286443	0	42	0.0	-29.37	337.25	9.60	-19.77
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286446	0	46	0.0	-31.31	377.55	10.76	-20.55
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286447	0	44	0.0	-33.63	369.57	8.54	-25.09
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286448	0	42	0.0	-26.62	328.04	7.88	-18.74
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286449	0	42	0.0	-27.77	354.47	11.51	-16.26
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286450	0	45	0.0	-32.58	339.13	10.32	-22.26
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC(F)=CC=C1F	REAL300018286451	0	37	0.0	-36.39	341.93	9.27	-27.12
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286452	0	44	0.0	-30.44	352.71	10.11	-20.33
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC(F)=CC=C1F	REAL300018286453	0	40	0.0	-31.37	329.66	11.00	-20.37
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286454	0	42	0.0	-35.17	330.89	10.58	-24.59
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286455	0	42	0.0	-29.66	338.19	11.01	-18.65
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)OCO2	REAL300018286456	1	40	0.0	-30.79	338.78	7.06	-23.73
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC	REAL300018286457	1	41	0.0	-28.56	354.72	8.77	-19.79
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286459	0	46	0.0	-29.63	377.55	10.76	-18.87
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC(F)=CC=C1F	REAL300018286460	0	39	0.0	-31.98	333.22	11.28	-20.70
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC	REAL300018286461	1	45	0.0	-36.22	398.82	10.45	-25.77
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1CN1C=CC=N1	REAL300018286462	0	47	0.0	-38.37	398.86	10.13	-28.24
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC(F)=CC=C1F	REAL300018286463	0	37	0.0	-34.04	304.72	9.13	-24.91
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=C2O1	REAL300018286464	1	44	0.0	-27.92	363.97	10.31	-17.61
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC(F)=CC=C1F	REAL300018286467	1	32	0.0	-32.22	290.14	7.70	-24.52
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC(F)=CC=C1F	REAL300018286468	1	33	0.0	-33.41	314.38	9.80	-23.61
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286469	0	39	0.0	-28.79	327.68	11.10	-17.69
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300018286470	1	37	0.0	-34.14	317.55	7.62	-26.52
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC(F)=CC=C1F	REAL300018286471	0	40	0.0	-39.89	342.50	10.29	-29.60
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC(F)=CC=C1F	REAL300018286472	0	38	0.0	-36.48	327.67	9.62	-26.86
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286473	0	33	0.0	-33.57	318.17	9.54	-24.03
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC(F)=CC=C1F	REAL300018286475	1	37	0.0	-32.94	312.68	8.68	-24.26
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286476	0	41	0.0	-45.86	340.29	4.93	-40.93
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286477	1	37	0.0	-33.60	322.59	8.48	-25.12
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286478	0	37	0.0	-30.75	304.15	7.39	-23.36
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300018286479	1	43	0.0	-34.62	358.30	9.06	-25.56
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286480	0	49	0.0	-33.73	387.45	9.02	-24.71
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(Cl)=C1	REAL300018286481	1	36	0.0	-26.58	320.79	10.22	-16.36
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC(F)=CC=C1F	REAL300018286482	1	35	0.0	-39.14	324.82	10.14	-29.00
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300018286483	0	36	0.0	-36.89	324.89	10.43	-26.46
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1OC1=CC=CN=C1	REAL300018286484	0	46	0.0	-33.90	389.43	10.97	-22.93
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC(F)=CC=C1F	REAL300018286486	0	38	0.0	-27.98	341.11	10.07	-17.91
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC(F)=CC=C1F	REAL300018286487	1	38	0.0	-28.17	337.22	9.94	-18.23
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286488	0	38	0.0	-38.69	336.80	7.63	-31.06
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CCO1	REAL300018286493	0	43	0.0	-32.45	334.43	8.29	-24.16
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC(F)=CC=C1F	REAL300018286494	0	43	0.0	-30.94	346.83	11.59	-19.35
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286495	0	52	0.0	-29.60	376.51	12.29	-17.31
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286496	0	47	0.0	-32.91	355.33	10.43	-22.48
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286497	0	42	0.0	-34.51	344.09	11.08	-23.43
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C(C)(C)C	REAL300018286498	0	49	0.0	-32.78	387.32	11.13	-21.65
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286500	0	46	0.0	-34.47	367.05	10.28	-24.19
CC(C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCCC1	REAL300018286501	0	45	0.0	-31.21	341.21	10.51	-20.70
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286502	1	38	0.0	-39.66	338.77	4.00	-35.66
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC(F)=CC=C1F	REAL300018286503	0	40	0.0	-33.90	334.61	10.86	-23.04
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300018286504	0	43	0.0	-30.01	350.76	9.88	-20.13
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286505	1	40	0.0	-27.14	334.14	9.07	-18.07
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286506	1	35	0.0	-30.40	326.25	8.14	-22.26
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC(F)=CC=C1F	REAL300018286507	0	43	0.0	-34.41	350.78	11.38	-23.03
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=CC=C1[N+](=O)[O-]	REAL300018286511	1	38	0.0	-34.37	324.31	10.22	-24.15
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1Br	REAL300018286512	0	36	0.0	-33.06	326.14	10.34	-22.72
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1Cl	REAL300018286513	0	37	0.0	-35.09	332.18	9.00	-26.09
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC(F)=CC=C1F	REAL300018286514	0	36	0.0	-28.49	311.93	9.36	-19.13
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC(F)=CC=C1F	REAL300018286516	1	32	0.0	-34.10	310.21	7.50	-26.60
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286517	1	39	0.0	-30.07	324.30	8.19	-21.88
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286519	0	39	0.0	-30.93	327.03	10.53	-20.40
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC(F)=CC=C1F	REAL300018286521	0	37	0.0	-34.87	323.29	10.65	-24.22
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC(F)=CC=C1F	REAL300018286523	1	36	0.0	-32.99	330.23	10.04	-22.95
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=CN=C12	REAL300018286524	1	39	0.0	-31.90	332.89	10.07	-21.83
CN1C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CN=C1Cl	REAL300018286525	1	33	0.0	-35.11	300.47	7.96	-27.15
CN1C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CN=C1Br	REAL300018286526	1	33	0.0	-35.13	304.77	7.98	-27.15
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC(F)=CC=C1F	REAL300018286528	1	33	0.0	-35.81	307.73	6.44	-29.37
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC(F)=CC=C1F	REAL300018286529	0	37	0.0	-35.98	322.98	9.05	-26.93
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC(F)=CC=C1F	REAL300018286530	0	37	0.0	-33.93	322.89	9.05	-24.88
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286532	0	36	0.0	-29.78	315.52	10.15	-19.63
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)N21	REAL300018286534	1	39	0.0	-34.29	324.51	9.97	-24.32
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286535	0	45	0.0	-37.80	368.09	9.78	-28.02
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286536	0	45	0.0	-31.66	356.45	11.06	-20.60
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286537	0	36	0.0	-33.55	324.81	10.29	-23.26
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286538	0	40	0.0	-32.30	339.65	8.77	-23.53
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286539	0	45	0.0	-25.19	338.07	8.38	-16.81
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC(F)=CC=C1F	REAL300018286540	0	38	0.0	-36.28	332.76	9.51	-26.77
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC2=CC=CN=C12	REAL300018286541	0	41	0.0	-37.15	347.90	10.34	-26.81
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286542	0	45	0.0	-28.73	334.26	10.43	-18.30
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C	REAL300018286543	0	46	0.0	-32.51	377.07	10.86	-21.65
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286545	1	43	0.0	-28.15	358.50	10.67	-17.48
O=C([O-])C([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC(F)=CC=C1F	REAL300018286547	1	35	0.0	-30.17	330.57	8.65	-21.52
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286549	1	35	0.0	-29.37	300.57	7.17	-22.20
CC1CC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@@H+]1CC1=CC=CC=C1	REAL300018286550	0	51	0.0	-51.69	391.99	11.82	-39.87
CC1CC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)CC[N@H+]1CC1=CC=CC=C1	REAL300018286550	1	51	0.0	-55.47	391.93	11.21	-44.26
CC1CC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CCN1CC1=CC=CC=C1	REAL300018286550	1	51	0.0	-33.13	387.88	9.77	-23.36
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286551	0	36	0.0	-32.70	316.76	9.91	-22.79
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC(F)=CC=C1F	REAL300018286553	0	40	0.0	-30.50	330.86	10.98	-19.52
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CC(F)=CC=C1F	REAL300018286556	1	36	0.0	-31.84	332.71	10.08	-21.76
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286558	0	51	0.0	-33.62	421.45	13.88	-19.74
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300018286559	0	47	0.0	-36.43	385.94	10.21	-26.22
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C(SC)C=C1OC	REAL300018286560	1	45	0.0	-32.59	375.57	9.13	-23.46
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)CC2)C=C1	REAL300018286561	0	53	0.0	-34.86	405.18	9.84	-25.02
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286562	0	44	0.0	-35.43	357.54	11.58	-23.85
CC1CC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC(C2=CC=CC=C2)C1	REAL300018286563	0	49	0.0	-29.14	362.27	12.44	-16.70
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC2=CC=CC=C21	REAL300018286566	0	43	0.0	-33.30	359.07	10.63	-22.67
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286567	1	39	0.0	-34.60	332.93	7.56	-27.04
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286568	1	40	0.0	-32.65	343.12	9.38	-23.27
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286569	0	43	0.0	-36.20	350.85	9.66	-26.54
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC(F)=CC=C1F	REAL300018286571	0	42	0.0	-46.69	318.38	8.66	-38.03
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC(F)=CC=C1F	REAL300018286571	1	42	0.0	-60.39	324.18	8.78	-51.61
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286572	0	49	0.0	-33.08	354.01	10.95	-22.13
CC([NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)C(C)C1=CC=CC=C1	REAL300018286573	0	42	0.0	-34.49	327.25	10.58	-23.91
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC(F)=CC=C1F	REAL300018286574	0	41	0.0	-35.09	337.85	9.99	-25.10
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=CC=C12	REAL300018286575	0	43	0.0	-31.23	356.01	10.60	-20.63
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286577	0	41	0.0	-35.30	338.32	9.47	-25.83
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286578	0	42	0.0	-31.60	346.87	11.07	-20.53
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC(F)=CC=C1F	REAL300018286580	0	44	0.0	-35.95	364.21	12.09	-23.86
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286581	0	47	0.0	-34.74	344.25	8.63	-26.11
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300018286582	1	39	0.0	-31.61	319.04	7.14	-24.47
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC(F)=CC=C1F	REAL300018286583	0	36	0.0	-38.45	326.26	10.29	-28.16
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC(F)=CC=C1F	REAL300018286585	1	33	0.0	-34.52	315.46	9.35	-25.17
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)NC2=CC=C1	REAL300018286586	0	40	0.0	-32.55	337.43	9.62	-22.93
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286587	0	43	0.0	-36.67	339.74	8.47	-28.20
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286588	1	33	0.0	-35.99	317.28	9.26	-26.73
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300018286589	0	46	0.0	-30.54	368.11	10.59	-19.95
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC1CC1	REAL300018286590	0	45	0.0	-35.08	373.91	9.96	-25.12
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286591	0	46	0.0	-32.92	342.00	10.64	-22.28
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC(F)=CC=C1F	REAL300018286592	1	35	0.0	-35.35	314.77	8.16	-27.19
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC(F)=CC=C1F	REAL300018286593	0	43	0.0	-31.71	334.95	11.04	-20.67
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286595	0	45	0.0	-32.28	332.97	9.82	-22.46
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC(F)=CC=C1F	REAL300018286596	0	43	0.0	-36.48	336.80	11.07	-25.41
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)F)=N1	REAL300018286597	1	36	0.0	-36.76	312.19	7.68	-29.08
CC([NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)C1CCCCCC1	REAL300018286598	0	45	0.0	-30.53	326.45	10.16	-20.37
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286600	0	48	0.0	-32.53	346.83	10.36	-22.17
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC(F)=CC=C1F	REAL300018286601	0	41	0.0	-29.87	328.43	8.98	-20.89
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC(F)=CC=C1F	REAL300018286602	0	40	0.0	-37.00	334.39	11.01	-25.99
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286603	0	42	0.0	-35.39	344.18	10.61	-24.78
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286604	1	38	0.0	-42.98	340.82	4.10	-38.88
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)NC2=C1	REAL300018286606	0	40	0.0	-32.79	339.93	9.71	-23.08
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC(F)=CC=C1F	REAL300018286607	1	37	0.0	-35.76	311.83	7.68	-28.08
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300018286610	0	49	0.0	-33.00	372.46	12.27	-20.73
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)=C1	REAL300018286612	0	49	0.0	-32.82	402.38	13.83	-18.99
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1N1C=NC=N1	REAL300018286613	0	42	0.0	-36.79	353.06	12.54	-24.25
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286614	0	45	0.0	-30.04	334.01	9.99	-20.05
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286615	0	45	0.0	-33.50	325.38	9.70	-23.80
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC1	REAL300018286616	0	51	0.0	-33.58	366.28	11.01	-22.57
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286618	0	40	0.0	-35.36	348.95	9.58	-25.78
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC(F)=CC=C1F	REAL300018286619	1	40	0.0	-34.26	350.62	7.41	-26.85
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(Br)=C1	REAL300018286620	1	37	0.0	-31.20	325.74	8.80	-22.40
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286621	0	40	0.0	-34.10	341.71	8.87	-25.23
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286622	1	43	0.0	-36.01	381.77	11.46	-24.55
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286624	0	44	0.0	-33.22	385.19	13.14	-20.08
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286625	0	50	0.0	-31.96	378.93	9.43	-22.53
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286626	0	39	0.0	-36.68	329.58	10.61	-26.07
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC	REAL300018286627	0	44	0.0	-33.23	358.12	8.84	-24.39
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC(F)=CC=C1F	REAL300018286628	0	40	0.0	-28.35	328.34	11.08	-17.27
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)S1	REAL300018286629	0	33	0.0	-30.08	317.18	9.54	-20.54
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC(F)=CC=C1F	REAL300018286630	0	36	0.0	-40.41	317.96	9.92	-30.49
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC(C)=C1	REAL300018286631	0	42	0.0	-35.23	348.91	11.14	-24.09
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1OC	REAL300018286632	0	50	0.0	-41.14	396.28	10.18	-30.96
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=N2)C=C1	REAL300018286633	1	44	0.0	-34.70	373.67	9.60	-25.10
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286634	0	39	0.0	-33.41	333.49	10.18	-23.23
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286635	0	50	0.0	-30.76	408.28	9.84	-20.92
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286636	0	42	0.0	-37.04	354.47	11.40	-25.64
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286637	1	43	0.0	-33.63	375.18	11.53	-22.10
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC(F)=CC=C1F	REAL300018286638	0	46	0.0	-36.01	378.06	12.47	-23.54
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC(F)=CC=C1F	REAL300018286639	1	39	0.0	-37.54	342.86	7.34	-30.20
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286640	0	39	0.0	-33.21	320.14	8.12	-25.09
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=CN=C21	REAL300018286641	0	38	0.0	-37.66	330.98	8.25	-29.41
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286642	0	42	0.0	-32.08	355.35	11.37	-20.71
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286643	0	45	0.0	-31.72	360.43	11.53	-20.19
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286644	0	47	0.0	-31.60	358.13	8.10	-23.50
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300018286645	0	39	0.0	-36.76	331.18	8.43	-28.33
C[NH+]1CCN(C2=NC=C(CNC(C(=O)[O-])C3=CC(F)=CC=C3F)C=N2)CC1	REAL300018286646	1	48	0.0	-67.71	392.84	8.81	-58.90
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC(F)=CC=C1F	REAL300018286647	0	44	0.0	-35.37	374.53	12.55	-22.82
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC(F)=CC=C1F	REAL300018286652	0	44	0.0	-30.58	329.23	8.60	-21.98
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C2)CO1	REAL300018286653	0	44	0.0	-34.01	342.54	8.41	-25.60
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C2)CO1	REAL300018286654	0	41	0.0	-33.82	329.47	7.83	-25.99
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC(F)=CC=C1F	REAL300018286655	0	41	0.0	-33.78	329.17	9.27	-24.51
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC(F)=CC=C1F	REAL300018286656	0	40	0.0	-36.87	329.79	10.29	-26.58
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=C21	REAL300018286657	0	39	0.0	-32.94	322.99	10.29	-22.65
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286658	0	40	0.0	-28.98	324.76	8.87	-20.11
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286661	0	39	0.0	-29.25	320.23	10.40	-18.85
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286662	0	36	0.0	-33.91	313.17	9.82	-24.09
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1C	REAL300018286663	0	42	0.0	-28.91	334.14	10.75	-18.16
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=CC=C21	REAL300018286667	0	45	0.0	-31.86	363.45	9.72	-22.14
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)CC2	REAL300018286668	0	50	0.0	-33.43	371.89	9.34	-24.09
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1Cl	REAL300018286669	0	37	0.0	-36.71	341.87	10.62	-26.09
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1C1CC1	REAL300018286670	0	43	0.0	-31.49	353.68	11.77	-19.72
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F)C2	REAL300018286671	0	47	0.0	-37.83	365.89	10.49	-27.34
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=N1	REAL300018286672	1	39	0.0	-36.01	333.09	6.73	-29.28
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1C1CC1	REAL300018286673	0	43	0.0	-31.05	353.10	11.78	-19.27
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C(C)=C2)C=C1	REAL300018286674	0	46	0.0	-34.01	380.26	11.36	-22.65
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC(F)=CC=C1F	REAL300018286675	0	39	0.0	-33.42	355.79	10.91	-22.51
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286676	0	43	0.0	-32.48	374.95	11.34	-21.14
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)C=C1Cl	REAL300018286677	0	43	0.0	-34.63	381.50	11.32	-23.31
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2C1C	REAL300018286680	0	44	0.0	-34.22	360.04	10.26	-23.96
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OC(F)F	REAL300018286681	0	40	0.0	-30.80	343.49	9.42	-21.38
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286682	0	43	0.0	-33.50	354.56	8.41	-25.09
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)NN=C1C(F)(F)F	REAL300018286683	1	36	0.0	-33.98	322.33	6.89	-27.09
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC(F)=CC=C1F	REAL300018286684	0	43	0.0	-30.34	326.99	9.93	-20.41
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1O	REAL300018286685	1	37	0.0	-32.39	315.25	7.00	-25.39
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC(F)=CC=C1F	REAL300018286688	0	38	0.0	-35.22	319.99	8.93	-26.29
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC(F)=CC=C1F	REAL300018286690	0	41	0.0	-31.69	338.32	9.13	-22.56
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC(F)=CC=C1F	REAL300018286691	0	41	0.0	-36.78	350.96	8.97	-27.81
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC(F)=CC=C1F	REAL300018286692	0	47	0.0	-38.93	384.09	10.88	-28.05
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286693	0	37	0.0	-34.71	326.86	10.17	-24.54
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC(F)=CC=C1F	REAL300018286694	0	40	0.0	-34.05	337.21	10.94	-23.11
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CC(F)=CC=C1F	REAL300018286695	0	40	0.0	-31.82	342.86	11.26	-20.56
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC(F)=CC=C1F	REAL300018286697	0	41	0.0	-33.09	345.13	10.01	-23.08
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC(F)=CC=C1F	REAL300018286698	1	37	0.0	-36.93	337.13	8.95	-27.98
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286699	0	39	0.0	-36.52	357.85	11.03	-25.49
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300018286700	0	46	0.0	-36.59	381.86	12.12	-24.47
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)C=N1	REAL300018286701	0	46	0.0	-38.49	384.40	12.72	-25.77
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC(F)=CC=C1F	REAL300018286702	0	47	0.0	-31.08	379.10	13.12	-17.96
C[NH+](C)CCC1=CC=C(CNC(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286703	1	47	0.0	-76.41	387.80	10.80	-65.61
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286705	0	39	0.0	-29.19	336.07	11.16	-18.03
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286709	1	44	0.0	-31.48	355.54	9.59	-21.89
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC(F)=CC=C1F	REAL300018286714	1	36	0.0	-28.56	320.43	9.90	-18.66
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC(F)=CC=C1F	REAL300018286715	0	41	0.0	-32.16	328.39	9.02	-23.14
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286716	1	40	0.0	-28.61	352.07	9.88	-18.73
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC(F)=CC=C1F	REAL300018286719	1	46	0.0	-33.99	369.24	10.09	-23.90
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC(F)=CC=C1F	REAL300018286720	0	43	0.0	-30.03	329.59	10.22	-19.81
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=CC=C1C(C)(C)C	REAL300018286721	1	49	0.0	-27.17	379.76	10.84	-16.33
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300018286723	1	39	0.0	-32.63	326.86	6.36	-26.27
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C2)=C1	REAL300018286725	0	44	0.0	-36.35	358.87	10.12	-26.23
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C2)=N1	REAL300018286726	0	38	0.0	-40.74	319.38	6.37	-34.37
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC(F)=CC=C1F	REAL300018286727	0	44	0.0	-34.12	347.39	8.89	-25.23
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC(F)=CC=C1F	REAL300018286729	0	40	0.0	-36.94	341.70	8.98	-27.96
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC(F)=CC=C1F	REAL300018286730	0	46	0.0	-30.81	375.29	12.60	-18.21
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300018286731	0	46	0.0	-36.85	359.84	9.90	-26.95
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=NN1CC	REAL300018286732	1	42	0.0	-32.82	346.03	9.02	-23.80
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C(F)(F)F)=CO1	REAL300018286733	1	36	0.0	-26.01	324.44	8.87	-17.14
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1	REAL300018286734	0	39	0.0	-34.34	337.35	10.62	-23.72
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC(F)=CC=C1F	REAL300018286735	1	39	0.0	-33.24	348.28	9.86	-23.38
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C(C)=C1	REAL300018286736	0	49	0.0	-34.30	383.08	10.71	-23.59
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC(F)=CC=C1F	REAL300018286737	0	46	0.0	-30.37	337.95	10.53	-19.84
CC1CCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)CC2=CC=CC=C21	REAL300018286738	0	46	0.0	-35.90	352.48	11.48	-24.42
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286739	0	40	0.0	-33.40	352.21	11.58	-21.82
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CC=C1O	REAL300018286740	0	50	0.0	-37.74	405.62	9.29	-28.45
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC(F)=CC=C1F	REAL300018286741	0	39	0.0	-30.81	344.38	11.75	-19.06
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)C=C2)=C1	REAL300018286742	0	48	0.0	-36.31	402.78	11.18	-25.13
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286743	0	48	0.0	-37.76	403.08	11.86	-25.90
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC(F)=CC=C1F	REAL300018286744	0	37	0.0	-34.31	340.54	10.55	-23.76
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC(F)=CC=C1F	REAL300018286745	0	41	0.0	-32.31	338.32	9.13	-23.18
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)SC2=CC(F)=CC=C12	REAL300018286746	0	39	0.0	-33.43	345.13	11.17	-22.26
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC(F)=CC=C1F	REAL300018286747	1	39	0.0	-36.01	339.21	7.20	-28.81
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC(F)=CC=C1F	REAL300018286748	0	36	0.0	-38.17	312.73	8.68	-29.49
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1OCCO	REAL300018286750	0	45	0.0	-37.87	376.12	6.13	-31.74
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC(F)=CC=C1F	REAL300018286751	0	38	0.0	-36.16	327.64	9.62	-26.54
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)=C2O1	REAL300018286752	0	39	0.0	-27.90	333.83	10.19	-17.71
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC(F)=CC=C1F	REAL300018286753	1	36	0.0	-29.92	330.99	10.13	-19.79
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1F	REAL300018286754	1	43	0.0	-38.41	362.17	10.08	-28.33
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC(F)=CC=C1F	REAL300018286756	1	36	0.0	-35.36	322.04	7.84	-27.52
O=C([O-])C(NCC1=CC2=C[NH+]=CC=C2N1)C1=CC(F)=CC=C1F	REAL300018286757	1	36	0.0	-60.84	315.54	6.73	-54.11
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC(F)=CC=C1F	REAL300018286758	1	40	0.0	-36.44	351.91	10.43	-26.01
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC(F)=CC=C1F	REAL300018286762	0	43	0.0	-33.68	318.99	9.91	-23.77
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC(F)=CC=C1F	REAL300018286764	0	36	0.0	-31.22	320.44	9.50	-21.72
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC(F)=CC=C1F	REAL300018286765	0	36	0.0	-30.44	330.74	9.94	-20.50
COC1=CC=CC(CN2CCC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)CC2)=C1	REAL300018286766	0	52	0.0	-32.96	405.26	8.69	-24.27
COC1=CC=CC(C[NH+]2CCC(NC(C(=O)[O-])C3=CC(F)=CC=C3F)CC2)=C1	REAL300018286766	1	52	0.0	-63.34	412.64	10.32	-53.02
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300018286767	0	37	0.0	-32.40	315.62	10.33	-22.07
O=C([O-])C([NH2+]CC1=CN=C2C=C(Br)C=CN12)C1=CC(F)=CC=C1F	REAL300018286769	1	36	0.0	-31.81	332.77	10.09	-21.72
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC(F)=CC=C1F	REAL300018286771	0	49	0.0	-31.14	388.53	12.92	-18.22
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286772	1	43	0.0	-34.25	354.32	9.50	-24.75
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286773	0	41	0.0	-36.78	343.56	9.75	-27.03
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC(F)=CC=C1F	REAL300018286774	1	41	0.0	-36.36	355.86	9.46	-26.90
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286776	0	47	0.0	-28.77	348.45	7.47	-21.30
CC(C)(C)[N@@H+]1CCCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286776	1	47	0.0	-56.27	349.63	8.70	-47.57
CC(C)(C)[N@H+]1CCCC(NC(C(=O)[O-])C2=CC(F)=CC=C2F)C1	REAL300018286776	1	47	0.0	-49.01	348.42	9.41	-39.60
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286777	0	46	0.0	-32.68	386.97	13.55	-19.13
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3=CC(F)=CC=C3F)CC2)C=C1	REAL300018286779	0	49	0.0	-35.36	382.79	12.61	-22.75
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC(F)=CC=C1F	REAL300018286780	0	36	0.0	-32.68	312.56	9.86	-22.82
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CC(F)=CC=C1F	REAL300018286781	0	37	0.0	-35.36	346.17	9.44	-25.92
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC(F)=CC=C1F	REAL300018286782	0	36	0.0	-32.42	321.52	10.41	-22.01
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286783	0	42	0.0	-34.72	354.00	10.70	-24.02
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286784	0	39	0.0	-33.21	320.14	8.12	-25.09
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC(F)=CC=C1F	REAL300018286785	0	41	0.0	-30.89	320.75	10.06	-20.83
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C(F)(F)F	REAL300018286786	0	39	0.0	-36.36	331.56	10.74	-25.62
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=N1	REAL300018286787	1	37	0.0	-36.65	323.82	8.32	-28.33
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC(F)=CC=C1F	REAL300018286788	0	36	0.0	-38.90	310.40	7.80	-31.10
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=C1	REAL300018286789	0	45	0.0	-31.12	365.34	11.71	-19.41
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CC(F)=CC=C1F	REAL300018286790	0	44	0.0	-32.57	334.23	8.13	-24.44
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC(F)=CC=C1F	REAL300018286792	0	43	0.0	-28.74	336.82	11.38	-17.36
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286793	0	40	0.0	-35.57	347.17	11.02	-24.55
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC(F)=CC=C1F	REAL300018286794	0	39	0.0	-39.70	339.04	9.03	-30.67
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)C=CC2=CC=CC=C12	REAL300018286795	0	42	0.0	-30.84	340.10	11.77	-19.07
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286796	1	51	0.0	-32.64	407.34	10.68	-21.96
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CC(F)=CC=C1F	REAL300018286797	1	41	0.0	-29.30	347.54	8.52	-20.78
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CC(F)=CC=C1F	REAL300018286798	0	46	0.0	-32.92	371.76	6.10	-26.82
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=C1C	REAL300018286799	1	42	0.0	-34.10	348.40	8.87	-25.23
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC(F)=CC=C2F)=CN=C1N1C=CC=N1	REAL300018286800	1	42	0.0	-37.37	355.70	10.41	-26.96
O=C([O-])C([NH2+]C1CCC1CC1=CC=CC=C1)C1=CC(F)=CC=C1F	REAL300018286801	0	43	0.0	-34.05	351.00	11.62	-22.43
CC([NH2+]CC1=CC(Cl)=CC2=C1OCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018286805	0	41	0.0	-31.44	336.25	9.63	-21.81
COC1=CC=C(OC2=CC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)C=C1	REAL300018286806	0	51	0.0	-35.28	402.54	11.39	-23.89
CC([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286810	0	43	0.0	-42.47	361.16	10.02	-32.45
CC([NH2+]CC=CC1=CC=C(F)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286811	0	40	0.0	-39.56	326.72	10.69	-28.87
CC([NH2+]CC1=CC(Br)=CC2=C1OCC2)(C(=O)[O-])C1=CC=CC=C1	REAL300018286813	0	41	0.0	-31.82	341.01	9.72	-22.10
CC(C)C1=CC=C(CC[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018286814	0	48	0.0	-35.64	365.49	11.98	-23.66
CC([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286816	1	42	0.0	-31.21	365.51	10.82	-20.39
CC([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286817	0	55	0.0	-32.91	420.85	12.78	-20.13
C[NH+](C)CC1=CN=C(CNC(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286818	1	43	0.0	-72.67	345.77	7.32	-65.35
CC([NH2+]CCC1=CC=C(Cl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286819	0	39	0.0	-37.87	321.99	10.57	-27.30
CC([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286820	0	46	0.0	-38.64	381.61	11.47	-27.17
C[NH+](C)CC1=CC(CNC(C)(C(=O)[O-])C2=CC=CC=C2)=NO1	REAL300018286821	1	43	0.0	-76.90	337.07	7.67	-69.23
COCCOCC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018286823	0	50	0.0	-33.89	394.30	9.24	-24.65
CC([NH2+]CC1=CC=C(C2CCCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286824	0	49	0.0	-30.89	367.43	12.45	-18.44
COC1=CC=C(F)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286825	0	40	0.0	-31.18	318.44	8.68	-22.50
CC([NH2+]CC1=CN(CC(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286826	0	39	0.0	-37.96	321.35	8.21	-29.75
CC([NH2+]CC1=CC=C(C2CCC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286827	0	46	0.0	-30.99	349.65	11.85	-19.14
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)N2C(C3CC3)=CSC2=N1	REAL300018286828	1	46	0.0	-30.28	366.49	11.30	-18.98
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286830	0	46	0.0	-33.25	366.52	11.06	-22.19
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1C(F)(F)F	REAL300018286831	0	42	0.0	-33.43	338.29	10.80	-22.63
CC([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286833	0	46	0.0	-37.24	376.89	9.67	-27.57
CC([NH2+]CC1=CC=C2OCCOC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286834	0	42	0.0	-36.22	328.57	8.41	-27.81
CC([NH2+]CC1=CC=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286835	0	36	0.0	-34.30	305.30	9.87	-24.43
COC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018286836	0	44	0.0	-35.73	342.75	8.45	-27.28
CC([NH2+]CC1=CC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286837	0	39	0.0	-36.04	312.72	10.33	-25.71
CCOC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018286838	0	47	0.0	-35.61	364.61	9.37	-26.24
CC([NH2+]CC1=CC(Br)=CS1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286840	0	33	0.0	-30.96	295.76	8.98	-21.98
CC1=NN(C)C(Cl)=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286842	0	39	0.0	-27.81	321.27	7.88	-19.93
CC([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286843	0	43	0.0	-38.28	342.11	10.48	-27.80
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286844	0	45	0.0	-28.04	355.12	8.26	-19.78
CC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018286845	0	39	0.0	-28.27	335.03	10.76	-17.51
CC([NH2+]CC1=CC=C(F)C(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286846	0	36	0.0	-36.69	306.60	9.81	-26.88
CC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286847	0	39	0.0	-33.66	328.19	10.33	-23.33
CC([NH2+]CC1=CC(Cl)=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018286848	0	36	0.0	-29.44	310.99	10.17	-19.27
CC([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286849	0	39	0.0	-34.32	314.91	10.17	-24.15
CC([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286850	0	39	0.0	-33.70	329.15	10.31	-23.39
CC([NH2+]CC1=CC(F)=CC=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018286851	0	36	0.0	-28.80	303.65	9.80	-19.00
CC([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286852	0	42	0.0	-34.49	361.66	11.29	-23.20
CC([NH2+]CC1=CC(Cl)=CC=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286853	0	36	0.0	-32.72	306.24	9.80	-22.92
CC([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286854	0	45	0.0	-38.36	355.67	11.14	-27.22
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286855	0	51	0.0	-29.25	375.76	9.75	-19.50
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C(Br)=C1	REAL300018286856	0	39	0.0	-29.67	318.66	10.40	-19.27
CC([NH2+]CC1=NC=CC=C1C(F)(F)F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286857	0	38	0.0	-30.05	304.44	8.25	-21.80
COC1=CC=C2OC(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300018286858	1	43	0.0	-36.29	341.39	9.06	-27.23
CC1=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300018286859	1	42	0.0	-28.59	330.02	10.34	-18.25
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Br	REAL300018286860	0	39	0.0	-30.10	323.50	10.44	-19.66
CC1=CN2C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CN=C2C=C1	REAL300018286861	0	42	0.0	-34.97	332.13	10.35	-24.62
CC([NH2+]CC1=CN=C2C=CSC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286862	1	38	0.0	-33.52	315.63	8.75	-24.77
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286864	0	42	0.0	-28.75	332.04	10.72	-18.03
CC([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286865	0	40	0.0	-37.15	329.49	8.90	-28.25
CC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286867	0	50	0.0	-32.66	401.57	12.62	-20.04
CC(C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(Br)=C1	REAL300018286869	0	42	0.0	-36.37	341.45	11.19	-25.18
COC1=CC(Cl)=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018286870	0	40	0.0	-30.36	338.88	9.54	-20.82
CC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286871	0	45	0.0	-30.12	357.59	10.98	-19.14
CC([NH2+]CC1CCOC2=CC=CC=C21)(C(=O)[O-])C1=CC=CC=C1	REAL300018286872	0	44	0.0	-35.35	331.10	9.68	-25.67
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286873	0	58	0.0	-31.83	430.67	13.06	-18.77
COC1=C(Br)C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286876	1	37	0.0	-31.98	326.98	8.46	-23.52
CC1=CC(Cl)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286877	0	39	0.0	-29.70	312.42	10.31	-19.39
CC([NH2+]CC1=CN=CC(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286878	0	35	0.0	-32.83	300.18	8.07	-24.76
CC([NH2+]CCCCC1=CC=CC(C(F)(F)F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286880	0	48	0.0	-38.83	387.12	12.58	-26.25
CCSC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=C1	REAL300018286881	0	43	0.0	-34.66	345.69	11.11	-23.55
CC([NH2+]CCSCC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286882	0	43	0.0	-36.78	350.27	11.37	-25.41
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286883	0	49	0.0	-35.02	381.36	10.28	-24.74
CC([NH2+]CCCC1=CC=C2OCCC2=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286884	0	47	0.0	-36.76	362.79	10.65	-26.11
COC1=C(Br)C=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286885	0	40	0.0	-33.75	327.38	9.42	-24.33
CC([NH2+]CC1=CC(F)=CC(Cl)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286886	0	36	0.0	-32.12	306.90	9.86	-22.26
CC([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286887	0	46	0.0	-34.32	374.42	11.01	-23.31
CC([NH2+]CCCC1=C(F)C=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018286888	0	42	0.0	-33.48	346.25	11.26	-22.22
CC1=NC2=CC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)C=C2C=C1	REAL300018286889	0	44	0.0	-34.53	346.77	10.23	-24.30
CC(C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=CC(Cl)=C1	REAL300018286890	0	42	0.0	-36.36	336.88	11.07	-25.29
CC(C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018286891	0	42	0.0	-36.90	326.26	10.63	-26.27
CC([NH2+]CC1=CC=C(Cl)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286892	0	36	0.0	-34.75	306.06	9.82	-24.93
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286894	0	42	0.0	-31.07	334.43	10.79	-20.28
CC([NH2+]CC1=CC(Br)=C(Cl)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286896	0	33	0.0	-30.54	311.48	9.58	-20.96
CCN(C)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286898	0	46	0.0	-31.58	354.21	10.06	-21.52
COCCN(C)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286899	0	50	0.0	-32.11	385.58	9.25	-22.86
CC(C)N(C)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286900	0	49	0.0	-33.35	370.15	10.53	-22.82
CC([NH2+]CC1=CC=C(OCC2CC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286901	0	47	0.0	-32.56	366.79	11.08	-21.48
CC(C)=CCCC(C)CC[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286903	0	51	0.0	-33.57	376.16	11.69	-21.88
CC([NH2+]CC1=CC=C(Cl)C(Br)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286904	0	36	0.0	-35.79	320.13	10.32	-25.47
CC([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018286907	0	41	0.0	-33.58	342.18	10.30	-23.28
COC1=CC(Br)=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1O	REAL300018286908	1	41	0.0	-30.46	336.75	6.90	-23.56
CC(C)C1CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)CCO1	REAL300018286909	0	49	0.0	-35.70	355.06	9.33	-26.37
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300018286910	0	39	0.0	-32.29	319.35	10.36	-21.93
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286912	0	50	0.0	-32.87	386.10	12.04	-20.83
CC([NH2+]CC1=CC=C(SC(F)F)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286913	0	40	0.0	-32.09	333.57	10.55	-21.54
CC(C)CN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286914	0	45	0.0	-31.48	344.98	9.53	-21.95
CC([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286916	0	47	0.0	-35.15	380.00	12.19	-22.96
CC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018286917	0	39	0.0	-30.22	319.47	10.36	-19.86
CC(C)(C)C1=CC=C(CC[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018286919	0	51	0.0	-35.60	381.46	12.38	-23.22
CCOC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018286921	0	43	0.0	-38.43	341.59	9.55	-28.88
CC([NH2+]CC1=CN=C(C2=CC=CO2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286922	1	39	0.0	-32.33	331.87	8.37	-23.96
CSC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286924	1	37	0.0	-31.82	317.38	9.61	-22.21
CC([NH2+]CC1=CC=C(OCCCCl)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286925	0	46	0.0	-33.10	373.76	10.93	-22.17
CN1C=C(C2=CC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)C=C2)C=N1	REAL300018286926	0	46	0.0	-36.74	363.88	10.57	-26.17
CN(C)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300018286927	0	47	0.0	-33.17	359.09	10.49	-22.68
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286928	0	50	0.0	-37.38	392.44	11.68	-25.70
CC([NH2+]CC1CCC(C2=CC=CC=C2)CC1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286929	0	52	0.0	-34.92	372.96	12.76	-22.16
CC([NH2+]CC(CC1=CC=CC=C1)CC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286930	0	55	0.0	-36.46	418.27	14.92	-21.54
CC1=NN(C(C)C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286931	0	45	0.0	-33.02	346.38	9.06	-23.96
COC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=C1F	REAL300018286932	0	40	0.0	-38.84	318.84	8.60	-30.24
CN1C=C(C2=CC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=N1	REAL300018286934	0	43	0.0	-33.15	357.71	9.96	-23.19
CC(C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018286935	0	45	0.0	-37.32	358.60	11.58	-25.74
CC([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286936	0	46	0.0	-30.49	383.08	11.25	-19.24
COC1=CC=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=C1OC	REAL300018286937	0	44	0.0	-34.45	338.34	8.69	-25.76
CC1=NN(C)C2=NC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)C=C12	REAL300018286938	0	44	0.0	-39.41	350.28	8.98	-30.43
CN1C=NC2=CC(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300018286939	0	42	0.0	-33.73	332.27	10.60	-23.13
CN(C)C1=NC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286940	0	42	0.0	-34.75	330.01	9.78	-24.97
CN1N=NC2=CC(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300018286941	0	41	0.0	-43.89	328.05	7.70	-36.19
COCCN1C=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018286942	0	43	0.0	-36.69	342.03	6.97	-29.72
CC([NH2+]CCCCCOC1=CC=CC=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286943	0	49	0.0	-36.50	378.36	11.18	-25.32
CC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286944	0	50	0.0	-34.01	405.40	12.76	-21.25
COCC(C)OC1=CC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018286945	0	50	0.0	-35.85	386.17	9.49	-26.36
CC([NH2+]CC1=CC=C(Cl)C(S(N)(=O)=O)=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286947	0	41	0.0	-37.96	351.31	4.75	-33.21
CC([NH2+]CC1=CC=C(OC2CCOC2)C=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286948	0	48	0.0	-35.66	369.62	8.92	-26.74
CC([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286949	1	42	0.0	-35.40	353.60	10.53	-24.87
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286951	0	53	0.0	-31.94	409.47	12.77	-19.17
COC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=CC(OC)=C1OCC(F)F	REAL300018286952	0	51	0.0	-38.94	410.66	9.63	-29.31
CC([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)(C(=O)[O-])C1=CC=CC=C1	REAL300018286953	0	41	0.0	-33.78	337.39	10.18	-23.60
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=NC=C1Br	REAL300018286954	0	38	0.0	-35.78	318.83	8.61	-27.17
CC([NH2+]CC1=NC=C(Br)C=C1F)(C(=O)[O-])C1=CC=CC=C1	REAL300018286956	1	35	0.0	-30.21	305.67	8.06	-22.15
CC1=CC(Br)=CN2C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CN=C12	REAL300018286957	0	42	0.0	-31.42	353.43	10.91	-20.51
CC([NH2+]CC1=CN=C(C2CCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286958	1	45	0.0	-31.09	355.98	9.89	-21.20
CC([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286959	0	42	0.0	-33.05	356.94	10.52	-22.53
CC([NH2+]CC1=CN=C(C2CCCCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286960	1	48	0.0	-30.18	374.35	10.49	-19.69
CC([NH2+]CC1=CN=C(C2CC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286961	1	39	0.0	-31.39	321.78	8.91	-22.48
CC(C)CC1=NC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286962	1	44	0.0	-31.06	351.91	9.44	-21.62
CC(C)C1=NC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286963	1	41	0.0	-31.07	333.03	8.58	-22.49
CC([NH2+]CC1=CN=C(C2=CC=CS2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286964	1	39	0.0	-30.95	340.96	9.36	-21.59
CC([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286965	1	42	0.0	-30.90	365.82	10.81	-20.09
CC([NH2+]CC1=CN=C(C2=CSC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286966	1	39	0.0	-31.48	340.23	9.23	-22.25
CC1=CC=C(C2=NC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)S2)C=C1C	REAL300018286967	1	48	0.0	-31.07	387.86	11.52	-19.55
CC1=CC=C(C2=NC=C(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)S2)O1	REAL300018286968	1	42	0.0	-31.88	353.78	9.19	-22.69
CC1=CC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)=C(Br)C=C1F	REAL300018286969	0	39	0.0	-30.38	323.27	10.47	-19.91
CC1=CC(Br)=CC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286970	0	39	0.0	-29.67	316.98	10.41	-19.26
CC([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286971	1	48	0.0	-32.64	393.65	11.78	-20.86
COCCC1=NC=C(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)S1	REAL300018286972	1	42	0.0	-31.58	345.61	7.05	-24.53
CC([NH2+]CC1=CN(CC(F)(F)F)N=C1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286973	0	39	0.0	-39.44	325.98	8.45	-30.99
CC([NH2+]CCCC1=C(Cl)C=CC=C1Cl)(C(=O)[O-])C1=CC=CC=C1	REAL300018286975	0	42	0.0	-33.17	355.01	11.66	-21.51
CC([NH2+]CC1=CC=C(Cl)C=C1Br)(C(=O)[O-])C1=CC=CC=C1	REAL300018286976	0	36	0.0	-30.73	314.59	10.26	-20.47
CC1=C(Br)C=NC=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286977	0	38	0.0	-30.07	309.47	8.54	-21.53
CC([NH2+]CC1=CN2C=CC(Br)=CC2=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286978	0	39	0.0	-40.68	332.33	10.38	-30.30
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286981	0	46	0.0	-38.45	366.58	11.23	-27.22
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286982	0	49	0.0	-34.02	383.59	11.75	-22.27
CC([NH2+]CC1=CN=C(C2=CC=CN=C2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286983	1	41	0.0	-31.99	343.78	8.52	-23.47
CC(CCC1=CC=CC=C1)C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286985	0	48	0.0	-35.27	362.91	12.13	-23.14
COC1=CC=C(CC(C)C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018286986	0	49	0.0	-35.83	376.59	10.68	-25.15
CC(C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1)CC1CCCCC1	REAL300018286987	0	51	0.0	-32.04	362.04	11.51	-20.53
CC1=C(C)C=C2OC(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300018286988	1	45	0.0	-36.04	350.22	10.98	-25.06
CCC1=NN(C)C(CC)=C1C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1	REAL300018286989	0	48	0.0	-32.66	366.33	9.41	-23.25
CC([NH2+]CC1=CN=C(C2CCC2)S1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286990	1	42	0.0	-31.03	338.62	9.38	-21.65
CCC1=C2OC(C[NH2+]C(C)(C(=O)[O-])C3=CC=CC=C3)=CC2=CC=C1	REAL300018286991	1	45	0.0	-35.85	354.81	11.20	-24.65
CCCC1CCC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018286992	0	51	0.0	-31.77	365.85	11.62	-20.15
CC(C[NH2+]C(C)(C(=O)[O-])C1=CC=CC=C1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300018286993	0	48	0.0	-44.51	380.55	8.09	-36.42
CC(C)C1CCC(C[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)CC1	REAL300018286994	0	51	0.0	-31.22	354.08	11.06	-20.16
CC([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286998	1	42	0.0	-29.69	360.50	9.84	-19.85
CC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2Cl)N=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300018286999	1	42	0.0	-30.34	370.91	10.29	-20.05
CC1=CC(C)=C(C=CC[NH2+]C(C)(C(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300018287000	0	49	0.0	-33.83	370.67	12.30	-21.53
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300018290312	1	45	0.0	-70.98	358.08	7.12	-63.86
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300018290319	0	51	0.0	-80.23	393.77	8.17	-72.06
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300018290322	0	49	0.0	-86.16	394.41	10.53	-75.63
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300018290323	0	49	0.0	-76.99	391.69	10.57	-66.42
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300018290324	0	48	0.0	-79.09	373.60	8.24	-70.85
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300018290330	0	53	0.0	-76.75	415.17	9.86	-66.89
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300018290336	0	49	0.0	-78.14	389.89	8.77	-69.37
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC2=C(F)C=CC=C2Cl)CC1	REAL300018290373	1	49	0.0	-74.68	392.32	10.31	-64.37
COC1=CC(C(=O)[O-])=CC=C1NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300018290374	0	49	0.0	-77.35	378.75	10.13	-67.22
COC1=CC(C(=O)[O-])=CC=C1NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300018290374	1	49	0.0	-77.34	377.72	10.04	-67.30
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC2CC2)CC1	REAL300018290375	0	46	0.0	-78.07	350.50	8.70	-69.37
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC(C)C)CC1	REAL300018290385	0	48	0.0	-77.11	357.91	8.60	-68.51
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300018290392	0	48	0.0	-85.47	373.04	8.32	-77.15
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](C(C)(C)C)CC1	REAL300018290393	0	48	0.0	-73.62	348.10	7.89	-65.73
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](CCN2CCOCC2)CC1	REAL300018290398	0	55	0.0	-82.45	407.47	5.60	-76.85
COC1=CC(C(=O)[O-])=CC=C1NC1CC[NH+](C2CCCCC2C)CC1	REAL300018290412	0	55	0.0	-75.81	387.83	9.99	-65.82
COC1=CC(C(=O)[O-])=CC=C1NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300018290504	0	52	0.0	-76.56	378.55	10.83	-65.73
COC1=CC(C(=O)[O-])=CC=C1NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300018290504	1	52	0.0	-75.79	390.68	10.78	-65.01
COC1=CC(C(=O)[O-])=CC=C1NCC1=CN=C(N2CC[NH+](C)CC2)N=C1	REAL300018290581	1	49	0.0	-80.18	387.92	7.73	-72.45
COC1=CC(C(=O)[O-])=CC=C1NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300018290629	0	48	0.0	-80.08	382.50	9.82	-70.26
COC1=CC=CC(C[NH+]2CCC(NC3=CC=C(C(=O)[O-])C=C3OC)CC2)=C1	REAL300018290690	0	53	0.0	-80.99	407.36	9.36	-71.63
COC1=CC(C(=O)[O-])=CC=C1NC1CCC[N@@H+](C(C)(C)C)C1	REAL300018290699	0	48	0.0	-72.28	344.27	8.31	-63.97
COC1=CC(C(=O)[O-])=CC=C1NC1CCC[N@H+](C(C)(C)C)C1	REAL300018290699	1	48	0.0	-72.23	344.34	8.31	-63.92
O=C([O-])CCC([NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1)C1=CC=CC=C1	REAL300018290726	1	45	0.0	-60.93	390.41	10.71	-50.22
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CCC1CCCC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C1	REAL300018290732	0	51	0.0	-52.97	367.82	11.64	-41.33
CC(C)C1=CN=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018290733	0	44	0.0	-52.16	363.05	9.61	-42.55
O=C([O-])CCC([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C1=CC=CC=C1	REAL300018290734	0	46	0.0	-65.16	392.07	11.07	-54.09
O=C([O-])CCC([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300018290735	0	43	0.0	-59.44	357.88	11.71	-47.73
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CCCCCC(CCCCC)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290737	0	59	0.0	-50.33	417.53	13.14	-37.19
COC1=CC=C2CCC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)CC2=C1	REAL300018290738	0	50	0.0	-55.66	381.51	11.17	-44.49
CCC(CC1=CC=CS1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290739	0	45	0.0	-47.92	350.34	11.08	-36.84
CCC(CC1=CC=C(C)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290740	0	51	0.0	-48.88	380.84	12.54	-36.34
CCCC(CCC1=CC=CC=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290741	0	54	0.0	-53.01	389.14	12.97	-40.04
O=C([O-])CCC([NH2+]CC1=C(Br)C=CS1)C1=CC=CC=C1	REAL300018290742	0	36	0.0	-49.68	324.67	9.94	-39.74
O=C([O-])CCC([NH2+]CC1=CC(Br)=CC2=C1OCC2)C1=CC=CC=C1	REAL300018290743	0	44	0.0	-51.63	371.96	10.77	-40.86
CC(CCC1=CC=C2OCOC2=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290744	0	51	0.0	-58.17	397.50	11.10	-47.07
CC(CCC1=CC=C(O)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290745	0	49	0.0	-55.26	382.49	9.59	-45.67
COC1=CC=C(CC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018290746	0	53	0.0	-55.24	408.63	10.86	-44.38
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290747	0	52	0.0	-59.48	410.10	11.88	-47.60
COC1=CC=C(CCC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018290748	0	52	0.0	-54.85	400.97	11.74	-43.11
CC(CCC1=CC=CO1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290749	0	45	0.0	-54.43	352.78	10.57	-43.86
CC(CC1=CC=C(F)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290750	0	45	0.0	-60.08	355.17	11.57	-48.51
CC(CCN1C=CC=N1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290751	0	45	0.0	-56.13	351.84	9.48	-46.65
CC(CC1=CC=C(Cl)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290752	0	45	0.0	-58.87	365.49	12.02	-46.85
CC(CCC1=CC=C(F)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290753	0	48	0.0	-55.91	377.87	12.51	-43.40
CC=CCOC1=CC=C(CCC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018290754	0	59	0.0	-54.85	457.43	14.11	-40.74
CC(CC1CCOCC1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290755	0	49	0.0	-53.48	336.43	8.41	-45.07
CC(CCC1CCCCC1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290756	0	54	0.0	-51.35	385.98	12.29	-39.06
CC(CCC1=CC=CC=C1F)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290757	0	48	0.0	-52.13	377.32	12.49	-39.64
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290758	0	48	0.0	-61.28	387.42	12.51	-48.77
CC(C)C1=CC=C(CC[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018290759	0	51	0.0	-55.73	396.65	13.01	-42.72
O=C([O-])CCC([NH2+]C1CCC(C(F)(F)F)CC1)C1=CC=CC=C1	REAL300018290760	0	45	0.0	-54.84	344.50	10.84	-44.00
CC1CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CN(CC2=CC=CC=C2)C1	REAL300018290761	0	57	0.0	-52.02	417.75	11.47	-40.55
CC1=CN2C=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)N=C2C=C1	REAL300018290762	0	45	0.0	-55.31	363.36	11.47	-43.84
O=C([O-])CCC([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C1=CC=CC=C1	REAL300018290763	0	45	0.0	-57.77	396.75	11.86	-45.91
O=C([O-])CCC([NH2+]CC1=CC=C2OC=CC2=C1)C1=CC=CC=C1	REAL300018290764	0	42	0.0	-58.69	342.30	10.64	-48.05
COCC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=NO1	REAL300018290766	1	42	0.0	-56.04	345.50	7.51	-48.53
O=C([O-])CCC([NH2+]CCC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300018290767	0	42	0.0	-59.12	353.15	11.60	-47.52
CC(C)N1C=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)N=N1	REAL300018290768	1	44	0.0	-58.38	351.97	8.19	-50.19
C[NH+](C)CC1=CC(CNC(CCC(=O)[O-])C2=CC=CC=C2)=NO1	REAL300018290769	1	46	0.0	-71.57	370.62	8.81	-62.76
CC1=CC=CC=C1N1C=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)N=N1	REAL300018290770	1	48	0.0	-58.71	383.34	10.92	-47.79
CCOC1CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C1SC	REAL300018290771	0	47	0.0	-48.03	377.75	9.89	-38.14
COCCOCC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018290772	0	53	0.0	-57.48	425.42	10.27	-47.21
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COC1=CC=C(F)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290775	0	43	0.0	-51.79	349.43	9.74	-42.05
CC1(C2=CC=CC=C2)CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C1	REAL300018290776	0	49	0.0	-54.42	372.19	12.56	-41.86
O=C([O-])CCC([NH2+]CC1=CN(CC(F)F)N=C1)C1=CC=CC=C1	REAL300018290777	0	42	0.0	-59.96	352.25	9.26	-50.70
O=C([O-])CCC([NH2+]CC1=CC=C(C2CCC2)C=C1)C1=CC=CC=C1	REAL300018290778	0	49	0.0	-53.52	380.64	12.89	-40.63
CC(C)C1=CC=C(C2(O)CCC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)CC2)C=C1	REAL300018290779	0	62	0.0	-55.02	448.60	12.15	-42.87
CS(=O)(=O)CC1CCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300018290780	0	51	0.0	-58.85	386.06	8.19	-50.66
COCC1CCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300018290781	0	49	0.0	-51.91	367.38	9.42	-42.49
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)N2C(C3CC3)=CSC2=N1	REAL300018290782	0	49	0.0	-56.63	393.69	12.20	-44.43
O=C([O-])CCC([NH2+]CC1=CC=C2CCCC2=N1)C1=CC=CC=C1	REAL300018290783	0	45	0.0	-52.94	355.41	10.34	-42.60
O=C([O-])CCC([NH2+]CC1=CC=NN1C1CCCC1)C1=CC=CC=C1	REAL300018290784	0	49	0.0	-57.89	381.01	10.79	-47.10
O=C([O-])CCC([NH2+]CC1=CC=C(C2CC2)C=C1)C1=CC=CC=C1	REAL300018290785	0	46	0.0	-54.00	364.10	12.41	-41.59
O=C([O-])CCC([NH2+]C1CCN(C2CC2)CC1)C1=CC=CC=C1	REAL300018290786	0	48	0.0	-51.62	349.39	8.21	-43.41
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290787	0	49	0.0	-59.07	398.13	12.12	-46.95
CC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1C(F)(F)F	REAL300018290788	0	45	0.0	-59.97	369.34	11.82	-48.15
O=C([O-])CCC([NH2+]CC1=CN=NN1C1=CC=CC=C1)C1=CC=CC=C1	REAL300018290789	0	45	0.0	-59.79	364.97	9.98	-49.81
CCC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1O	REAL300018290790	0	46	0.0	-52.42	366.33	9.01	-43.41
O=C([O-])CCC([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1=CC=CC=C1	REAL300018290791	0	49	0.0	-60.58	407.26	10.78	-49.80
O=C([O-])CCC([NH2+]CC1=CC=C2OCCOC2=C1)C1=CC=CC=C1	REAL300018290792	0	45	0.0	-58.23	359.42	9.46	-48.77
O=C([O-])CCC([NH2+]CC1=CC=CC(Br)=C1)C1=CC=CC=C1	REAL300018290793	0	39	0.0	-56.99	335.55	10.77	-46.22
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018290794	0	47	0.0	-59.85	373.66	9.50	-50.35
O=C([O-])CCC([NH2+]CC1=CC=CC=C1C(F)(F)F)C1=CC=CC=C1	REAL300018290795	0	42	0.0	-51.35	340.04	11.12	-40.23
CCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018290796	0	50	0.0	-59.68	395.52	10.42	-49.26
O=C([O-])CCC([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C1=CC=CC=C1	REAL300018290797	0	46	0.0	-57.51	381.65	12.27	-45.24
O=C([O-])CCC([NH2+]CC1=CC(Br)=CS1)C1=CC=CC=C1	REAL300018290798	0	36	0.0	-54.89	326.69	10.04	-44.85
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CC1=NN(C)C(Cl)=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290800	0	42	0.0	-53.40	353.12	8.97	-44.43
O=C([O-])CCC([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C1=CC=CC=C1	REAL300018290801	0	46	0.0	-62.27	373.35	11.51	-50.76
CCOC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018290802	0	46	0.0	-55.78	365.62	10.38	-45.40
O=C([O-])CCC([NH2+]CC1=CC=CC2=C1OCO2)C1=CC=CC=C1	REAL300018290803	0	42	0.0	-54.73	340.90	8.96	-45.77
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290804	0	48	0.0	-57.18	385.93	9.31	-47.87
O=C([O-])CCC([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C1=CC=CC=C1	REAL300018290805	0	42	0.0	-53.68	363.22	11.68	-42.00
O=C([O-])CCC([NH2+]CC1=CC=C(F)C(Cl)=C1)C1=CC=CC=C1	REAL300018290806	0	39	0.0	-61.13	337.51	10.87	-50.26
O=C([O-])CCC([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C1=CC=CC=C1	REAL300018290807	0	42	0.0	-63.76	359.24	11.36	-52.40
O=C([O-])CCC([NH2+]CC1=CC(Cl)=CC=C1Cl)C1=CC=CC=C1	REAL300018290808	0	39	0.0	-52.10	342.68	11.22	-40.88
O=C([O-])CCC([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C1=CC=CC=C1	REAL300018290809	0	42	0.0	-55.03	345.00	11.16	-43.87
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O=C([O-])CCC([NH2+]CC1=CC(Cl)=CC=C1F)C1=CC=CC=C1	REAL300018290812	0	39	0.0	-53.59	337.13	10.85	-42.74
O=C([O-])CCC([NH2+]CC1=CC(F)=CC(F)=C1)C1=CC=CC=C1	REAL300018290813	0	39	0.0	-61.33	327.09	10.29	-51.04
O=C([O-])CCC([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1=CC=CC=C1	REAL300018290814	0	48	0.0	-56.08	386.64	12.18	-43.90
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290815	0	54	0.0	-55.52	407.86	10.84	-44.68
CCC(C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)C1=CC=CC=C1	REAL300018290816	0	48	0.0	-54.78	370.64	12.26	-42.52
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(Br)=C1	REAL300018290817	0	42	0.0	-50.63	349.01	11.41	-39.22
O=C([O-])CCC([NH2+]CC=CC1=CC=C(F)C=C1)C1=CC=CC=C1	REAL300018290818	0	43	0.0	-61.37	351.72	11.54	-49.83
O=C([O-])CCC([NH2+]CC1=NC=CC=C1C(F)(F)F)C1=CC=CC=C1	REAL300018290819	0	41	0.0	-48.43	338.92	9.38	-39.05
COC1=CC=C2OC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300018290820	0	46	0.0	-58.90	372.35	10.13	-48.77
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C2=CC=CC=C2O1	REAL300018290821	0	45	0.0	-56.18	362.38	11.44	-44.74
O=C([O-])CCC([NH2+]CC1=COC2=CC=CC=C12)C1=CC=CC=C1	REAL300018290822	0	42	0.0	-56.76	342.91	10.69	-46.07
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1Br	REAL300018290823	0	42	0.0	-56.20	354.41	11.49	-44.71
O=C([O-])CCC([NH2+]CC1=CN=C2C=NC=CN12)C1=CC=CC=C1	REAL300018290824	0	41	0.0	-62.52	336.62	8.99	-53.53
CC1=CN2C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CN=C2C=C1	REAL300018290825	0	45	0.0	-58.50	362.91	11.40	-47.10
O=C([O-])CCC([NH2+]CC1=CN=C2C=CSC2=C1)C1=CC=CC=C1	REAL300018290826	0	41	0.0	-60.33	346.79	9.79	-50.54
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290827	0	45	0.0	-59.18	378.06	11.18	-48.00
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290828	0	45	0.0	-54.51	361.23	11.77	-42.74
O=C([O-])CCC([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1=CC=CC=C1	REAL300018290829	0	43	0.0	-61.97	360.40	9.95	-52.02
CC1=NN2C(=NC(C)=C2C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018290830	0	44	0.0	-56.03	369.31	9.50	-46.53
O=C([O-])CCC([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C1=CC=CC=C1	REAL300018290831	0	53	0.0	-56.98	432.60	13.66	-43.32
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290832	0	45	0.0	-60.35	378.14	11.18	-49.17
CC(C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)C1=CC=CC(Br)=C1	REAL300018290833	0	45	0.0	-56.92	372.50	12.24	-44.68
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CC(C)C1CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CCO1	REAL300018290898	0	52	0.0	-55.46	385.87	10.36	-45.10
CCC1CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CCO1	REAL300018290899	0	49	0.0	-55.37	368.85	9.82	-45.55
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COC1=CC=C(N2CCC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)CC2)C=C1	REAL300018290907	0	55	0.0	-58.97	411.35	9.80	-49.17
CC1CCCC([NH+]2CCC(NC(CCC(=O)[O-])C3=CC=CC=C3)CC2)C1	REAL300018290908	1	60	0.0	-61.07	424.52	11.90	-49.17
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COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290911	0	53	0.0	-53.24	417.33	13.08	-40.16
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CC(CCC1=CC=CC=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018290913	0	48	0.0	-53.25	371.76	12.43	-40.82
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CC1=CC=C(C2CC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C2)C=C1	REAL300018290915	0	49	0.0	-53.66	373.51	12.48	-41.18
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CC1=CC=CC=C1C1CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C1	REAL300018290917	0	49	0.0	-54.06	369.41	12.32	-41.74
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CCOC1CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C12CCC2	REAL300018290919	0	50	0.0	-51.15	376.80	10.45	-40.70
CC(C)CN1C=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018290920	0	48	0.0	-57.31	376.14	10.55	-46.76
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CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018290928	0	42	0.0	-56.24	350.38	11.40	-44.84
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CC(C)(C)C1=CC=C(CC[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018290933	0	54	0.0	-55.59	412.62	13.41	-42.18
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CC(C)(C)C1=CN=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018290939	0	47	0.0	-51.98	381.25	10.10	-41.88
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CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018291274	0	42	0.0	-57.35	341.64	11.02	-46.33
CC1(C)CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC(C)(C)C1	REAL300018291276	0	54	0.0	-54.61	384.43	11.49	-43.12
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CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291278	0	52	0.0	-55.21	403.94	12.51	-42.70
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(Cl)=C1OC	REAL300018291279	0	47	0.0	-55.84	389.58	10.08	-45.76
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CC(C)OC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291282	0	49	0.0	-55.37	384.53	11.24	-44.13
CCCCCCCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291283	0	61	0.0	-55.76	473.73	14.46	-41.30
CC(C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018291284	0	60	0.0	-54.48	447.72	14.67	-39.81
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CC(C)CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291288	0	51	0.0	-53.25	396.14	12.99	-40.26
CC1=CC=C(C2=CC=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=C2)C=C1	REAL300018291289	0	52	0.0	-57.73	409.87	14.24	-43.49
COC1=CC=C(Br)C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291290	0	43	0.0	-49.38	359.80	10.19	-39.19
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1[N+](=O)[O-]	REAL300018291291	0	45	0.0	-70.27	370.44	11.04	-59.23
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CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291293	0	52	0.0	-55.70	410.98	14.39	-41.31
O=C([O-])CCC([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC=C1	REAL300018291294	0	43	0.0	-59.65	353.51	9.74	-49.91
CCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OCC	REAL300018291295	0	53	0.0	-59.55	417.37	11.34	-48.21
CC(C)C1CCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300018291296	0	51	0.0	-50.92	362.86	11.52	-39.40
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O=C([O-])CCC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC=C1	REAL300018291299	0	42	0.0	-64.39	354.52	9.41	-54.98
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O=C([O-])CCC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC=C1	REAL300018291301	0	43	0.0	-58.15	360.91	10.10	-48.05
CS(=O)(=O)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291302	0	45	0.0	-66.02	375.57	7.83	-58.19
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291303	0	53	0.0	-56.48	423.20	13.37	-43.11
CC(CCOCC1=CC=CC=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291304	0	52	0.0	-53.48	405.79	11.71	-41.77
O=C([O-])CCC([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1	REAL300018291305	0	46	0.0	-57.49	369.99	12.37	-45.12
O=C([O-])CCC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=CC=C1	REAL300018291306	0	49	0.0	-57.48	405.93	14.24	-43.24
O=C([O-])CCC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1	REAL300018291307	0	49	0.0	-59.25	405.20	14.08	-45.17
CCC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018291308	0	42	0.0	-52.35	348.58	10.99	-41.36
CN1C2=CC=CC=C2N=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291309	0	45	0.0	-58.80	361.34	10.66	-48.14
O=C([O-])CCC([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC=C1	REAL300018291310	0	44	0.0	-57.71	350.80	10.15	-47.56
O=C([O-])CCC([NH2+]CC1=CSC(Br)=C1)C1=CC=CC=C1	REAL300018291311	0	36	0.0	-56.61	326.57	9.99	-46.62
O=C([O-])CCC([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC=C1	REAL300018291312	0	50	0.0	-58.55	388.84	10.22	-48.33
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291313	0	47	0.0	-67.44	387.73	6.87	-60.57
O=C([O-])CCC([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC=C1	REAL300018291314	0	43	0.0	-52.96	345.50	10.31	-42.65
O=C([O-])CCC([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC=C1	REAL300018291315	0	43	0.0	-56.90	346.28	10.33	-46.57
CC(CC1=CC=CS1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291316	0	42	0.0	-48.40	339.95	10.80	-37.60
O=C([O-])CCC([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC=C1	REAL300018291317	0	42	0.0	-58.21	354.46	9.40	-48.81
CC1(C)CCC2=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CC=C2O1	REAL300018291318	0	53	0.0	-56.21	405.54	12.13	-44.08
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CC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C(C)S1	REAL300018291388	0	42	0.0	-52.50	341.16	10.73	-41.77
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COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291390	0	43	0.0	-55.07	377.36	10.74	-44.33
C#CCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291391	0	45	0.0	-58.49	372.02	11.08	-47.41
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CCOC1=C(OC)C=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018291393	0	54	0.0	-62.98	428.75	10.37	-52.61
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COC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1SC	REAL300018291396	0	47	0.0	-59.65	383.83	10.65	-49.00
CCC(C)OC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018291397	0	56	0.0	-58.48	434.00	11.85	-46.63
C=C(C)COC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018291398	0	54	0.0	-60.22	427.83	11.78	-48.44
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OCCC(C)C	REAL300018291399	0	59	0.0	-59.29	456.08	12.53	-46.76
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CCOCC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1OC	REAL300018291401	0	53	0.0	-55.07	418.50	10.52	-44.55
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CCCC(CC1=CC=CC=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291403	0	51	0.0	-49.09	359.09	11.80	-37.29
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CN(C)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018291412	0	47	0.0	-59.23	375.82	9.85	-49.38
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CC(C)COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291426	0	52	0.0	-55.65	407.84	12.03	-43.62
COCCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291427	0	50	0.0	-58.05	399.86	9.80	-48.25
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291428	0	48	0.0	-48.20	371.99	12.11	-36.09
CC1(C)CCCC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C1	REAL300018291429	0	51	0.0	-53.09	370.18	11.55	-41.54
O=C([O-])CCC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=CC=C1	REAL300018291430	0	43	0.0	-60.48	370.21	10.43	-50.05
O=C([O-])CCC([NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C1=CC=CC=C1	REAL300018291431	0	47	0.0	-61.23	408.04	11.78	-49.45
CC1=CC(N(C)C)=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291432	0	50	0.0	-52.10	377.39	11.16	-40.94
O=C([O-])CCC([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC=C1	REAL300018291433	0	46	0.0	-53.83	360.43	12.22	-41.61
CC1=CC=CC=C1CC(C)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291434	0	48	0.0	-49.51	365.62	12.13	-37.38
CC1=CC=CC(CC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291435	0	48	0.0	-51.48	364.30	12.01	-39.47
COC1=CC2=C(C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)OCO2	REAL300018291436	0	46	0.0	-55.75	369.07	8.31	-47.44
COC1=CC(Cl)=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018291437	0	47	0.0	-55.41	383.12	9.89	-45.52
COC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)SC=C1	REAL300018291438	0	40	0.0	-48.72	335.11	8.72	-40.00
CC(C)COC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291439	0	52	0.0	-54.52	407.88	12.03	-42.49
O=C([O-])CCC([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1=CC=CC=C1	REAL300018291440	0	59	0.0	-57.12	454.83	9.21	-47.91
O=C([O-])CCC([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC=C1	REAL300018291441	0	45	0.0	-58.75	361.54	12.46	-46.29
C=CCOC1=C(Cl)C=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018291442	0	51	0.0	-62.14	428.38	11.67	-50.47
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1CN1C=CC=N1	REAL300018291443	0	53	0.0	-58.15	427.12	11.29	-46.86
CC1(C)CC2=CC=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=C2O1	REAL300018291444	0	50	0.0	-50.54	392.16	11.52	-39.02
O=C([O-])CCC([NH2+]CC1=NC2=C(CCCC2)S1)C1=CC=CC=C1	REAL300018291445	0	45	0.0	-52.48	363.44	10.05	-42.43
O=C([O-])CCC([NH2+]CC1=CC=NC=C1Br)C1=CC=CC=C1	REAL300018291446	0	38	0.0	-53.35	325.74	9.12	-44.23
O=C([O-])CCC([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC=C1	REAL300018291447	0	38	0.0	-54.09	322.11	9.01	-45.08
O=C([O-])CCC([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=CC=C1	REAL300018291448	0	39	0.0	-59.02	342.62	10.99	-48.03
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291449	0	45	0.0	-61.09	370.08	11.98	-49.11
O=C([O-])CCC([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC=C1	REAL300018291450	0	46	0.0	-58.00	373.28	11.50	-46.50
O=C([O-])CCC([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC=C1	REAL300018291451	0	44	0.0	-60.73	355.92	10.79	-49.94
CC1=C(Br)SC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291452	0	39	0.0	-55.60	346.35	10.74	-44.86
O=C([O-])CCC([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C1=CC=CC=C1	REAL300018291453	0	42	0.0	-58.30	364.16	11.45	-46.85
CS(=O)(=O)N1CCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300018291454	0	47	0.0	-69.81	367.63	5.99	-63.82
COC1=CC(F)=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291455	0	43	0.0	-57.71	350.83	9.67	-48.04
CC(C)(C)C1=NC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018291456	0	49	0.0	-60.20	386.54	10.27	-49.93
COC1=CC=CC=C1N1CCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300018291457	0	55	0.0	-53.63	410.50	10.20	-43.43
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(Cl)=C1	REAL300018291458	0	42	0.0	-50.97	347.57	11.38	-39.59
O=C([O-])CCC([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC=C1	REAL300018291459	0	41	0.0	-70.30	355.59	11.35	-58.95
O=C([O-])CCC([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC=C1	REAL300018291460	0	42	0.0	-60.67	352.83	11.48	-49.19
CC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1OC1=CC=CN=C1	REAL300018291461	0	52	0.0	-59.60	417.63	12.04	-47.56
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291462	0	45	0.0	-61.03	373.57	12.04	-48.99
CC1=CC=C(C2=NC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)S2)C=C1	REAL300018291463	0	48	0.0	-57.00	401.42	12.02	-44.98
O=C([O-])CCC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC=C1	REAL300018291464	0	44	0.0	-54.26	370.83	11.19	-43.07
O=C([O-])CCC([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC=C1	REAL300018291465	0	44	0.0	-49.59	368.33	11.11	-38.48
CS(=O)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291466	0	44	0.0	-66.24	367.09	8.90	-57.34
O=C([O-])CCC([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC=C1	REAL300018291467	0	41	0.0	-63.25	354.38	11.39	-51.86
O=C([O-])CCC([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C1=CC=CC=C1	REAL300018291468	0	46	0.0	-57.61	389.73	12.37	-45.24
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)O1	REAL300018291469	0	49	0.0	-57.13	402.19	12.96	-44.17
CCC1=CC=C(C2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300018291470	0	52	0.0	-55.89	418.13	13.66	-42.23
CC(C)C1CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CCO1	REAL300018291471	0	49	0.0	-55.30	363.45	9.30	-46.00
O=C([O-])CCC([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC=C1	REAL300018291472	0	49	0.0	-53.57	377.61	12.80	-40.77
O=C([O-])CCC([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC=C1	REAL300018291473	0	58	0.0	-54.45	410.92	13.18	-41.27
CC(C)CC(C)CC(C)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291474	0	53	0.0	-49.69	383.61	11.80	-37.89
CC1=CC=C(C(C)C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291475	0	48	0.0	-54.38	372.18	12.28	-42.10
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1C(C)(C)C	REAL300018291476	0	55	0.0	-55.33	415.59	12.29	-43.04
COCC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)O1	REAL300018291477	0	43	0.0	-55.50	351.17	8.33	-47.17
CC(C)(C)OC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291478	0	52	0.0	-55.28	394.68	11.30	-43.98
CC(C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)C1CCCCC1	REAL300018291479	0	51	0.0	-51.93	370.70	11.77	-40.16
NS(=O)(=O)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291480	0	44	0.0	-66.32	369.12	5.26	-61.06
O=C([O-])CCC([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC=C1	REAL300018291481	0	46	0.0	-53.51	366.16	12.32	-41.19
CCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018291482	0	49	0.0	-54.43	377.26	10.98	-43.45
COC1=CC(C)=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291483	0	46	0.0	-50.58	364.58	10.33	-40.25
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291484	0	41	0.0	-55.96	353.42	9.48	-46.48
O=C([O-])CCC([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC=C1	REAL300018291485	0	49	0.0	-55.87	379.24	12.68	-43.19
COCC1=CSC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291486	0	43	0.0	-53.96	360.52	9.14	-44.82
CCCC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018291487	0	45	0.0	-52.32	370.08	11.77	-40.55
CC(C)N1C=CN=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291488	0	45	0.0	-54.16	355.77	10.13	-44.03
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=CC=C1[N+](=O)[O-]	REAL300018291489	0	44	0.0	-64.24	351.58	11.33	-52.91
CC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1Br	REAL300018291490	0	42	0.0	-57.35	354.41	11.49	-45.86
COC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1Cl	REAL300018291491	0	43	0.0	-60.18	360.45	10.16	-50.02
O=C([O-])CCC([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=CC=C1	REAL300018291492	0	42	0.0	-54.07	342.26	10.63	-43.44
O=C([O-])CCC([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=CC=C1	REAL300018291493	0	46	0.0	-55.75	373.89	11.43	-44.32
O=C([O-])CCC([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=CC=C1	REAL300018291494	0	38	0.0	-61.93	341.07	8.72	-53.21
CCC1=NN(C)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291495	0	45	0.0	-57.24	357.17	9.38	-47.86
O=C([O-])CCC([NH2+]CC1=NN2CCCCC2=C1)C1=CC=CC=C1	REAL300018291496	0	46	0.0	-52.86	359.59	9.64	-43.22
COC1=NC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018291497	0	39	0.0	-57.52	332.51	5.93	-51.59
O=C([O-])CCC([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC=C1	REAL300018291498	0	43	0.0	-57.24	346.01	11.51	-45.73
O=C([O-])CCC([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=CC=C1	REAL300018291499	0	44	0.0	-55.78	354.43	7.67	-48.11
O=C([O-])CCC([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC=C1	REAL300018291500	0	42	0.0	-59.09	358.53	11.25	-47.84
CC1=CC=CN2C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CN=C12	REAL300018291501	0	45	0.0	-60.39	363.26	11.34	-49.05
CN1C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CN=C1Cl	REAL300018291502	0	39	0.0	-60.45	331.19	9.17	-51.28
CN1C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CN=C1Br	REAL300018291503	0	39	0.0	-60.40	335.49	9.20	-51.20
O=C([O-])CCC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=CC=C1	REAL300018291504	1	45	0.0	-62.03	374.23	10.21	-51.82
O=C([O-])CCC([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC=C1	REAL300018291505	0	39	0.0	-64.38	336.04	7.64	-56.74
O=C([O-])CCC([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC=C1	REAL300018291506	0	43	0.0	-59.87	353.38	10.32	-49.55
O=C([O-])CCC([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC=C1	REAL300018291507	0	43	0.0	-60.60	353.21	10.32	-50.28
CCOC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=N1	REAL300018291508	0	45	0.0	-54.86	363.94	7.90	-46.96
CC1=C(Cl)C=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291509	0	42	0.0	-55.23	343.30	11.27	-43.96
O=C([O-])CCC([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC=C1	REAL300018291510	0	41	0.0	-59.05	346.98	10.06	-48.99
CC1=CC=CC2=NC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)N21	REAL300018291511	0	45	0.0	-59.90	353.42	11.15	-48.75
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291512	0	51	0.0	-57.22	397.94	10.90	-46.32
C=CCCCCCC(C)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291513	0	51	0.0	-51.17	382.65	12.00	-39.17
CC1=CC(Cl)=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291514	0	42	0.0	-56.24	353.05	11.47	-44.77
COCC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291515	0	46	0.0	-55.76	369.94	10.04	-45.72
COCC(CC(C)(C)C)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291516	0	51	0.0	-46.14	370.49	9.64	-36.50
O=C([O-])CCC([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC=C1	REAL300018291517	0	44	0.0	-65.56	362.33	10.75	-54.81
CC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC2=CC=CN=C12	REAL300018291518	0	47	0.0	-60.91	376.16	11.50	-49.41
CC(C)C1CCCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C1	REAL300018291519	0	51	0.0	-50.82	369.56	11.40	-39.42
CCCOC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1C	REAL300018291520	0	52	0.0	-55.97	407.84	12.08	-43.89
COC1=C(C)C=NC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1C	REAL300018291521	0	48	0.0	-52.47	377.41	9.10	-43.37
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291522	0	49	0.0	-53.68	388.83	11.94	-41.74
CS(=O)(=O)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018291523	0	42	0.0	-65.00	368.00	6.99	-58.01
O=C([O-])CCC([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC=CC=C1	REAL300018291524	0	41	0.0	-53.77	358.90	9.84	-43.93
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)O2)C=C1	REAL300018291525	0	58	0.0	-55.62	451.35	14.54	-41.08
NC1=C(F)C=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291526	0	41	0.0	-55.26	327.74	8.50	-46.76
CC1CC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CCN1CC1=CC=CC=C1	REAL300018291527	0	57	0.0	-52.49	424.17	11.48	-41.01
O=C([O-])CCC([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1	REAL300018291528	0	42	0.0	-58.75	349.04	11.24	-47.51
O=C([O-])CCC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CC=CC=C1	REAL300018291529	0	41	0.0	-61.49	354.41	8.28	-53.21
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CC1(C)CCCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC1	REAL300018291590	0	51	0.0	-51.43	354.38	10.89	-40.54
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CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291597	0	49	0.0	-60.57	410.87	12.57	-48.00
CN(C)CC1=NC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CS1	REAL300018291598	1	46	0.0	-53.00	377.55	6.99	-46.01
O=C([O-])CCC([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC=C1	REAL300018291599	0	50	0.0	-58.80	415.52	14.41	-44.39
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291600	0	56	0.0	-57.97	403.12	10.28	-47.69
COC1=CC(C)=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC	REAL300018291601	0	50	0.0	-57.78	384.61	9.96	-47.82
O=C([O-])CCC([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC=C1	REAL300018291602	0	46	0.0	-51.50	358.07	12.31	-39.19
CC1=C(Br)C=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018291603	0	39	0.0	-53.89	347.44	10.81	-43.08
O=C([O-])CCC([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300018291604	0	42	0.0	-58.74	348.25	11.18	-47.56
CC1=CC(C)=CC(CC[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291605	0	48	0.0	-55.95	379.32	12.41	-43.54
COC1=CC=C(CC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C)=C1OC	REAL300018291606	0	56	0.0	-56.55	418.17	11.05	-45.50
COC1=CC=C(N2C=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C=N2)C=C1	REAL300018291607	0	50	0.0	-61.56	403.24	10.82	-50.74
CC(CCC1=CSC=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291608	0	45	0.0	-56.18	360.83	11.22	-44.96
COCCC1=CC=C(OCC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291609	0	56	0.0	-54.42	437.05	11.06	-43.36
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291610	0	48	0.0	-53.46	378.46	12.36	-41.10
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291611	0	49	0.0	-61.36	405.70	12.80	-48.56
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291612	0	54	0.0	-54.47	435.24	13.67	-40.80
O=C([O-])CCC([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1	REAL300018291613	0	52	0.0	-58.28	406.76	13.54	-44.74
O=C([O-])CCC([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC=C1	REAL300018291614	0	45	0.0	-61.49	371.18	8.54	-52.95
CC(CC1=CN(C)N=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291615	0	45	0.0	-52.61	352.93	9.40	-43.21
CN1N=CC2=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CN=C21	REAL300018291616	0	44	0.0	-64.93	359.22	9.44	-55.49
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291617	0	48	0.0	-54.62	383.63	12.56	-42.06
CSC1=CC(Br)=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291618	0	43	0.0	-52.69	369.76	11.79	-40.90
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291619	0	51	0.0	-54.81	398.17	12.86	-41.95
COCC(CC1CCOCC1)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291620	0	53	0.0	-52.46	392.34	8.50	-43.96
CN1C=C(CCC[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018291621	0	45	0.0	-59.81	360.73	9.65	-50.16
CN1CCN(C2=NC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C=N2)CC1	REAL300018291622	0	54	0.0	-61.80	418.28	8.60	-53.20
O=C([O-])CCC([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=CC=C1	REAL300018291623	0	50	0.0	-54.88	403.51	13.81	-41.07
O=C([O-])CCC([NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C1=CC=CC=C1	REAL300018291624	1	52	0.0	-55.17	408.75	11.83	-43.34
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291625	0	48	0.0	-61.72	400.29	11.67	-50.05
CC1CCC2=C(C1)SC(C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)=N2	REAL300018291626	0	48	0.0	-52.24	384.23	10.66	-41.58
CCC1=CN=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)S1	REAL300018291627	0	41	0.0	-52.37	343.10	9.03	-43.34
O=C([O-])CCC([NH2+]C1CCC2COCCC2C1)C1=CC=CC=C1	REAL300018291628	0	50	0.0	-53.70	361.09	9.33	-44.37
CC1(C)CC2(CC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C2)CO1	REAL300018291629	0	50	0.0	-55.33	379.03	9.85	-45.48
CC1CC2(CC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C2)CO1	REAL300018291630	0	47	0.0	-54.31	358.24	9.19	-45.12
O=C([O-])CCC([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC=C1	REAL300018291631	0	47	0.0	-54.96	359.47	10.57	-44.39
O=C([O-])CCC([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC=C1	REAL300018291632	0	46	0.0	-51.75	354.88	11.26	-40.49
CN1C=NC2=CC=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=C21	REAL300018291633	0	45	0.0	-59.14	346.44	11.13	-48.01
COC1=CC=C(C)C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291634	0	46	0.0	-53.09	359.36	10.22	-42.87
O=C([O-])CCC([NH2+]CC1=NOC(C2CCC2)=C1)C1=CC=CC=C1	REAL300018291635	1	45	0.0	-54.19	360.07	10.56	-43.63
CC1(C2=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=NO2)CC1	REAL300018291636	1	45	0.0	-54.32	362.58	10.46	-43.86
CC1=CC(F)=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291637	0	42	0.0	-57.13	342.73	11.04	-46.09
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C)=C1C	REAL300018291638	0	48	0.0	-51.76	360.64	11.87	-39.89
O=C([O-])CCC([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC=C1	REAL300018291639	0	49	0.0	-57.82	371.03	10.71	-47.11
COC1=CC=C2SC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CC2=C1	REAL300018291640	0	46	0.0	-56.34	381.79	11.14	-45.20
O=C([O-])CCC([NH2+]CC1=CC(C2=CC=CC=C2)=NO1)C1=CC=CC=C1	REAL300018291641	0	45	0.0	-62.58	369.88	11.47	-51.11
CCN1CCC2=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=CC=C21	REAL300018291642	0	51	0.0	-55.56	394.21	10.93	-44.63
CC1(C)CC2(CO1)CCC([NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)CC2	REAL300018291643	0	56	0.0	-53.65	402.05	10.65	-43.00
CSC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300018291644	0	43	0.0	-59.17	370.14	11.77	-47.40
CC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1C1CC1	REAL300018291645	0	49	0.0	-53.79	381.94	12.92	-40.87
COC1=CC=CC2=C1CCCC([NH2+]C(CCC(=O)[O-])C1=CC=CC=C1)C2	REAL300018291646	0	53	0.0	-53.73	387.53	11.34	-42.39
CCOC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=N1	REAL300018291647	0	45	0.0	-59.28	363.86	7.96	-51.32
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1C1CC1	REAL300018291648	0	49	0.0	-53.63	381.95	12.92	-40.71
CC1=NN(C2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C(C)=C2)C=C1	REAL300018291649	0	52	0.0	-60.57	406.18	12.54	-48.03
O=C([O-])CCC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC=CC=C1	REAL300018291650	0	45	0.0	-59.89	386.08	12.18	-47.71
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291651	0	49	0.0	-59.76	401.38	12.45	-47.31
CC1=NN(C2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C=C2)C=C1Cl	REAL300018291652	0	49	0.0	-62.13	411.91	12.59	-49.54
O=C([O-])CCC([NH2+]CC1=CN=C(C2CCOCC2)O1)C1=CC=CC=C1	REAL300018291653	0	49	0.0	-58.06	387.19	6.77	-51.29
O=C([O-])CCC([NH2+]CC1=NOC(C2CC2)=C1)C1=CC=CC=C1	REAL300018291654	1	42	0.0	-54.33	343.45	10.04	-44.29
CC1OC2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C=C2C1C	REAL300018291655	0	50	0.0	-57.34	388.33	11.41	-45.93
CC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OC(F)F	REAL300018291656	0	46	0.0	-55.09	374.25	10.63	-44.46
CC(C)C1=CC=C(O)C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291657	0	49	0.0	-54.02	383.01	9.60	-44.42
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)NN=C1C(F)(F)F	REAL300018291658	0	42	0.0	-63.11	350.96	8.21	-54.90
O=C([O-])CCC([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC=C1	REAL300018291659	0	49	0.0	-50.38	357.35	11.34	-39.04
O=C([O-])CCC([NH2+]CC1=NC(C2CC2)=CS1)C1=CC=CC=C1	REAL300018291660	0	42	0.0	-53.10	350.83	9.54	-43.56
O=C([O-])CCC([NH2+]CC1=CN(CC2CC2)N=N1)C1=CC=CC=C1	REAL300018291661	1	45	0.0	-59.74	364.49	9.20	-50.54
O=C([O-])CCC([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC=C1	REAL300018291662	0	44	0.0	-56.23	350.77	10.16	-46.07
O=C([O-])CCC([NH2+]CC1=NC2=C(CCCC2)N1)C1=CC=CC=C1	REAL300018291663	0	46	0.0	-55.95	357.94	9.38	-46.57
O=C([O-])CCC([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC=C1	REAL300018291664	0	47	0.0	-56.27	368.62	10.39	-45.88
O=C([O-])CCC([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1	REAL300018291665	0	47	0.0	-61.66	379.20	10.15	-51.51
O=C([O-])CCC([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=CC=C1	REAL300018291666	0	53	0.0	-53.82	418.16	12.30	-41.52
CSC1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291667	0	43	0.0	-54.98	355.13	11.32	-43.66
O=C([O-])CCC([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC=C1	REAL300018291668	0	46	0.0	-56.18	368.70	12.39	-43.79
O=C([O-])CCC([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CC=CC=C1	REAL300018291669	0	46	0.0	-54.94	376.78	12.59	-42.35
O=C([O-])CCC([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC=C1	REAL300018291670	0	46	0.0	-52.50	380.19	12.56	-39.94
O=C([O-])CCC([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC=C1	REAL300018291671	0	47	0.0	-56.63	375.78	11.31	-45.32
O=C([O-])CCC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC=C1	REAL300018291672	0	43	0.0	-56.21	366.47	10.12	-46.09
O=C([O-])CCC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=CC=C1	REAL300018291673	0	45	0.0	-58.98	385.46	12.03	-46.95
CC1=NC=CN1C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018291674	0	52	0.0	-61.70	405.65	13.23	-48.47
CC1=C(C)N(C2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C=C2)C=N1	REAL300018291675	0	52	0.0	-64.03	412.71	13.91	-50.12
O=C([O-])CCC([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC=C1	REAL300018291676	0	53	0.0	-54.18	409.87	14.33	-39.85
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)OC2=CC=C(F)C=C12	REAL300018291678	0	45	0.0	-57.94	369.71	11.53	-46.41
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291679	0	45	0.0	-61.22	372.01	12.05	-49.17
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291680	0	49	0.0	-61.93	394.99	11.43	-50.50
CCCN1C=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=N1	REAL300018291681	0	45	0.0	-53.12	360.90	9.65	-43.47
CC(C)N1C=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=N1	REAL300018291682	0	45	0.0	-52.85	358.09	9.41	-43.44
CC(C)(C)C1=CN=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291683	0	50	0.0	-57.36	386.32	10.80	-46.56
O=C([O-])CCC([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=CC=C1	REAL300018291684	0	42	0.0	-57.45	357.28	9.38	-48.07
CN1C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=NC2=C1CCCC2	REAL300018291685	0	49	0.0	-55.61	377.76	10.99	-44.62
O=C([O-])CCC([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=CC=C1	REAL300018291686	0	44	0.0	-53.22	356.07	10.73	-42.49
COC1=NC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1C	REAL300018291687	0	45	0.0	-55.27	362.30	7.70	-47.57
O=C([O-])CCC([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC=C1	REAL300018291688	0	42	0.0	-62.12	352.87	11.09	-51.03
O=C([O-])CCC([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC=C1	REAL300018291689	0	47	0.0	-54.33	360.27	10.25	-44.08
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291690	0	46	0.0	-50.56	381.60	11.12	-39.44
O=C([O-])CCC([NH2+]CC1=CC2=C(CCCC2)O1)C1=CC=CC=C1	REAL300018291691	0	46	0.0	-53.72	359.27	11.14	-42.58
CCC(C)N1N=CC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291692	0	48	0.0	-57.55	376.26	10.08	-47.47
O=C([O-])CCC([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC=C1	REAL300018291693	0	52	0.0	-56.96	399.56	11.36	-45.60
O=C([O-])CCC([NH2+]C1CC2CCCCC2C1)C1=CC=CC=C1	REAL300018291694	0	49	0.0	-50.54	358.44	11.53	-39.01
COC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=CC=C1C(C)(C)C	REAL300018291695	0	55	0.0	-50.89	408.16	12.08	-38.81
CN1C=C(Br)N=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291696	1	39	0.0	-58.88	336.86	9.18	-49.70
COC1=CC(C)=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=N1	REAL300018291697	0	45	0.0	-57.06	357.01	7.63	-49.43
O=C([O-])CCC([NH2+]CC1=NC2=CC=CC=C2S1)C1=CC=CC=C1	REAL300018291698	0	41	0.0	-54.54	346.58	9.76	-44.78
COC1=CC=CC(C2CC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C2)=C1	REAL300018291699	0	50	0.0	-55.62	387.50	11.40	-44.22
CC1=NOC(C2CC([NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C2)=N1	REAL300018291700	0	44	0.0	-60.91	352.56	7.73	-53.18
O=C([O-])CCC([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC=C1	REAL300018291701	0	50	0.0	-53.53	376.41	10.05	-43.48
CCCN1C=NC=C1C[NH2+]C(CCC(=O)[O-])C1=CC=CC=C1	REAL300018291702	0	45	0.0	-54.79	353.27	11.22	-43.57
O=C([O-])CCC([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC=C1	REAL300018291703	0	46	0.0	-61.78	372.02	10.26	-51.52
O=C([O-])CCC([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC=C1	REAL300018291704	0	52	0.0	-53.24	406.11	13.83	-39.41
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291705	0	49	0.0	-60.64	411.07	11.08	-49.56
COC1=CC=C(CC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018291706	0	52	0.0	-51.90	395.17	11.43	-40.47
CCC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=NN1CC	REAL300018291707	0	48	0.0	-53.55	374.36	10.22	-43.33
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C(F)(F)F)=CO1	REAL300018291708	0	42	0.0	-53.21	352.22	10.02	-43.19
CC(F)(F)C1=CC=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291709	0	45	0.0	-57.55	367.47	11.68	-45.87
O=C([O-])CCC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC=C1	REAL300018291710	0	45	0.0	-59.73	377.85	11.08	-48.65
COC1=CC=C(CCC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C(C)=C1	REAL300018291711	0	55	0.0	-55.38	416.58	12.23	-43.15
O=C([O-])CCC([NH2+]C1CC2CCCCCC2C1)C1=CC=CC=C1	REAL300018291712	0	52	0.0	-50.57	366.69	11.87	-38.70
CC1CCC([NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)CC2=CC=CC=C21	REAL300018291713	0	52	0.0	-51.18	377.27	12.49	-38.69
O=C([O-])CCC([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC=C1	REAL300018291714	0	46	0.0	-56.24	380.45	12.73	-43.51
CCOC1=CC(CCC(C)[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1O	REAL300018291715	0	56	0.0	-58.79	427.38	10.17	-48.62
O=C([O-])CCC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=CC=C1	REAL300018291716	0	45	0.0	-57.31	372.73	12.93	-44.38
O=C([O-])CCC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=CC=CC=C1	REAL300018291717	0	50	0.0	-58.28	421.06	13.76	-44.52
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)C=C2)=C1	REAL300018291718	0	54	0.0	-60.56	433.84	12.54	-48.02
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1	REAL300018291719	0	54	0.0	-59.25	434.42	13.09	-46.16
O=C([O-])CCC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=CC=C1	REAL300018291720	0	43	0.0	-58.63	371.32	11.76	-46.87
O=C([O-])CCC([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC=C1	REAL300018291721	0	47	0.0	-56.39	368.62	10.39	-46.00
CC1=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)SC2=CC(F)=CC=C12	REAL300018291722	0	45	0.0	-55.96	373.37	12.40	-43.56
O=C([O-])CCC([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC=C1	REAL300018291723	0	45	0.0	-64.71	369.54	8.47	-56.24
COC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1OCCO	REAL300018291724	0	51	0.0	-62.45	406.89	7.34	-55.11
O=C([O-])CCC([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC=C1	REAL300018291725	0	44	0.0	-61.19	355.92	10.79	-50.40
COC1=CC(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=CC=C1OCC1CCCO1	REAL300018291726	0	58	0.0	-62.75	452.60	10.94	-51.81
CC1=CC2=CC=CC(C[NH2+]C(CCC(=O)[O-])C3=CC=CC=C3)=C2O1	REAL300018291727	0	45	0.0	-52.26	363.81	11.34	-40.92
O=C([O-])CCC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC=C1	REAL300018291728	0	42	0.0	-58.23	359.22	11.34	-46.89
CC(C)OC1=CC=C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)C=C1F	REAL300018291729	0	49	0.0	-59.86	390.72	11.32	-48.54
CC1=NN(C2CCCC2)C(C[NH2+]C(CCC(=O)[O-])C2=CC=CC=C2)=C1	REAL300018291730	0	52	0.0	-57.66	402.78	11.40	-46.26
O=C([O-])CCC([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC=C1	REAL300018291731	0	42	0.0	-54.66	341.48	9.05	-45.61
O=C([O-])CCC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=CC=C1	REAL300018291733	0	46	0.0	-60.10	380.15	11.59	-48.51
O=C([O-])CCC([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=CC=C1	REAL300018291734	0	46	0.0	-52.77	363.22	9.99	-42.78
O=C([O-])CCC([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=CC=C1	REAL300018291735	0	42	0.0	-56.83	351.25	9.21	-47.62
O=C([O-])CCC([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=CC=C1	REAL300018291736	0	43	0.0	-57.94	360.91	9.75	-48.19
O=C([O-])CCC([NH2+]C1CC2CCCC(C2)C1)C1=CC=CC=C1	REAL300018291737	0	49	0.0	-50.63	341.86	10.72	-39.91
O=C([O-])CCC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C1=CC=CC=C1	REAL300018291738	0	44	0.0	-54.02	375.39	11.29	-42.73
O=C([O-])CCC([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=CC=C1	REAL300018291739	0	49	0.0	-52.50	380.79	10.67	-41.83
O=C([O-])CCC([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=CC=C1	REAL300018291740	0	42	0.0	-58.53	348.61	10.70	-47.83
O=C([O-])CCC([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=CC=C1	REAL300018291741	0	42	0.0	-53.87	358.97	11.14	-42.73
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CC1CN(C2=CC=CC=C2C[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)CCO1	REAL300018291810	1	50	0.0	-68.46	385.13	10.45	-58.01
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COC1=CC=C2OC(C[N@@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)=CC2=C1	REAL300018291843	1	41	0.0	-78.67	338.37	10.12	-68.55
COC1=CC=C2OC(C[N@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)=CC2=C1	REAL300018291843	1	41	0.0	-76.69	336.35	10.12	-66.57
CC1=C(C[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C2=CC=CC=C2O1	REAL300018291844	0	40	0.0	-73.27	324.61	11.21	-62.06
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CC1=CC(Cl)=CC(C)=C1C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291849	1	40	0.0	-71.68	322.12	11.53	-60.15
CC1=CC(Cl)=CC(C)=C1C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291849	1	40	0.0	-73.80	324.26	11.75	-62.05
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CC(C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC(Br)=C1	REAL300018291854	1	40	0.0	-75.73	339.36	12.14	-63.59
CC(C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC(Br)=C1	REAL300018291854	1	40	0.0	-78.15	335.72	12.14	-66.01
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CC(C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC(Cl)=C1	REAL300018291876	0	40	0.0	-75.68	334.80	12.04	-63.64
CC(C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC(Cl)=C1	REAL300018291876	1	40	0.0	-78.16	331.16	12.04	-66.12
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291879	1	40	0.0	-79.32	335.09	11.91	-67.41
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291879	1	40	0.0	-75.58	332.10	11.82	-63.76
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CC(C)=CCCC(C)CC[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291889	1	49	0.0	-73.57	373.30	12.74	-60.83
CC(C)C1CC(C[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)CCO1	REAL300018291896	0	47	0.0	-75.63	345.06	10.14	-65.49
CC(C)C1CC(C[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)CCO1	REAL300018291896	1	47	0.0	-75.31	348.28	10.36	-64.95
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COC1=CC(C2=CC=CC=C2)=CC=C1C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291899	1	48	0.0	-68.30	380.61	12.97	-55.33
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CC(C)(C)C1=CC=C(CC[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018291906	0	49	0.0	-77.56	376.61	13.33	-64.23
CC(C)(C)C1=CC=C(CC[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018291906	1	49	0.0	-77.54	376.31	13.35	-64.19
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CN1C=C(C2=CC=C(C[N@@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)C=N1	REAL300018291917	1	44	0.0	-77.72	356.99	11.43	-66.29
CN1C=C(C2=CC=C(C[N@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)C=N1	REAL300018291917	1	44	0.0	-79.50	359.68	11.53	-67.97
CC(C)C(C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300018291919	0	46	0.0	-72.62	354.87	12.65	-59.97
CC(C)C(C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300018291919	1	46	0.0	-70.01	345.51	12.13	-57.88
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CCC1=CC(OC)=CC=C1C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291927	1	44	0.0	-76.33	340.31	10.70	-65.63
CCC1=CC(OC)=CC=C1C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291927	1	44	0.0	-73.97	344.04	10.87	-63.10
CN1C=C(C2=CC=C(C[N@@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)S2)C=N1	REAL300018291929	1	41	0.0	-77.75	354.98	10.99	-66.76
CN1C=C(C2=CC=C(C[N@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)S2)C=N1	REAL300018291929	1	41	0.0	-75.62	351.36	10.86	-64.76
CC1=CC=C(C[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=NN2C)=C1	REAL300018291931	1	47	0.0	-66.42	375.13	11.79	-54.63
CC1=CC=C(C[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=NN2C)=C1	REAL300018291931	1	47	0.0	-66.08	372.51	11.71	-54.37
CC(C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018291932	0	43	0.0	-82.78	353.99	12.56	-70.22
CC(C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018291932	1	43	0.0	-76.28	354.47	12.44	-63.84
CN1C=NC2=CC(C[N@@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)=CC=C21	REAL300018291937	1	40	0.0	-78.51	327.76	11.57	-66.94
CN1C=NC2=CC(C[N@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)=CC=C21	REAL300018291937	1	40	0.0	-79.35	327.85	11.57	-67.78
CN1N=NC2=CC(C[N@@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)=CC=C21	REAL300018291938	1	39	0.0	-81.58	320.78	8.58	-73.00
CN1N=NC2=CC(C[N@H+]3CC4=CC=C(C(=O)[O-])C=C4C3)=CC=C21	REAL300018291938	1	39	0.0	-86.28	323.40	8.68	-77.60
O=C([O-])C1=CC=C2C[N@H+](CCCCCOC3=CC=CC=C3)CC2=C1	REAL300018291940	0	47	0.0	-77.54	373.25	12.15	-65.39
O=C([O-])C1=CC=C2C[N@@H+](CCCCCOC3=CC=CC=C3)CC2=C1	REAL300018291940	1	47	0.0	-77.50	373.49	12.18	-65.32
O=C([O-])C1=CC=C2C[N@H+](CC3=CC=CC(OCC4=CC=C(F)C=C4F)=C3)CC2=C1	REAL300018291942	1	48	0.0	-74.70	398.20	13.64	-61.06
O=C([O-])C1=CC=C2C[N@@H+](CC3=CC=CC(OCC4=CC=C(F)C=C4F)=C3)CC2=C1	REAL300018291942	1	48	0.0	-77.06	400.89	13.74	-63.32
COCC(C)OC1=CC=C(C[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018291943	1	48	0.0	-75.38	378.45	10.33	-65.05
COCC(C)OC1=CC=C(C[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018291943	1	48	0.0	-77.80	381.15	10.44	-67.36
COC1=CC=C(C2=CC=CC=C2)C=C1C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291947	1	48	0.0	-70.72	376.81	13.25	-57.47
COC1=CC=C(C2=CC=CC=C2)C=C1C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291947	1	48	0.0	-68.16	380.58	12.95	-55.21
COC1=CC=CC(SC2=CC=CC=C2C[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018291948	1	49	0.0	-71.47	406.92	13.65	-57.82
COC1=CC=CC(SC2=CC=CC=C2C[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018291948	1	49	0.0	-71.46	407.15	13.63	-57.83
O=C([O-])C1=CC=C2C[N@H+](CC3=CC=C(OC4CCOC4)C=C3)CC2=C1	REAL300018291949	1	46	0.0	-78.37	364.91	9.88	-68.49
O=C([O-])C1=CC=C2C[N@@H+](CC3=CC=C(OC4CCOC4)C=C3)CC2=C1	REAL300018291949	1	46	0.0	-78.90	364.93	9.85	-69.05
COC1=CC=C(C2=CC=CC=C2C)C=C1C[N@@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291952	1	51	0.0	-69.64	398.59	13.92	-55.72
COC1=CC=C(C2=CC=CC=C2C)C=C1C[N@H+]1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018291952	1	51	0.0	-67.79	402.39	13.62	-54.17
CN1C=C(C[N@@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=C(F)C=C2)=N1	REAL300018291990	1	44	0.0	-72.03	364.66	11.40	-60.63
CN1C=C(C[N@H+]2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=C(F)C=C2)=N1	REAL300018291990	1	44	0.0	-81.92	362.23	11.43	-70.49
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1F	REAL300018294103	0	36	0.0	-34.52	318.83	10.17	-24.35
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C)(C)C1	REAL300018294105	0	48	0.0	-31.22	361.22	10.73	-20.49
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CC=C(Cl)C=C1	REAL300018294106	0	40	0.0	-33.30	350.49	11.57	-21.73
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294107	0	46	0.0	-33.28	380.84	11.60	-21.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(Cl)=C1OC	REAL300018294108	0	41	0.0	-35.59	363.15	9.14	-26.45
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294109	0	40	0.0	-32.79	358.18	12.05	-20.74
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=C(Cl)C=C1	REAL300018294110	1	36	0.0	-29.12	328.21	10.96	-18.16
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294111	0	43	0.0	-32.57	361.41	10.31	-22.26
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294112	0	55	0.0	-32.30	450.99	13.61	-18.69
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018294113	0	54	0.0	-31.69	423.16	13.75	-17.94
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1F	REAL300018294114	0	36	0.0	-32.98	318.84	10.16	-22.82
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(Cl)C=C1	REAL300018294115	0	37	0.0	-29.80	323.50	9.47	-20.33
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300018294116	1	32	0.0	-42.52	312.17	9.26	-33.26
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294117	0	45	0.0	-29.99	371.97	12.12	-17.87
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300018294118	0	46	0.0	-32.94	387.73	13.54	-19.40
CC1=CC(C)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294119	0	39	0.0	-30.29	334.92	10.78	-19.51
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294120	0	37	0.0	-26.33	335.71	9.30	-17.03
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1[N+](=O)[O-]	REAL300018294121	0	39	0.0	-46.76	347.64	10.20	-36.56
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300018294122	0	33	0.0	-32.31	325.57	10.47	-21.84
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294123	0	46	0.0	-30.53	386.25	13.48	-17.05
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294124	0	37	0.0	-32.75	329.46	8.98	-23.77
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OCC	REAL300018294125	0	47	0.0	-33.50	392.65	10.44	-23.06
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294126	0	45	0.0	-27.96	340.34	10.75	-17.21
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294127	0	36	0.0	-33.70	344.01	10.87	-22.83
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=C(Cl)C=C1	REAL300018294128	0	33	0.0	-31.98	312.19	10.02	-21.96
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=C(Cl)C=C1	REAL300018294129	0	36	0.0	-38.33	329.79	8.50	-29.83
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=C(Cl)C=C1	REAL300018294130	0	38	0.0	-33.26	323.36	9.57	-23.69
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294131	0	37	0.0	-31.49	338.12	9.26	-22.23
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294132	0	39	0.0	-40.01	352.83	6.99	-33.02
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294133	0	47	0.0	-33.01	399.04	12.49	-20.52
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294134	0	46	0.0	-32.85	378.85	10.79	-22.06
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294135	0	40	0.0	-34.51	351.99	11.76	-22.75
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294136	0	43	0.0	-32.82	381.76	13.37	-19.45
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC=C(Cl)C=C1	REAL300018294137	0	43	0.0	-32.90	383.06	13.39	-19.51
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300018294138	1	36	0.0	-27.86	324.41	10.11	-17.75
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(Cl)C=C1	REAL300018294140	0	38	0.0	-32.97	328.01	9.29	-23.68
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=C(Cl)C=C1	REAL300018294141	0	30	0.0	-30.50	303.77	9.14	-21.36
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294142	0	44	0.0	-34.35	366.04	9.37	-24.98
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294143	0	41	0.0	-40.18	365.70	6.17	-34.01
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(Cl)C=C1	REAL300018294144	0	37	0.0	-30.66	320.93	9.42	-21.24
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(Cl)C=C1	REAL300018294145	0	37	0.0	-31.92	321.56	9.43	-22.49
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294146	0	36	0.0	-26.54	312.26	9.82	-16.72
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=C(Cl)C=C1	REAL300018294147	0	36	0.0	-39.29	330.39	8.52	-30.77
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C2O1	REAL300018294148	0	47	0.0	-31.15	380.83	11.23	-19.92
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294149	0	48	0.0	-29.20	367.05	12.29	-16.91
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(Cl)C=C1	REAL300018294150	0	42	0.0	-32.77	359.41	11.04	-21.73
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=C(Cl)C=C1	REAL300018294151	0	42	0.0	-34.65	359.61	11.06	-23.59
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2)CC1	REAL300018294152	1	50	0.0	-31.80	401.33	8.17	-23.63
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294153	0	42	0.0	-36.08	373.55	7.97	-28.11
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CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300018294160	0	42	0.0	-31.47	354.87	9.28	-22.19
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294161	0	40	0.0	-35.47	361.75	10.12	-25.35
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O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294165	0	46	0.0	-36.41	398.28	10.97	-25.44
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COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1Cl	REAL300018294169	0	37	0.0	-31.84	335.72	9.25	-22.59
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)C1=CC=C(Cl)C=C1	REAL300018294170	0	39	0.0	-33.17	369.71	10.98	-22.19
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294172	0	36	0.0	-32.12	339.19	6.84	-25.28
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294173	0	36	0.0	-34.31	317.86	6.23	-28.08
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC=C(Cl)C=C1	REAL300018294174	0	32	0.0	-27.85	308.43	8.23	-19.62
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(Cl)C=C1	REAL300018294176	0	38	0.0	-33.19	324.85	9.63	-23.56
O=C([O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294177	0	40	0.0	-32.54	363.05	10.15	-22.39
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=C(Cl)C=C1	REAL300018294178	0	39	0.0	-33.08	335.07	8.67	-24.41
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=C(Cl)C=C1	REAL300018294179	0	42	0.0	-27.60	352.40	9.42	-18.18
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294180	0	40	0.0	-32.10	351.56	11.69	-20.41
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294181	0	40	0.0	-31.94	356.12	11.80	-20.14
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=C(Cl)C=C1	REAL300018294182	0	40	0.0	-32.16	349.80	11.60	-20.56
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294183	0	41	0.0	-35.76	359.98	10.71	-25.05
O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294184	0	44	0.0	-35.73	368.35	7.78	-27.95
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294185	0	43	0.0	-30.00	364.97	10.49	-19.51
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294186	0	42	0.0	-32.72	369.46	10.98	-21.74
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=C(Cl)C=C1	REAL300018294187	1	40	0.0	-30.19	356.86	12.01	-18.18
O=C([O-])C([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1=CC=C(Cl)C=C1	REAL300018294188	0	40	0.0	-32.20	366.90	12.18	-20.02
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=NC2=NN1	REAL300018294189	0	38	0.0	-44.84	335.18	7.97	-36.87
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=C(Cl)C=C1	REAL300018294190	0	47	0.0	-29.36	384.92	11.62	-17.74
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=C(Cl)C=C1	REAL300018294192	0	36	0.0	-36.32	318.98	9.89	-26.43
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294194	0	43	0.0	-30.10	361.40	10.31	-19.79
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=CC=C(Cl)C=C1	REAL300018294198	0	47	0.0	-31.68	405.17	12.85	-18.83
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294201	0	42	0.0	-32.57	355.36	11.64	-20.93
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294202	0	45	0.0	-31.50	368.47	12.17	-19.33
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294203	0	45	0.0	-35.71	388.01	12.59	-23.12
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294204	0	45	0.0	-31.42	368.46	12.19	-19.23
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(Cl)C=C1	REAL300018294205	0	36	0.0	-32.03	301.38	8.94	-23.09
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300018294206	0	48	0.0	-32.79	386.09	10.06	-22.73
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294207	1	45	0.0	-52.80	360.17	9.94	-42.86
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CC=C(Cl)C=C1	REAL300018294210	0	40	0.0	-35.23	364.44	12.25	-22.98
O=C([O-])C([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1=CC=C(Cl)C=C1	REAL300018294211	0	45	0.0	-33.09	368.81	9.80	-23.29
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=C(Cl)C=C1	REAL300018294212	0	37	0.0	-35.19	328.16	7.87	-27.32
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=C(Cl)C=C1	REAL300018294213	1	36	0.0	-36.47	333.88	10.41	-26.06
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294215	1	47	0.0	-50.43	364.15	9.73	-40.70
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C(C)S1	REAL300018294216	0	36	0.0	-29.80	321.21	9.98	-19.82
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)S2)C=C1	REAL300018294217	1	43	0.0	-32.94	380.04	12.88	-20.06
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294218	0	37	0.0	-29.77	353.06	9.87	-19.90
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294219	0	39	0.0	-34.94	349.28	10.24	-24.70
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC	REAL300018294220	0	48	0.0	-36.17	405.88	9.52	-26.65
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC=C(Cl)C=C1	REAL300018294221	0	47	0.0	-33.60	379.02	8.25	-25.35
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294222	0	47	0.0	-53.55	359.48	9.26	-44.29
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1SC	REAL300018294223	0	41	0.0	-33.84	361.03	9.81	-24.03
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1OC	REAL300018294224	0	50	0.0	-33.81	409.47	10.93	-22.88
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1OC	REAL300018294225	0	48	0.0	-34.64	405.03	10.94	-23.70
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OCCC(C)C	REAL300018294226	0	53	0.0	-33.21	431.35	11.62	-21.59
O=C([O-])C([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294227	0	54	0.0	-32.97	413.43	5.55	-27.42
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1OC	REAL300018294228	0	47	0.0	-34.31	395.70	9.67	-24.64
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(Cl)C=C1	REAL300018294229	0	40	0.0	-35.52	351.51	9.38	-26.14
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294230	0	45	0.0	-33.24	365.27	12.13	-21.11
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294233	0	45	0.0	-33.98	385.79	12.50	-21.48
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1Cl	REAL300018294234	0	41	0.0	-32.30	372.40	10.82	-21.48
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C2OC(C)CC2=C1	REAL300018294236	0	45	0.0	-32.60	377.25	9.31	-23.29
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C2=CC=CC=C21	REAL300018294237	0	39	0.0	-33.96	340.76	9.35	-24.61
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=C(Cl)C=C1	REAL300018294238	0	36	0.0	-35.21	319.01	8.07	-27.14
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1F	REAL300018294239	0	41	0.0	-32.45	353.02	9.01	-23.44
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=C(Cl)C=C1	REAL300018294240	1	36	0.0	-30.39	327.36	8.89	-21.50
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294241	1	54	0.0	-50.76	397.76	11.22	-39.54
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294242	0	48	0.0	-36.16	391.93	12.88	-23.28
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C2O1	REAL300018294243	0	44	0.0	-32.97	369.53	10.71	-22.26
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294246	0	36	0.0	-33.91	316.99	9.69	-24.22
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC(C(F)(F)F)=C1	REAL300018294247	0	40	0.0	-33.00	360.34	9.75	-23.25
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C1=CC=C(Cl)C=C1	REAL300018294248	0	33	0.0	-32.12	325.23	10.50	-21.62
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294249	0	42	0.0	-25.99	344.17	10.15	-15.84
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)N1C	REAL300018294250	0	41	0.0	-34.67	344.58	8.85	-25.82
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294252	0	46	0.0	-32.31	385.10	11.19	-21.12
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294253	0	44	0.0	-34.75	375.80	8.93	-25.82
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294254	0	42	0.0	-36.73	374.56	12.25	-24.48
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300018294255	0	45	0.0	-30.65	345.78	10.65	-20.00
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300018294256	0	37	0.0	-34.42	347.40	9.58	-24.84
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294257	0	44	0.0	-29.06	355.09	10.36	-18.70
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=C(Cl)C=C1	REAL300018294258	0	40	0.0	-30.97	337.66	11.37	-19.60
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294259	0	42	0.0	-28.08	338.59	11.13	-16.95
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294260	0	42	0.0	-28.18	343.58	11.36	-16.82
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)OCO2	REAL300018294261	0	40	0.0	-31.13	346.27	7.47	-23.66
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC	REAL300018294262	0	41	0.0	-27.86	361.39	9.10	-18.76
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294264	0	46	0.0	-29.90	385.08	11.18	-18.72
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=C(Cl)C=C1	REAL300018294265	0	39	0.0	-32.13	335.27	11.55	-20.58
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC	REAL300018294266	0	45	0.0	-36.47	405.58	10.83	-25.64
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1CN1C=CC=N1	REAL300018294267	0	47	0.0	-34.85	404.33	10.45	-24.40
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=C2O1	REAL300018294268	0	44	0.0	-26.13	367.44	10.62	-15.51
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=C(Cl)C=C1	REAL300018294270	1	32	0.0	-32.03	300.55	8.22	-23.81
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=C(Cl)C=C1	REAL300018294271	0	32	0.0	-32.79	298.64	8.15	-24.64
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=C(Cl)C=C1	REAL300018294272	0	33	0.0	-32.51	318.52	10.11	-22.40
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294273	0	39	0.0	-37.62	346.30	11.20	-26.42
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300018294274	0	37	0.0	-34.19	323.77	8.02	-26.17
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=C(Cl)C=C1	REAL300018294275	0	40	0.0	-31.47	348.55	10.60	-20.87
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=C(Cl)C=C1	REAL300018294276	0	38	0.0	-34.91	333.12	9.93	-24.98
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294277	0	33	0.0	-28.89	322.32	9.87	-19.02
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=C(Cl)C=C1	REAL300018294279	0	37	0.0	-35.29	318.15	9.04	-26.25
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294280	0	41	0.0	-44.67	345.72	5.28	-39.39
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294281	0	37	0.0	-32.19	326.11	8.77	-23.42
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294282	0	37	0.0	-36.51	311.28	6.87	-29.64
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300018294283	0	43	0.0	-34.29	363.74	9.42	-24.87
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294284	0	49	0.0	-33.01	388.10	9.35	-23.66
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(Cl)=C1	REAL300018294285	0	36	0.0	-30.20	322.71	10.47	-19.73
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300018294286	0	35	0.0	-38.63	330.86	10.44	-28.19
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300018294287	0	36	0.0	-37.25	329.03	10.72	-26.53
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1OC1=CC=CN=C1	REAL300018294288	0	46	0.0	-34.84	393.35	11.11	-23.73
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=C(Cl)C=C1	REAL300018294290	0	38	0.0	-27.96	348.59	10.50	-17.46
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=C(Cl)C=C1	REAL300018294291	0	38	0.0	-29.01	344.56	10.35	-18.66
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294292	0	38	0.0	-45.81	344.35	8.06	-37.75
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(Cl)C=C1	REAL300018294293	1	35	0.0	-31.09	332.20	10.61	-20.48
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CCO1	REAL300018294297	0	43	0.0	-31.03	340.34	8.54	-22.49
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=C(Cl)C=C1	REAL300018294298	0	43	0.0	-29.78	352.88	11.89	-17.89
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294299	0	52	0.0	-27.94	381.35	12.63	-15.31
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294300	0	47	0.0	-31.11	362.31	10.77	-20.34
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294301	0	42	0.0	-33.54	349.53	11.44	-22.10
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1C(C)(C)C	REAL300018294302	0	49	0.0	-31.08	392.79	11.44	-19.64
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294304	0	46	0.0	-29.30	370.59	10.54	-18.76
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCC1	REAL300018294305	0	45	0.0	-30.98	346.04	10.85	-20.13
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294306	0	38	0.0	-39.78	345.00	4.39	-35.39
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=C(Cl)C=C1	REAL300018294307	0	40	0.0	-33.22	342.12	11.37	-21.85
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300018294308	0	43	0.0	-30.24	353.28	10.15	-20.09
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294309	0	40	0.0	-31.13	341.69	9.48	-21.65
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294310	0	35	0.0	-28.19	328.83	8.62	-19.57
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294311	0	43	0.0	-34.05	357.01	11.77	-22.28
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294312	0	37	0.0	-30.58	337.66	8.29	-22.29
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300018294313	1	39	0.0	-27.80	345.91	10.89	-16.91
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018294315	0	38	0.0	-33.97	329.73	10.57	-23.40
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1Br	REAL300018294316	0	36	0.0	-32.14	331.62	10.65	-21.49
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1Cl	REAL300018294317	0	37	0.0	-34.08	337.65	9.31	-24.77
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=C(Cl)C=C1	REAL300018294318	0	36	0.0	-34.48	319.47	9.79	-24.69
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=C(Cl)C=C1	REAL300018294320	0	32	0.0	-34.07	318.21	7.87	-26.20
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294321	0	39	0.0	-33.62	334.07	8.53	-25.09
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294323	0	39	0.0	-30.14	335.00	10.89	-19.25
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=C(Cl)C=C1	REAL300018294325	0	37	0.0	-33.27	330.51	11.00	-22.27
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=C(Cl)C=C1	REAL300018294326	0	38	0.0	-34.59	329.62	6.75	-27.84
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=C(Cl)C=C1	REAL300018294327	0	36	0.0	-31.96	333.75	10.34	-21.62
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=CN=C12	REAL300018294328	0	39	0.0	-32.35	340.40	10.49	-21.86
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CN=C1Cl	REAL300018294329	0	33	0.0	-34.91	307.15	8.29	-26.62
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CN=C1Br	REAL300018294330	0	33	0.0	-34.92	311.44	8.32	-26.60
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=C(Cl)C=C1	REAL300018294332	0	33	0.0	-35.20	311.86	6.76	-28.44
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=C(Cl)C=C1	REAL300018294333	0	37	0.0	-32.26	329.21	9.45	-22.81
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=C(Cl)C=C1	REAL300018294334	0	37	0.0	-33.42	329.11	9.44	-23.98
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300018294335	0	39	0.0	-28.12	341.16	7.05	-21.07
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294336	0	36	0.0	-29.14	320.97	10.50	-18.64
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=C(Cl)C=C1	REAL300018294337	0	35	0.0	-35.20	322.31	9.15	-26.05
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)N21	REAL300018294338	0	39	0.0	-29.30	319.97	10.02	-19.28
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294339	0	45	0.0	-34.22	376.02	10.15	-24.07
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294340	0	45	0.0	-30.41	361.56	11.35	-19.06
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294341	0	36	0.0	-32.88	330.25	10.63	-22.25
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294342	0	40	0.0	-32.46	347.20	9.19	-23.27
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294343	0	45	0.0	-26.78	345.43	8.40	-18.38
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=C(Cl)C=C1	REAL300018294344	0	38	0.0	-36.45	339.54	9.90	-26.55
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC2=CC=CN=C12	REAL300018294345	0	41	0.0	-35.62	351.44	10.59	-25.03
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300018294346	0	45	0.0	-31.11	345.50	10.50	-20.61
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1C	REAL300018294347	0	46	0.0	-32.15	385.05	11.23	-20.92
COC1=C(C)C=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C	REAL300018294348	0	42	0.0	-32.74	354.81	8.28	-24.46
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294349	0	43	0.0	-28.15	365.94	11.09	-17.06
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300018294350	0	36	0.0	-36.78	343.90	6.12	-30.66
O=C([O-])C([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC=C(Cl)C=C1	REAL300018294351	0	35	0.0	-34.15	334.72	8.97	-25.18
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294353	0	35	0.0	-29.50	306.76	7.56	-21.94
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CCN1CC1=CC=CC=C1	REAL300018294354	0	51	0.0	-31.00	401.27	10.65	-20.35
CC1CC(NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018294354	1	51	0.0	-50.90	401.93	12.26	-38.64
CC1CC(NC(C(=O)[O-])C2=CC=C(Cl)C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018294354	1	51	0.0	-51.62	404.09	11.80	-39.82
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294355	0	36	0.0	-35.63	326.30	10.40	-25.23
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=C(Cl)C=C1	REAL300018294357	0	40	0.0	-29.48	336.33	11.29	-18.19
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CC=C(Cl)C=C1	REAL300018294360	0	36	0.0	-31.82	338.31	10.44	-21.38
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=C(Cl)C=C1	REAL300018294361	0	38	0.0	-33.48	329.85	9.74	-23.74
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294362	0	51	0.0	-32.72	425.66	14.20	-18.52
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1F	REAL300018294363	0	47	0.0	-31.35	389.47	10.46	-20.89
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C(SC)C=C1OC	REAL300018294364	0	45	0.0	-32.42	384.90	9.57	-22.85
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)CC2)C=C1	REAL300018294365	0	53	0.0	-33.02	408.64	10.06	-22.96
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294366	0	44	0.0	-34.72	368.27	11.93	-22.79
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC(C2=CC=CC=C2)C1	REAL300018294367	0	49	0.0	-27.79	367.67	12.81	-14.98
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC2=CC=CC=C21	REAL300018294370	0	43	0.0	-32.25	364.67	11.00	-21.25
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294371	0	39	0.0	-32.44	336.48	7.81	-24.63
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294372	0	40	0.0	-32.28	348.59	9.72	-22.56
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294373	0	43	0.0	-35.43	356.29	10.01	-25.42
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294374	0	40	0.0	-31.68	343.12	9.08	-22.60
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(Cl)C=C1	REAL300018294375	1	42	0.0	-50.97	332.30	8.78	-42.19
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(Cl)C=C1	REAL300018294375	1	42	0.0	-52.20	334.40	8.86	-43.34
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294376	0	49	0.0	-31.55	359.47	11.30	-20.25
CC([NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)C(C)C1=CC=CC=C1	REAL300018294377	0	42	0.0	-31.82	340.63	11.04	-20.78
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=C(Cl)C=C1	REAL300018294378	0	41	0.0	-35.93	344.92	10.51	-25.42
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=CC=C12	REAL300018294379	0	43	0.0	-30.43	360.14	10.92	-19.51
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=C(Cl)C=C1	REAL300018294380	0	40	0.0	-29.39	340.34	9.48	-19.91
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294381	0	41	0.0	-33.96	343.76	9.76	-24.20
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294382	0	42	0.0	-29.48	350.41	11.32	-18.16
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1	REAL300018294384	0	44	0.0	-34.89	369.43	12.44	-22.45
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294385	0	47	0.0	-33.49	351.00	8.95	-24.54
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C	REAL300018294386	0	39	0.0	-31.61	327.52	7.54	-24.07
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=C(Cl)C=C1	REAL300018294387	0	36	0.0	-32.97	332.50	10.68	-22.29
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=C(Cl)C=C1	REAL300018294389	0	33	0.0	-35.10	322.97	9.77	-25.33
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)NC2=CC=C1	REAL300018294390	0	40	0.0	-32.66	343.63	10.01	-22.65
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294391	0	43	0.0	-34.24	343.29	8.73	-25.51
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294392	0	33	0.0	-32.05	322.73	9.60	-22.45
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300018294393	0	46	0.0	-29.95	374.78	10.94	-19.01
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC1CC1	REAL300018294394	0	45	0.0	-34.96	379.98	10.27	-24.69
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294395	0	46	0.0	-31.26	347.98	10.93	-20.33
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=C(Cl)C=C1	REAL300018294396	0	35	0.0	-34.88	319.60	8.49	-26.39
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=C(Cl)C=C1	REAL300018294397	0	43	0.0	-30.54	342.47	11.42	-19.12
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294399	0	45	0.0	-30.80	337.19	10.14	-20.66
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=C(Cl)C=C1	REAL300018294400	0	43	0.0	-35.20	342.56	11.42	-23.78
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(F)F)=N1	REAL300018294401	0	36	0.0	-36.29	322.93	8.11	-28.18
CC([NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCCCC1	REAL300018294402	0	45	0.0	-29.30	336.14	10.67	-18.63
CC([NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018294403	0	45	0.0	-30.35	377.48	11.79	-18.56
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294404	0	48	0.0	-31.20	353.64	10.69	-20.51
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=C(Cl)C=C1	REAL300018294405	0	41	0.0	-30.39	338.95	9.42	-20.97
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294406	0	40	0.0	-35.12	346.40	11.62	-23.50
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294407	0	42	0.0	-38.52	354.37	11.10	-27.42
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294408	0	38	0.0	-37.26	346.30	4.41	-32.85
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294409	0	39	0.0	-30.77	330.02	8.70	-22.07
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)NC2=C1	REAL300018294410	0	40	0.0	-32.82	345.39	10.06	-22.76
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=C(Cl)C=C1	REAL300018294411	0	37	0.0	-32.01	317.29	8.03	-23.98
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294414	0	49	0.0	-32.51	379.13	12.66	-19.85
CC1=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2)=CC(C)=C1	REAL300018294416	0	49	0.0	-32.69	409.16	14.20	-18.49
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1N1C=NC=N1	REAL300018294417	0	42	0.0	-39.01	364.58	12.94	-26.07
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294418	0	45	0.0	-32.00	340.06	10.51	-21.49
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294419	0	45	0.0	-31.41	331.61	10.05	-21.36
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC1	REAL300018294420	0	51	0.0	-32.14	369.76	11.22	-20.92
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294422	0	40	0.0	-38.03	356.51	10.01	-28.02
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=C(Cl)C=C1	REAL300018294423	0	40	0.0	-34.84	356.06	7.76	-27.08
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(Br)=C1	REAL300018294424	0	37	0.0	-31.59	332.73	9.15	-22.44
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294425	0	40	0.0	-31.04	345.25	9.12	-21.92
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294426	0	43	0.0	-35.40	388.10	11.73	-23.67
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294428	0	44	0.0	-33.55	391.42	13.53	-20.02
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294429	0	50	0.0	-37.94	400.91	10.43	-27.51
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294430	0	39	0.0	-35.01	335.03	10.91	-24.10
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC	REAL300018294431	0	44	0.0	-32.18	362.26	9.16	-23.02
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=C(Cl)C=C1	REAL300018294432	0	40	0.0	-28.99	331.35	11.35	-17.64
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)S1	REAL300018294433	0	33	0.0	-30.42	324.70	9.96	-20.46
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=C(Cl)C=C1	REAL300018294434	0	36	0.0	-34.02	325.52	10.34	-23.68
CC1=CC(C)=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294435	0	42	0.0	-34.94	356.47	11.56	-23.38
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1OC	REAL300018294436	0	50	0.0	-33.12	400.26	10.52	-22.60
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=N2)C=C1	REAL300018294437	0	44	0.0	-34.30	378.51	9.91	-24.39
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294438	0	39	0.0	-32.20	338.94	10.50	-21.70
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294439	0	50	0.0	-29.56	413.72	10.19	-19.37
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294440	0	42	0.0	-35.49	361.89	11.80	-23.69
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294441	0	43	0.0	-36.96	382.67	11.94	-25.02
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294442	0	46	0.0	-31.52	378.43	12.99	-18.53
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C(Cl)C=C1	REAL300018294443	0	39	0.0	-37.20	348.30	7.69	-29.51
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294444	0	39	0.0	-32.44	330.08	8.49	-23.95
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=CN=C21	REAL300018294445	0	38	0.0	-37.25	336.42	8.59	-28.66
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294446	0	42	0.0	-33.96	356.51	11.61	-22.35
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294447	0	45	0.0	-37.02	379.25	12.15	-24.87
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294448	0	47	0.0	-30.56	364.17	8.46	-22.10
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300018294449	0	39	0.0	-35.70	336.01	8.74	-26.96
CN1CCN(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=N2)CC1	REAL300018294450	0	48	0.0	-35.45	395.49	7.74	-27.71
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=C(Cl)C=C1	REAL300018294451	0	44	0.0	-34.23	379.75	12.89	-21.34
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=C(Cl)C=C1	REAL300018294456	0	44	0.0	-29.84	337.17	8.99	-20.85
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CO1	REAL300018294457	0	44	0.0	-32.67	356.05	8.96	-23.71
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)CO1	REAL300018294458	0	41	0.0	-35.86	328.47	8.04	-27.82
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=C(Cl)C=C1	REAL300018294459	0	41	0.0	-31.49	336.29	9.68	-21.81
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=C(Cl)C=C1	REAL300018294460	0	40	0.0	-35.64	335.07	10.62	-25.02
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=C21	REAL300018294461	0	39	0.0	-33.14	328.60	10.65	-22.49
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294462	0	40	0.0	-28.30	331.42	9.21	-19.09
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294465	0	39	0.0	-28.36	322.58	10.65	-17.71
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294466	0	36	0.0	-33.33	318.01	10.14	-23.19
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1C	REAL300018294467	0	42	0.0	-28.10	336.67	11.03	-17.07
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=C(Cl)C=C1	REAL300018294468	0	43	0.0	-30.18	348.18	9.87	-20.31
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC2=C1	REAL300018294469	0	40	0.0	-31.35	359.07	10.28	-21.07
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=CC=C21	REAL300018294471	0	45	0.0	-31.24	369.50	10.03	-21.21
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)CC2	REAL300018294472	0	50	0.0	-32.29	378.64	9.75	-22.54
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1Cl	REAL300018294473	0	37	0.0	-32.11	347.34	10.93	-21.18
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1C1CC1	REAL300018294474	0	43	0.0	-30.02	357.22	12.02	-18.00
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1)C2	REAL300018294475	0	47	0.0	-36.46	371.38	10.84	-25.62
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=N1	REAL300018294476	0	39	0.0	-35.26	339.13	7.04	-28.22
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1C1CC1	REAL300018294477	0	43	0.0	-30.12	356.63	12.03	-18.09
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C(C)=C2)C=C1	REAL300018294478	0	46	0.0	-36.38	383.55	11.66	-24.72
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294479	0	39	0.0	-33.79	363.34	11.34	-22.45
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294480	0	43	0.0	-35.32	379.13	11.66	-23.66
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2)C=C1Cl	REAL300018294481	0	43	0.0	-37.52	387.73	11.71	-25.81
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2C1C	REAL300018294484	0	44	0.0	-32.92	365.52	10.56	-22.36
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OC(F)F	REAL300018294485	0	40	0.0	-35.28	351.44	9.79	-25.49
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294486	0	43	0.0	-32.72	360.01	8.77	-23.95
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)NN=C1C(F)(F)F	REAL300018294487	0	36	0.0	-34.39	328.19	7.29	-27.10
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=C(Cl)C=C1	REAL300018294488	0	43	0.0	-31.08	333.43	10.42	-20.66
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1O	REAL300018294489	0	37	0.0	-32.64	321.29	7.30	-25.34
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=C(Cl)C=C1	REAL300018294492	0	38	0.0	-30.60	326.04	9.24	-21.36
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=C(Cl)C=C1	REAL300018294494	0	41	0.0	-31.43	343.91	9.49	-21.94
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=C(Cl)C=C1	REAL300018294495	0	41	0.0	-35.64	354.48	9.25	-26.39
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294496	0	47	0.0	-32.86	395.36	11.41	-21.45
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294497	0	37	0.0	-29.53	330.41	10.42	-19.11
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=C(Cl)C=C1	REAL300018294498	0	40	0.0	-35.09	345.70	11.48	-23.61
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CC=C(Cl)C=C1	REAL300018294499	0	40	0.0	-32.12	353.80	11.70	-20.42
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=C(Cl)C=C1	REAL300018294500	0	40	0.0	-27.94	356.01	11.68	-16.26
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294501	0	41	0.0	-31.97	351.36	10.40	-21.57
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=C(Cl)C=C1	REAL300018294502	0	37	0.0	-34.58	343.69	9.27	-25.31
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294503	0	39	0.0	-30.85	361.38	11.28	-19.57
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300018294504	0	46	0.0	-35.82	385.47	12.44	-23.38
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2)C=N1	REAL300018294505	0	46	0.0	-38.07	389.87	13.07	-25.00
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=C(Cl)C=C1	REAL300018294506	0	47	0.0	-30.17	385.17	13.43	-16.74
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294509	0	39	0.0	-38.28	348.24	11.28	-27.00
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294510	0	43	0.0	-35.40	372.21	10.58	-24.82
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=N1	REAL300018294511	1	39	0.0	-28.69	336.72	8.77	-19.92
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294513	0	44	0.0	-30.73	361.59	9.90	-20.83
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294514	1	36	0.0	-32.86	334.42	8.53	-24.33
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=C(Cl)C=C1	REAL300018294516	0	38	0.0	-33.84	331.35	9.83	-24.01
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1C	REAL300018294517	0	39	0.0	-34.88	337.50	6.78	-28.10
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=C(Cl)C=C1	REAL300018294518	0	36	0.0	-30.17	330.71	10.39	-19.78
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=C(Cl)C=C1	REAL300018294519	0	41	0.0	-31.56	335.07	9.36	-22.20
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294520	0	40	0.0	-30.00	357.54	10.22	-19.78
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294522	0	42	0.0	-32.07	353.46	9.22	-22.85
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294523	0	46	0.0	-33.72	374.84	10.45	-23.27
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=C(Cl)C=C1	REAL300018294524	0	43	0.0	-29.16	336.39	10.67	-18.49
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=CC=C1C(C)(C)C	REAL300018294525	0	49	0.0	-28.08	384.26	11.15	-16.93
CN1C=C(Br)N=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294526	1	33	0.0	-38.70	312.41	8.27	-30.43
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300018294527	0	39	0.0	-31.31	331.29	6.69	-24.62
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)=C1	REAL300018294529	0	44	0.0	-35.34	364.32	10.47	-24.87
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C2)=N1	REAL300018294530	0	38	0.0	-37.51	331.37	6.92	-30.59
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=C(Cl)C=C1	REAL300018294531	0	44	0.0	-33.81	348.79	9.00	-24.81
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294532	0	39	0.0	-28.85	328.47	10.29	-18.56
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=C(Cl)C=C1	REAL300018294533	0	40	0.0	-37.00	349.22	9.41	-27.59
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294534	0	46	0.0	-30.37	383.21	12.98	-17.39
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300018294535	0	46	0.0	-34.36	366.70	10.20	-24.16
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=NN1CC	REAL300018294536	0	42	0.0	-29.03	349.84	9.34	-19.69
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C(F)(F)F)=CO1	REAL300018294537	0	36	0.0	-25.41	329.23	9.18	-16.23
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294538	0	39	0.0	-30.43	343.40	10.92	-19.51
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294539	0	39	0.0	-33.29	355.04	10.24	-23.05
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C(C)=C1	REAL300018294540	0	49	0.0	-33.56	393.75	11.32	-22.24
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=C(Cl)C=C1	REAL300018294541	0	46	0.0	-29.10	343.79	10.98	-18.12
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)CC2=CC=CC=C21	REAL300018294542	0	46	0.0	-34.99	352.43	11.68	-23.31
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294543	0	40	0.0	-32.40	357.71	11.89	-20.51
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1O	REAL300018294544	0	50	0.0	-36.38	411.07	9.62	-26.76
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=C(Cl)C=C1	REAL300018294545	0	39	0.0	-32.06	346.40	12.02	-20.04
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300018294546	0	48	0.0	-33.92	410.34	11.62	-22.30
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294547	0	48	0.0	-34.86	411.44	12.24	-22.62
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=C(Cl)C=C1	REAL300018294548	0	37	0.0	-31.36	346.60	10.86	-20.50
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=C(Cl)C=C1	REAL300018294549	0	41	0.0	-32.46	345.82	9.55	-22.91
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)SC2=CC(F)=CC=C12	REAL300018294550	0	39	0.0	-33.45	350.74	11.53	-21.92
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=C(Cl)C=C1	REAL300018294551	0	39	0.0	-37.30	345.41	7.59	-29.71
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=C(Cl)C=C1	REAL300018294552	0	36	0.0	-35.27	316.26	8.94	-26.33
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)N=C1	REAL300018294553	0	38	0.0	-27.26	330.03	9.04	-18.22
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1OCCO	REAL300018294554	0	45	0.0	-36.85	384.09	6.50	-30.35
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=C(Cl)C=C1	REAL300018294555	0	38	0.0	-35.31	333.11	9.93	-25.38
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)=C2O1	REAL300018294556	0	39	0.0	-27.41	340.02	10.58	-16.83
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=C(Cl)C=C1	REAL300018294557	0	36	0.0	-36.22	335.12	10.46	-25.76
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1F	REAL300018294558	0	43	0.0	-32.81	365.71	10.33	-22.48
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1	REAL300018294559	0	46	0.0	-29.97	377.00	10.46	-19.51
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=C(Cl)C=C1	REAL300018294560	0	36	0.0	-33.80	324.70	8.10	-25.70
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294562	0	40	0.0	-34.74	355.44	10.68	-24.06
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294564	1	36	0.0	-31.24	328.22	8.30	-22.94
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294565	1	37	0.0	-31.99	338.06	8.90	-23.09
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=C(Cl)C=C1	REAL300018294566	0	43	0.0	-31.89	325.03	10.21	-21.68
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=C(Cl)C=C1	REAL300018294568	0	36	0.0	-30.39	325.88	9.85	-20.54
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300018294569	0	36	0.0	-32.41	334.89	10.26	-22.15
COC1=CC=CC(CN2CCC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)CC2)=C1	REAL300018294570	0	52	0.0	-31.90	410.88	9.06	-22.84
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018294571	0	37	0.0	-31.85	321.23	10.69	-21.16
O=C([O-])C([NH2+]CC1=CN=C2C=C(Br)C=CN12)C1=CC=C(Cl)C=C1	REAL300018294573	0	36	0.0	-36.21	340.30	10.51	-25.70
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294575	0	49	0.0	-30.29	393.99	13.27	-17.02
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294576	0	43	0.0	-31.12	359.87	9.82	-21.30
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294577	0	41	0.0	-32.38	351.53	10.11	-22.27
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=C(Cl)C=C1	REAL300018294578	0	41	0.0	-35.62	359.38	9.74	-25.88
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300018294580	0	47	0.0	-31.59	354.37	7.92	-23.67
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294581	0	46	0.0	-31.88	393.61	13.89	-17.99
O=C([O-])C([NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)C1=CC=C(Cl)C=C1	REAL300018294582	0	44	0.0	-35.44	379.95	10.99	-24.45
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=C(Cl)C=C1	REAL300018294583	0	42	0.0	-28.68	360.41	11.02	-17.66
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3=CC=C(Cl)C=C3)CC2)C=C1	REAL300018294584	0	49	0.0	-29.50	383.11	13.19	-16.31
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=C(Cl)C=C1	REAL300018294585	0	36	0.0	-32.81	320.12	10.28	-22.53
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CC=C(Cl)C=C1	REAL300018294586	0	37	0.0	-33.43	354.14	9.81	-23.62
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=C(Cl)C=C1	REAL300018294587	0	36	0.0	-32.24	327.12	10.78	-21.46
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294588	0	42	0.0	-34.72	360.23	11.10	-23.62
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294589	0	39	0.0	-32.44	330.08	8.49	-23.95
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC=C(Cl)C=C1	REAL300018294590	0	41	0.0	-30.87	326.13	10.51	-20.36
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C(F)(F)F	REAL300018294591	0	39	0.0	-34.90	335.70	11.03	-23.87
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=N1	REAL300018294592	0	37	0.0	-35.33	327.34	8.62	-26.71
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=C(Cl)C=C1	REAL300018294593	0	36	0.0	-33.73	316.43	8.11	-25.62
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018294594	0	45	0.0	-29.99	369.49	12.02	-17.97
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CC=C(Cl)C=C1	REAL300018294595	0	44	0.0	-33.43	342.23	8.68	-24.75
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=C(Cl)C=C1	REAL300018294597	0	43	0.0	-29.21	347.46	11.82	-17.39
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294598	0	40	0.0	-34.21	350.69	11.30	-22.91
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294599	0	39	0.0	-42.81	343.19	9.34	-33.47
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)C=CC2=CC=CC=C12	REAL300018294600	0	42	0.0	-29.57	345.26	12.03	-17.54
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294601	0	51	0.0	-32.01	414.03	11.02	-20.99
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294602	0	41	0.0	-27.85	351.75	8.89	-18.96
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CC=C(Cl)C=C1	REAL300018294603	0	46	0.0	-32.52	379.74	6.47	-26.05
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=C1C	REAL300018294604	0	42	0.0	-30.16	355.15	9.28	-20.88
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Cl)C=C2)=CN=C1N1C=CC=N1	REAL300018294605	0	42	0.0	-37.30	364.25	10.80	-26.50
O=C([O-])C([NH2+]C1CCC1CC1=CC=CC=C1)C1=CC=C(Cl)C=C1	REAL300018294606	0	43	0.0	-32.04	350.68	12.15	-19.89
CCCN1N=C(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018294607	0	42	0.0	-29.67	351.94	9.28	-20.39
CSC1=CC=CC=C1CC(C)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294610	0	40	0.0	-65.78	336.13	9.51	-56.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)O1	REAL300018294611	1	35	0.0	-70.91	316.58	7.67	-63.24
COC1=CC=C(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C=C2)C=C1	REAL300018294613	0	45	0.0	-79.65	382.27	9.45	-70.20
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C2CCCCC2)=N1	REAL300018294614	1	46	0.0	-76.37	370.92	8.85	-67.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)O1	REAL300018294617	1	37	0.0	-85.30	341.23	8.08	-77.22
COC1=CC=C2CCC([NH2+]CC3=CC=C(C(=O)[O-])O3)CC2=C1	REAL300018294618	0	41	0.0	-73.59	330.91	8.15	-65.44
CC1=NNC(C)=C1S(=O)(=O)N1CCC([NH2+]CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018294619	0	48	0.0	-82.03	388.60	4.06	-77.97
O=C([O-])C1=CC=C(C[NH2+]C(CCC2=CC=CC=C2)CC2=CC=CC=C2)O1	REAL300018294620	0	49	0.0	-73.65	398.66	13.01	-60.64
CCCC(CCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294621	0	45	0.0	-68.55	356.67	10.81	-57.74
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Br)C=CS2)O1	REAL300018294622	1	27	0.0	-68.58	273.75	6.95	-61.63
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)O1	REAL300018294623	1	35	0.0	-70.79	321.14	7.77	-63.02
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294624	0	42	0.0	-74.67	347.11	8.10	-66.57
COC1=CC=C(CC(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294625	0	44	0.0	-74.84	357.62	7.86	-66.98
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294626	0	43	0.0	-73.16	360.30	9.03	-64.13
COC1=CC=C(CCC(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294627	0	43	0.0	-72.75	350.54	8.74	-64.01
CC=CCOC1=CC=C(CCC(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294628	0	50	0.0	-71.37	407.01	11.11	-60.26
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294629	0	39	0.0	-70.83	337.61	9.67	-61.16
CC1CC([NH2+]CC2=CC=C(C(=O)[O-])O2)CN(CC2=CC=CC=C2)C1	REAL300018294630	0	48	0.0	-68.71	372.39	8.81	-59.90
CC1CC(NCC2=CC=C(C(=O)[O-])O2)C[N@H+](CC2=CC=CC=C2)C1	REAL300018294630	1	48	0.0	-69.45	377.87	9.49	-59.96
CC1CC(NCC2=CC=C(C(=O)[O-])O2)C[N@@H+](CC2=CC=CC=C2)C1	REAL300018294630	1	48	0.0	-70.02	366.93	8.90	-61.12
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)O1	REAL300018294631	1	36	0.0	-76.22	345.83	8.86	-67.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)O1	REAL300018294633	0	49	0.0	-75.20	401.16	10.81	-64.39
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)O1	REAL300018294634	1	40	0.0	-82.16	361.62	9.53	-72.63
COCCOCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294636	0	44	0.0	-75.26	374.62	7.27	-67.99
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294639	0	40	0.0	-75.36	336.43	8.14	-67.22
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2N2CCOCC2)O1	REAL300018294640	1	43	0.0	-65.81	364.47	7.24	-58.57
CC1CN(C2=CC=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)CCO1	REAL300018294641	0	46	0.0	-70.52	371.04	7.63	-62.89
CC(C)C1=CC=C(C2(O)CCC([NH2+]CC3=CC=C(C(=O)[O-])O3)CC2)C=C1	REAL300018294642	0	53	0.0	-71.31	405.26	9.10	-62.21
CS(=O)(=O)CC1CCC([NH2+]CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018294643	0	42	0.0	-77.82	341.85	4.97	-72.85
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)N2C(C3CC3)=CSC2=N1	REAL300018294644	1	40	0.0	-76.64	345.12	9.35	-67.29
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294645	0	43	0.0	-68.88	352.43	11.15	-57.73
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294646	1	40	0.0	-78.03	348.97	9.19	-68.84
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1C(F)(F)F	REAL300018294647	0	36	0.0	-79.18	318.50	8.83	-70.35
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)N=C2)O1	REAL300018294648	1	40	0.0	-81.27	357.09	7.70	-73.57
COC1=CC=C(C2=CC(C[NH2+]CC3=CC=C(C(=O)[O-])O3)=CC3=C2OCO3)C=N1	REAL300018294649	0	46	0.0	-86.34	398.00	6.34	-80.00
CCCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294650	1	43	0.0	-68.09	357.07	9.19	-58.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(Br)=C2)O1	REAL300018294651	0	30	0.0	-75.72	285.37	7.93	-67.79
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294652	0	41	0.0	-78.66	344.68	7.43	-71.23
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)O1	REAL300018294653	1	37	0.0	-75.12	330.73	9.27	-65.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CS2)O1	REAL300018294654	0	27	0.0	-73.20	275.77	7.04	-66.16
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294656	1	39	0.0	-73.61	334.97	6.32	-67.29
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)O1	REAL300018294657	1	33	0.0	-70.45	314.67	8.79	-61.66
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)O1	REAL300018294658	1	33	0.0	-82.40	308.40	8.36	-74.04
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2Cl)O1	REAL300018294659	1	30	0.0	-71.01	293.50	8.27	-62.74
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)O1	REAL300018294660	1	33	0.0	-73.86	299.02	8.46	-65.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)O1	REAL300018294661	1	33	0.0	-81.21	309.22	8.37	-72.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)O1	REAL300018294663	1	36	0.0	-82.60	341.54	9.29	-73.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)O1	REAL300018294664	0	39	0.0	-75.08	335.74	9.20	-65.88
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294665	1	45	0.0	-73.23	358.07	7.86	-65.37
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)O1	REAL300018294666	1	33	0.0	-80.23	324.10	8.91	-71.32
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(Br)=C1	REAL300018294667	1	33	0.0	-69.76	301.78	8.53	-61.23
COC1=CC=C2OC(C[NH2+]CC3=CC=C(C(=O)[O-])O3)=CC2=C1	REAL300018294669	1	37	0.0	-77.12	321.43	7.12	-70.00
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1Br	REAL300018294670	0	33	0.0	-73.74	303.58	8.50	-65.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)O1	REAL300018294672	1	34	0.0	-81.50	309.56	6.96	-74.54
CC1=NN2C(=NC(C)=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)S1	REAL300018294673	1	35	0.0	-76.71	318.42	6.49	-70.22
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)O1	REAL300018294674	0	44	0.0	-75.92	381.76	10.66	-65.26
CC(C[NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=CC(Br)=C1	REAL300018294676	0	36	0.0	-74.43	321.39	9.24	-65.19
COC1=CC(Cl)=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1Cl	REAL300018294677	1	34	0.0	-73.28	322.27	7.60	-65.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)O1	REAL300018294678	1	39	0.0	-78.41	339.03	9.00	-69.41
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294679	1	52	0.0	-76.68	415.63	11.41	-65.27
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294680	1	49	0.0	-79.61	402.33	11.63	-67.98
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCO3)S2)O1	REAL300018294682	1	37	0.0	-77.36	328.13	5.55	-71.81
COC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)S1	REAL300018294683	1	31	0.0	-76.07	307.31	6.50	-69.57
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=CC(Br)=C2)O1	REAL300018294684	1	29	0.0	-78.57	280.25	6.13	-72.44
O=C([O-])C1=CC=C(C[NH2+]CCCCC2=CC=CC(C(F)(F)F)=C2)O1	REAL300018294685	0	42	0.0	-73.17	367.65	10.68	-62.49
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294686	1	43	0.0	-74.89	361.53	8.34	-66.55
O=C([O-])C1=CC=C(C[NH2+]CCCC2=CC=C3OCCC3=C2)O1	REAL300018294688	0	41	0.0	-76.37	342.98	8.72	-67.65
COC1=C(Br)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294689	1	34	0.0	-75.01	313.37	7.42	-67.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)O1	REAL300018294690	1	40	0.0	-77.36	354.74	9.05	-68.31
O=C([O-])C1=CC=C(C[NH2+]CCCC2=C(F)C=CC=C2Cl)O1	REAL300018294691	0	36	0.0	-70.14	326.45	9.33	-60.81
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294693	0	36	0.0	-77.71	317.66	8.93	-68.78
CC(CC1=CC=C(Br)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294695	0	36	0.0	-68.39	320.18	9.29	-59.10
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C(Cl)S2)O1	REAL300018294696	1	27	0.0	-76.66	291.81	7.62	-69.04
COCCN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=N1	REAL300018294697	1	44	0.0	-75.14	363.90	7.34	-67.80
CC(C)N(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=N1	REAL300018294698	1	43	0.0	-74.28	350.81	8.58	-65.70
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)O1	REAL300018294699	0	41	0.0	-75.09	347.11	9.12	-65.97
COC1=CC=C(CCC(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1O	REAL300018294700	0	44	0.0	-73.53	361.30	6.58	-66.95
O=C([O-])C1=CC=C(CNC2CC[NH+](CC3=CC=CC=C3)CC2)O1	REAL300018294701	0	45	0.0	-76.03	357.09	8.93	-67.10
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CC3=CC=CC=C3)CC2)O1	REAL300018294701	1	45	0.0	-67.34	355.36	7.72	-59.62
O=C([O-])C1=CC=C(C[NH2+]C2CCCCC2C2CCCCC2)O1	REAL300018294702	0	49	0.0	-66.24	353.52	10.23	-56.01
O=C([O-])C1=CC=C(C[NH2+]C2CCCN(CC3=CC=CC=C3)C2)O1	REAL300018294703	0	45	0.0	-68.87	356.18	7.88	-60.99
O=C([O-])C1=CC=C(C[NH2+]C2CCN(C3=CC=CC=C3)CC2)O1	REAL300018294704	0	42	0.0	-70.44	331.46	7.63	-62.81
CC1(C2=CC=CC=C2)CCC([NH2+]CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018294705	0	46	0.0	-70.00	349.16	10.27	-59.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)O1	REAL300018294706	0	30	0.0	-80.19	300.21	8.38	-71.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)O1	REAL300018294707	0	35	0.0	-73.20	322.43	8.36	-64.84
CCC1=NOC(C2CCC([NH2+]CC3=CC=C(C(=O)[O-])O3)CC2)=N1	REAL300018294709	0	44	0.0	-72.78	346.77	6.10	-66.68
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294710	1	40	0.0	-71.28	358.82	10.25	-61.03
O=C([O-])C1=CC=C(CNC2CC[NH+](CCC3=CC=C(F)C=C3)CC2)O1	REAL300018294712	0	48	0.0	-80.48	386.06	9.86	-70.62
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CCC3=CC=C(F)C=C3)CC2)O1	REAL300018294712	1	48	0.0	-70.54	383.91	8.67	-61.87
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CC(F)(F)F)CC2)O1	REAL300018294713	0	38	0.0	-72.46	314.92	5.51	-66.95
O=C([O-])C1=CC=C(C[NH2+]C2CCN(C3=CC=CC=N3)CC2)O1	REAL300018294714	0	41	0.0	-72.03	329.16	7.06	-64.97
O=C([O-])C1=CC=C(CNC2CC[NH+](C3CCCCC3)CC2)O1	REAL300018294715	0	48	0.0	-69.39	356.58	8.40	-60.99
COC1=CC=C(N2CCC([NH2+]CC3=CC=C(C(=O)[O-])O3)CC2)C=C1	REAL300018294716	0	46	0.0	-73.79	360.99	6.92	-66.87
CC1CCCC([NH+]2CCC(NCC3=CC=C(C(=O)[O-])O3)CC2)C1	REAL300018294717	0	51	0.0	-71.16	370.35	8.78	-62.38
O=C([O-])C1=CC=C(C[NH2+]C2CCN(C3=CC=C([N+](=O)[O-])C=C3)CC2)O1	REAL300018294718	0	44	0.0	-81.26	359.66	8.30	-72.96
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CCC(F)(F)F)CC2)O1	REAL300018294719	0	41	0.0	-70.96	336.81	6.11	-64.85
O=C([O-])C1=CC=C(CNC2CC[NH+](CCC(F)(F)F)CC2)O1	REAL300018294719	1	41	0.0	-78.69	337.39	7.12	-71.57
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CC3=CC=CC=C3Br)CC2)O1	REAL300018294720	0	45	0.0	-67.87	375.40	8.55	-59.32
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294721	1	44	0.0	-71.46	366.35	10.10	-61.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(SC(F)F)C=C2)O1	REAL300018294722	0	34	0.0	-76.06	313.90	8.58	-67.48
COC1=CC=CC2=C1CCC([NH2+]CC1=CC=C(C(=O)[O-])O1)C2	REAL300018294723	0	41	0.0	-72.50	329.54	8.22	-64.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)O1	REAL300018294726	0	41	0.0	-78.07	359.19	10.24	-67.83
O=C([O-])C1=CC=C(C[NH2+]C2CC(C3=CC=C(Br)C=C3)C2)O1	REAL300018294727	0	37	0.0	-74.19	329.17	9.73	-64.46
CC(C)(C)C1=CC=C(CC[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294728	0	45	0.0	-71.25	361.79	10.42	-60.83
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294729	1	37	0.0	-71.15	331.52	8.26	-62.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)O1	REAL300018294731	1	33	0.0	-77.20	311.88	6.42	-70.78
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3)CCOC2)O1	REAL300018294733	0	41	0.0	-71.29	326.60	7.89	-63.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCCCCl)C=C2)O1	REAL300018294734	0	40	0.0	-76.66	354.08	8.96	-67.70
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C=C2)C=N1	REAL300018294735	0	40	0.0	-78.25	344.20	8.62	-69.63
CN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C(F)(F)F)=C1	REAL300018294736	0	41	0.0	-69.74	345.10	8.80	-60.94
CC(NCC1=CC=C(C(=O)[O-])O1)C1CC[N@H+](CC2=CC=CC=C2)C1	REAL300018294737	0	48	0.0	-74.72	380.19	9.53	-65.19
CC(NCC1=CC=C(C(=O)[O-])O1)C1CC[N@@H+](CC2=CC=CC=C2)C1	REAL300018294737	1	48	0.0	-77.20	378.50	9.50	-67.70
CC([NH2+]CC1=CC=C(C(=O)[O-])O1)C1CCS(=O)(=O)CC1	REAL300018294738	0	39	0.0	-83.38	316.16	4.08	-79.30
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)O1	REAL300018294739	1	37	0.0	-76.96	326.69	8.29	-68.67
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294740	1	40	0.0	-73.22	339.39	9.14	-64.08
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294741	1	41	0.0	-75.70	349.67	7.69	-68.01
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=N1	REAL300018294742	1	44	0.0	-81.18	372.45	9.74	-71.44
O=C([O-])C1=CC=C(C[NH2+]CC2CCC(C3=CC=CC=C3)CC2)O1	REAL300018294743	0	46	0.0	-73.25	355.32	10.88	-62.37
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)CC2=CC=CC=C2)O1	REAL300018294744	0	49	0.0	-72.64	398.13	12.97	-59.67
CC(CC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294745	0	39	0.0	-70.41	337.94	9.69	-60.72
CC1=CC=CN=C1C1CCCC([NH2+]CC2=CC=C(C(=O)[O-])O2)C1	REAL300018294746	0	45	0.0	-69.00	348.73	9.23	-59.77
O=C([O-])C1=CC=C(C[NH2+]C2CCC(C3=CC=C(C(F)(F)F)C=C3)C2)O1	REAL300018294747	0	43	0.0	-74.20	361.11	10.64	-63.56
CN1C=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)S2)C=N1	REAL300018294749	0	37	0.0	-75.80	338.03	8.00	-67.80
CC1=NN(C2=CC=CC=N2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294750	1	42	0.0	-77.38	356.61	9.20	-68.18
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C2=CC=NN2C)=C1	REAL300018294751	0	43	0.0	-75.53	359.70	8.87	-66.66
CC(C[NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018294752	0	39	0.0	-76.35	338.82	9.63	-66.72
CC1=NN(C)C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C=C12	REAL300018294755	0	38	0.0	-86.04	330.35	7.04	-79.00
O=C([O-])C1=CC=C(C[NH2+]CCCCCOC2=CC=CC=C2)O1	REAL300018294756	0	43	0.0	-73.71	358.55	9.25	-64.46
CC(CC1=CC=CC=C1)[NH+]1CCC(NCC2=CC=C(C(=O)[O-])O2)CC1	REAL300018294757	0	51	0.0	-74.34	392.75	10.11	-64.23
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)O1	REAL300018294758	0	34	0.0	-79.61	323.75	7.56	-72.05
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)O1	REAL300018294759	0	44	0.0	-75.47	385.48	10.83	-64.64
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)O1	REAL300018294760	1	43	0.0	-81.31	387.06	9.98	-71.33
COCC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294761	0	44	0.0	-76.17	365.67	7.52	-68.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)O1	REAL300018294762	1	44	0.0	-74.23	384.12	10.90	-63.33
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)O1	REAL300018294763	1	43	0.0	-80.96	363.19	9.62	-71.34
NS(=O)(=O)C1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1Cl	REAL300018294764	1	35	0.0	-88.61	331.38	2.81	-85.80
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294765	1	44	0.0	-71.37	366.32	10.09	-61.28
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1	REAL300018294766	1	45	0.0	-73.09	389.69	10.63	-62.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)O1	REAL300018294767	0	42	0.0	-76.14	349.42	6.96	-69.18
O=C([O-])C1=CC=C(C[NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)O1	REAL300018294768	1	44	0.0	-77.28	383.10	10.44	-66.84
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=C(Br)S2)O1	REAL300018294769	0	34	0.0	-75.86	329.48	7.17	-68.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)O1	REAL300018294770	1	36	0.0	-78.65	333.62	8.57	-70.08
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294772	1	47	0.0	-70.51	389.68	10.82	-59.69
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)O1	REAL300018294773	1	41	0.0	-69.59	362.48	9.70	-59.89
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC(OC)=C1OCC(F)F	REAL300018294774	1	45	0.0	-85.84	390.85	7.68	-78.16
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)O1	REAL300018294775	1	41	0.0	-71.54	375.40	10.86	-60.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2N2CCOCC2)O1	REAL300018294776	1	43	0.0	-75.00	369.96	7.50	-67.50
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(OCC2=CC=CN=C2)=C1	REAL300018294777	1	47	0.0	-76.68	398.29	8.17	-68.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)O1	REAL300018294778	0	35	0.0	-84.67	320.97	8.30	-76.37
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=NC=C1Br	REAL300018294779	1	32	0.0	-71.98	298.89	6.67	-65.31
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)O1	REAL300018294780	0	50	0.0	-69.63	407.31	11.27	-58.36
O=C([O-])C1=CC=C(C[NH2+]C(CCC2=CC=CC=C2)CCC2=CC=CC=C2)O1	REAL300018294781	0	52	0.0	-73.97	416.58	13.83	-60.14
CC1=CC(Br)=CN2C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)=CN=C12	REAL300018294783	1	36	0.0	-79.10	333.65	8.95	-70.15
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCC3)S2)O1	REAL300018294784	1	39	0.0	-73.35	335.99	7.95	-65.40
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)O1	REAL300018294785	1	36	0.0	-76.80	337.27	8.56	-68.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3CCCCC3)S2)O1	REAL300018294786	1	42	0.0	-73.34	354.68	8.53	-64.81
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)O1	REAL300018294787	1	33	0.0	-75.13	320.98	7.41	-67.72
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)O1	REAL300018294788	1	36	0.0	-75.22	345.84	8.86	-66.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)O1	REAL300018294789	1	33	0.0	-75.25	320.24	7.28	-67.97
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)S2)C=C1C	REAL300018294790	1	42	0.0	-75.44	367.48	9.54	-65.90
CC1=CC=C(C2=NC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)S2)O1	REAL300018294791	1	36	0.0	-77.06	333.79	7.24	-69.82
CC1=CC(Br)=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294793	0	33	0.0	-75.00	300.21	8.56	-66.44
O=C([O-])C1=CC=C(C[NH2+]C2CCCC2CC2=CC=CC=C2[N+](=O)[O-])O1	REAL300018294794	0	45	0.0	-72.91	363.66	10.90	-62.01
O=C([O-])C1=CC=C(C[NH2+]C2CCCC2CC2=CC=C(Cl)C=C2)O1	REAL300018294795	0	43	0.0	-71.83	355.98	11.29	-60.54
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)O1	REAL300018294796	1	42	0.0	-75.44	373.67	9.83	-65.61
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Br)=C2)O1	REAL300018294797	0	34	0.0	-81.02	330.50	7.77	-73.25
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)O1	REAL300018294798	1	33	0.0	-79.38	306.30	6.48	-72.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)O1	REAL300018294799	0	37	0.0	-81.43	327.02	7.26	-74.17
O=C([O-])C1=CC=C(C[NH2+]CCCC2=C(Cl)C=CC=C2Cl)O1	REAL300018294801	0	36	0.0	-69.94	335.19	9.73	-60.21
COCCOC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294802	1	41	0.0	-67.90	347.67	6.87	-61.03
O=C([O-])C1=CC=C(C[NH2+]C2CCN(C3=NC=CS3)CC2)O1	REAL300018294804	0	38	0.0	-76.36	319.90	5.76	-70.60
CC1=CC(OCCCC(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1Cl	REAL300018294805	0	46	0.0	-71.58	386.46	10.14	-61.44
O=C([O-])C1=CC=C(C[NH2+]C(CC2=CC=CC=C2F)CC2=CC=CC=C2F)O1	REAL300018294806	0	46	0.0	-58.28	367.12	11.86	-46.42
CC1=C(Br)C=NC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294807	1	32	0.0	-77.33	292.54	6.67	-70.66
O=C([O-])C1=CC=C(CNC2CC[NH+](CC3CCCO3)CC2)O1	REAL300018294808	0	46	0.0	-70.98	354.27	6.32	-64.66
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CC3CCCO3)CC2)O1	REAL300018294808	1	46	0.0	-69.71	352.78	5.14	-64.57
CC1=CSC(N2CCC([NH2+]CC3=CC=C(C(=O)[O-])O3)CC2)=N1	REAL300018294809	0	41	0.0	-76.55	341.70	6.36	-70.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CNN=C2C2=C(F)C=CC=C2F)O1	REAL300018294812	0	37	0.0	-74.59	332.12	7.23	-67.36
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C2=CC=C(F)C=C2)=N1	REAL300018294814	0	40	0.0	-76.76	349.90	8.56	-68.20
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294815	1	40	0.0	-84.00	347.71	9.22	-74.78
CN1C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C2=CC=CS2)=N1	REAL300018294816	0	37	0.0	-73.49	330.72	7.75	-65.74
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)O1	REAL300018294817	1	44	0.0	-69.09	374.01	10.08	-59.01
O=C([O-])C1=CC=C(C[NH2+]C2CCN(C3=CC=C([N+](=O)[O-])N=C3)CC2)O1	REAL300018294819	0	43	0.0	-85.68	355.58	7.49	-78.19
O=C([O-])C1=CC=C(C[NH2+]CC2=C(Cl)C=CC=C2N2CCCC2)O1	REAL300018294820	1	42	0.0	-62.66	354.50	8.77	-53.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)O1	REAL300018294822	1	45	0.0	-69.28	387.88	8.57	-60.71
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294823	1	43	0.0	-79.28	364.72	9.74	-69.54
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294824	1	40	0.0	-80.38	364.61	9.69	-70.69
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294825	1	49	0.0	-76.35	387.92	10.90	-65.45
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)O1	REAL300018294826	0	40	0.0	-73.62	348.10	7.74	-65.88
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294827	1	44	0.0	-71.52	393.80	11.41	-60.11
CC1=CC=C(N2C=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C(C(C)(C)C)=N2)C=C1	REAL300018294828	1	52	0.0	-76.04	410.49	11.58	-64.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C(Br)=C2)O1	REAL300018294829	0	45	0.0	-75.01	381.61	9.77	-65.24
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C(Cl)=C2)O1	REAL300018294830	0	50	0.0	-78.19	420.14	6.72	-71.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)O1	REAL300018294831	1	41	0.0	-73.42	374.54	10.77	-62.65
CC(CCC1=CC=C(Cl)S1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294832	0	36	0.0	-71.01	328.31	9.16	-61.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CN=C(C3=CC=CN=C3)S2)O1	REAL300018294833	1	35	0.0	-77.00	324.10	6.55	-70.45
CC(CC1=CC=CC=C1C(F)(F)F)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294834	0	39	0.0	-63.56	327.25	9.31	-54.25
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1	REAL300018294836	0	53	0.0	-80.40	432.79	9.78	-70.62
CCC(CC1=CC=C(Cl)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294837	0	39	0.0	-68.61	326.94	9.67	-58.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)O1	REAL300018294838	1	40	0.0	-75.44	371.09	9.05	-66.39
COC1=CC=C(C(C)C(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294839	0	43	0.0	-68.25	344.12	8.21	-60.04
O=C([O-])C1=CC=C(C[NH2+]C2CCCC(C3=CC=CN=C3)C2)O1	REAL300018294840	0	42	0.0	-72.35	335.22	8.35	-64.00
CC(CCC1=CN=CC2=CC=CC=C21)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294841	0	44	0.0	-76.23	358.94	9.80	-66.43
COC1=CC=C(CC(C)C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1F	REAL300018294842	0	43	0.0	-80.08	356.52	8.74	-71.34
CC1=CC=C2NC3=C(CC([NH2+]CC4=CC=C(C(=O)[O-])O4)CC3)C2=C1	REAL300018294843	0	44	0.0	-74.24	354.39	9.48	-64.76
COC1=CC=C2NC3=C(CC([NH2+]CC4=CC=C(C(=O)[O-])O4)CC3)C2=C1	REAL300018294845	0	45	0.0	-76.14	362.56	8.11	-68.03
CC(C[NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300018294846	0	42	0.0	-83.49	360.78	6.15	-77.34
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294847	1	44	0.0	-68.70	387.49	11.36	-57.34
COCC1=C(C)C=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1C	REAL300018294848	0	46	0.0	-71.86	366.45	8.49	-63.37
CC([NH2+]CC1=CC=C(C(=O)[O-])O1)C(C)C1=CC=C(Cl)C=C1	REAL300018294854	0	39	0.0	-68.60	331.37	9.44	-59.16
CC(C)CC1=CC=C(C(C)C(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294855	0	51	0.0	-67.95	395.82	11.67	-56.28
COC1=CC=C(C(C)C(C)[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294856	0	47	0.0	-74.85	373.33	8.17	-66.68
CC(=CC1=CC=CC([N+](=O)[O-])=C1)C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294857	0	39	0.0	-80.89	339.30	9.75	-71.14
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294858	0	41	0.0	-75.52	350.72	8.71	-66.81
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294859	0	40	0.0	-74.26	345.81	9.94	-64.32
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294860	0	44	0.0	-75.53	362.59	8.91	-66.62
CC(CC1=CC=C2CCCCC2=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294861	0	46	0.0	-64.56	361.60	11.16	-53.40
CN1N=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294862	1	30	0.0	-83.21	286.42	5.38	-77.83
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)O1	REAL300018294863	0	36	0.0	-74.43	325.06	9.10	-65.33
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3CC3)N=C3SC=CN32)O1	REAL300018294864	1	37	0.0	-80.41	332.77	9.15	-71.26
O=C([O-])C1=CC=C(C[NH2+]CC2CCN(C3=CC=CC=C3)C2)O1	REAL300018294865	0	42	0.0	-75.07	337.51	7.62	-67.45
CN1N=C(C(F)(F)F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294866	1	33	0.0	-86.12	306.07	5.87	-80.25
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)S1	REAL300018294868	1	41	0.0	-76.48	360.42	7.78	-68.70
CCOP(=O)(CCC[NH2+]CC1=CC=C(C(=O)[O-])O1)OCC	REAL300018294869	0	43	0.0	-72.70	368.40	7.15	-65.55
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C3OCCCCOC3=C2)O1	REAL300018294870	0	42	0.0	-78.28	343.16	8.20	-70.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2CC(F)(F)F)O1	REAL300018294871	0	36	0.0	-71.13	313.36	8.89	-62.24
COC1=CC(OC)=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1F	REAL300018294872	1	38	0.0	-74.04	327.90	6.05	-67.99
CC(C)OC(C[NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=CC=C1	REAL300018294873	0	43	0.0	-67.67	358.67	9.05	-58.62
CCCCCCCCCC(C)CC[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294874	0	56	0.0	-68.69	433.46	12.45	-56.24
CCN(CC)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294876	0	44	0.0	-70.35	359.21	9.62	-60.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Br)C=C2)O1	REAL300018294877	0	30	0.0	-76.31	285.37	7.94	-68.37
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC(OC)=C1OC	REAL300018294878	1	42	0.0	-82.62	355.98	6.43	-76.19
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2Cl)O1	REAL300018294879	1	30	0.0	-69.78	292.62	8.30	-61.48
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCOCC3)C=C2)O1	REAL300018294880	0	43	0.0	-74.30	348.08	6.15	-68.15
CCO[P@](C)(=O)CCC(C)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294881	0	42	0.0	-69.78	354.68	6.71	-63.07
CCO[P@@](C)(=O)CCC(C)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294881	1	42	0.0	-69.95	354.68	6.71	-63.24
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C)=C1Br	REAL300018294882	0	36	0.0	-74.63	315.21	9.02	-65.61
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=C(OCC3=CC=CC=C3)C=C2)O1	REAL300018294884	0	48	0.0	-76.32	406.34	11.89	-64.43
CC(CC1=CC=C(Cl)C(C(F)(F)F)=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294885	0	39	0.0	-77.18	350.75	10.07	-67.11
CC1=CC(Br)=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1OC(F)F	REAL300018294886	1	37	0.0	-71.41	340.43	8.28	-63.13
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Br)C=C2)O1	REAL300018294888	0	40	0.0	-74.04	360.68	11.36	-62.68
O=C([O-])C1=CC=C(C[NH2+]C2CC(C3=CC(F)=CC(F)=C3)C2)O1	REAL300018294889	0	37	0.0	-76.02	319.71	9.25	-66.77
CC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C2=CN(C)N=C2)=C1	REAL300018294891	0	43	0.0	-65.86	361.85	9.16	-56.70
O=C([O-])C1=CC=C(C[NH2+]C2CC(C3=CC=C(Br)C=C3F)C2)O1	REAL300018294892	0	37	0.0	-74.26	334.18	9.75	-64.51
O=C([O-])C1=CC=C(C[NH2+]C2CCC(C3=CC=CC(C(F)(F)F)=C3)CC2)O1	REAL300018294893	0	46	0.0	-71.90	372.84	11.39	-60.51
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OCC(F)(F)F)O1	REAL300018294894	1	37	0.0	-73.70	342.27	8.27	-65.43
O=C([O-])C1=CC=C(C[NH2+]C2CCC(OC3CCCC3)CC2)O1	REAL300018294895	0	47	0.0	-69.27	362.70	8.75	-60.52
CN1N=CC(C(F)(F)F)=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294896	1	33	0.0	-74.30	301.73	5.91	-68.39
CN1CCC([NH2+]CC2=CC=C(C(=O)[O-])O2)CC1C1=CC=C(Br)C=C1	REAL300018294897	0	45	0.0	-71.20	375.95	8.70	-62.50
CC([NH2+]CC1=CC=C(C(=O)[O-])O1)[C@@H]1C[C@H]1C1=CC=C(Cl)S1	REAL300018294898	0	37	0.0	-72.40	338.09	9.64	-62.76
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(Cl)C=C2N2C=NC=N2)O1	REAL300018294899	0	36	0.0	-71.43	325.16	10.93	-60.50
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1Cl	REAL300018294900	1	35	0.0	-88.02	331.38	2.82	-85.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CSC=C2C(F)(F)F)O1	REAL300018294901	1	30	0.0	-70.87	284.01	7.28	-63.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)O1	REAL300018294902	0	40	0.0	-76.62	357.09	11.28	-65.34
O=C([O-])C1=CC=C(CNC2CC[N@H+](C3CC3)C(C3=CC=CC=C3)C2)O1	REAL300018294903	0	49	0.0	-69.15	373.20	9.36	-59.79
O=C([O-])C1=CC=C(CNC2CC[N@@H+](C3CC3)C(C3=CC=CC=C3)C2)O1	REAL300018294903	1	49	0.0	-71.45	375.48	10.38	-61.07
O=C([O-])C1=CC=C(C[NH2+]C2CCN(C3CC3)C(C3=CC=CC=C3)C2)O1	REAL300018294903	1	49	0.0	-70.90	375.56	9.60	-61.30
CC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)SC2=C(Cl)C=CC=C12	REAL300018294904	0	36	0.0	-72.68	334.73	9.84	-62.84
CCO[C@@H]1CC([NH2+]CC2=CC=C(C(=O)[O-])O2)[C@H]1SC1=CC=CC=C1	REAL300018294906	0	45	0.0	-68.78	379.52	9.97	-58.81
CC(C)(C)OC1CC([NH2+]CC2=CC=C(C(=O)[O-])O2)C12CCC2	REAL300018294907	0	47	0.0	-69.11	366.62	8.85	-60.26
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C(F)(F)F)SC=C2)O1	REAL300018294908	1	30	0.0	-66.80	285.49	7.45	-59.35
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=NN2C2CCOCC2)O1	REAL300018294909	1	41	0.0	-82.68	339.74	5.95	-76.73
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294910	1	43	0.0	-79.29	364.02	9.79	-69.50
O=C([O-])C1=CC=C(CNC2CC[C@@H]3C[N@H+](CC4=CC=CC=C4)C[C@H]23)O1	REAL300018294911	0	49	0.0	-70.27	384.65	9.96	-60.31
O=C([O-])C1=CC=C(CNC2CC[C@@H]3C[N@@H+](CC4=CC=CC=C4)C[C@H]23)O1	REAL300018294911	1	49	0.0	-71.47	381.19	9.88	-61.59
O=C([O-])C1=CC=C(C[NH2+]C2CCCC(C3=CC=CC=C3)CC2)O1	REAL300018294912	0	46	0.0	-69.48	353.32	10.61	-58.87
O=C([O-])C1=CC=C(C[NH2+]C2CCCCCCCCCCC2)O1	REAL300018294913	0	51	0.0	-67.86	367.67	10.73	-57.13
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294914	0	51	0.0	-71.67	414.14	12.44	-59.23
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OC3=CC=CC=C3)=C2)O1	REAL300018294915	0	41	0.0	-77.74	352.77	10.15	-67.59
O=C([O-])C1=CC=C(C[NH2+]CC=CC2=CC=CC=C2[N+](=O)[O-])O1	REAL300018294916	0	36	0.0	-81.89	318.09	9.10	-72.79
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(OC)=C1OC	REAL300018294917	1	42	0.0	-77.67	356.03	6.51	-71.16
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OCC1=CC=CC=C1	REAL300018294918	0	48	0.0	-80.01	404.59	10.48	-69.53
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OCC3=CC=CC=C3)C=C2)O1	REAL300018294919	0	44	0.0	-76.24	375.35	10.59	-65.65
COC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294920	1	34	0.0	-69.67	313.51	7.29	-62.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3)C=C2)O1	REAL300018294921	0	40	0.0	-74.87	338.29	10.73	-64.14
COC1=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=CC=C2C=C1	REAL300018294922	1	40	0.0	-68.26	334.46	8.79	-59.47
COC1=CC(OC)=C(OC)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294924	1	42	0.0	-74.04	350.89	5.88	-68.16
O=C([O-])C1=CC=C(C[NH2+]CC(C2=CC=CC=C2)C2=CC=CC=C2)O1	REAL300018294925	0	43	0.0	-73.70	354.12	11.24	-62.46
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3)=C2)O1	REAL300018294926	0	44	0.0	-74.97	375.34	10.59	-64.38
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2Br)O1	REAL300018294927	1	30	0.0	-65.01	279.45	7.91	-57.10
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OCC1=CC=CC=C1	REAL300018294928	0	48	0.0	-80.28	404.59	10.48	-69.80
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CS2)O1	REAL300018294929	0	44	0.0	-75.43	386.75	11.16	-64.27
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CC=C2)O1	REAL300018294930	0	47	0.0	-76.86	399.50	11.90	-64.96
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C3=CC=CC=C3)N=C(N3CCOCC3)S2)O1	REAL300018294931	0	49	0.0	-71.52	413.43	8.03	-63.49
CCCCCCC(=CC1=CC=CC=C1)C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294933	0	52	0.0	-72.94	415.02	12.78	-60.16
CCCCCC(=CC1=CC=CC=C1)C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294934	0	49	0.0	-72.89	393.53	12.00	-60.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=C(F)C=C2)O1	REAL300018294935	0	47	0.0	-79.22	405.71	11.96	-67.26
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)F)C=C2OC(F)F)O1	REAL300018294936	1	38	0.0	-77.57	341.21	6.53	-71.04
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OCC1=CC=C(F)C=C1	REAL300018294937	0	48	0.0	-80.73	411.00	10.55	-70.18
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294938	1	40	0.0	-79.30	342.56	9.12	-70.18
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OC(F)F	REAL300018294939	0	38	0.0	-79.67	332.58	6.79	-72.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=CN=C2)O1	REAL300018294940	0	46	0.0	-75.04	394.14	10.11	-64.93
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Br)C=C3)O2)O1	REAL300018294941	1	37	0.0	-74.67	345.62	9.82	-64.85
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)(F)F)O1	REAL300018294942	1	34	0.0	-78.02	315.28	7.30	-70.72
O=C([O-])C1=CC=C(CNC2CC[N@H+](CC3=CC=CC=C3)C3(CC3)C2)O1	REAL300018294943	0	49	0.0	-69.44	380.78	9.81	-59.63
O=C([O-])C1=CC=C(CNC2CC[N@@H+](CC3=CC=CC=C3)C3(CC3)C2)O1	REAL300018294943	1	49	0.0	-68.58	379.89	9.66	-58.92
O=C([O-])C1=CC=C(C[NH2+]C2CCN(CC3=CC=CC=C3)C3(CC3)C2)O1	REAL300018294943	1	49	0.0	-70.61	380.67	8.85	-61.76
CC(C)(C)SC1=C(Br)C=CC=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294944	1	43	0.0	-74.06	366.39	10.42	-63.64
O=C([O-])C1=CC=C(C[NH2+]CC2=C(C(F)(F)F)N=C3CCCCN32)O1	REAL300018294945	1	40	0.0	-74.45	343.19	8.25	-66.20
O=C([O-])C1=CC=C(C[NH2+]C2CC(N3C=C([N+](=O)[O-])C=N3)C2)O1	REAL300018294946	0	36	0.0	-86.39	319.94	6.99	-79.40
CC(C)(C)NS(=O)(=O)C1(C[NH2+]CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018294947	0	44	0.0	-81.29	346.71	4.43	-76.86
CC(C)(C)C1(CNCC2=CC=C(C(=O)[O-])O2)CC[N@H+](CC2=CC=CC=C2)C1	REAL300018294948	0	57	0.0	-64.37	420.49	11.38	-52.99
CC(C)(C)C1(CNCC2=CC=C(C(=O)[O-])O2)CC[N@@H+](CC2=CC=CC=C2)C1	REAL300018294948	1	57	0.0	-67.00	420.37	11.38	-55.62
CN1N=C2CCSCC2=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294949	1	38	0.0	-81.13	328.49	6.98	-74.15
CC1=CC(OC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C(Cl)=C2)=CC=C1F	REAL300018294950	1	44	0.0	-77.01	393.89	11.37	-65.64
CCC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(Cl)=C1	REAL300018294951	1	47	0.0	-71.58	408.01	12.17	-59.41
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294952	1	47	0.0	-69.66	407.99	12.14	-57.52
CC1=CC=C(OC2=CC(Cl)=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(C)=C1	REAL300018294953	1	47	0.0	-74.24	409.73	12.05	-62.19
CC1=CC(OC2=CC(Cl)=CC=C2C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1F	REAL300018294954	1	44	0.0	-77.13	394.91	11.40	-65.73
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC(Br)=C1OC	REAL300018294955	1	41	0.0	-80.25	369.02	8.18	-72.07
CCOC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294956	1	41	0.0	-80.43	368.94	8.22	-72.21
C=CCOC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294957	1	42	0.0	-80.80	381.85	8.79	-72.01
CCCOC1=C(Br)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294958	1	44	0.0	-80.36	390.45	9.02	-71.34
CCCOC1=CC=C(Br)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294959	1	40	0.0	-69.25	356.86	9.03	-60.22
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OC	REAL300018294960	0	41	0.0	-78.64	344.68	7.43	-71.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CC=C2)O1	REAL300018294961	1	44	0.0	-69.16	373.99	10.67	-58.49
CCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1	REAL300018294962	0	46	0.0	-74.55	379.93	9.90	-64.65
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC([N+](=O)[O-])=C3)O2)O1	REAL300018294963	1	39	0.0	-79.23	352.52	9.87	-69.36
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3)O2)O1	REAL300018294964	1	39	0.0	-81.21	352.51	9.87	-71.34
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1Br	REAL300018294965	0	34	0.0	-78.80	314.00	7.28	-71.52
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294966	0	47	0.0	-78.48	387.68	9.01	-69.47
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294967	0	44	0.0	-78.50	366.18	8.23	-70.27
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294968	0	42	0.0	-79.06	357.58	8.01	-71.05
CCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018294969	0	53	0.0	-78.25	430.67	10.57	-67.68
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)O2)O1	REAL300018294970	1	37	0.0	-74.60	341.05	9.72	-64.88
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3Cl)O2)O1	REAL300018294971	1	37	0.0	-72.53	341.19	9.76	-62.77
CC1=CC=C(SC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C=C2[N+](=O)[O-])C=C1	REAL300018294972	1	46	0.0	-89.02	407.95	12.50	-76.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(N3CCCCC3)C([N+](=O)[O-])=C2)O1	REAL300018294973	1	47	0.0	-84.55	387.09	10.56	-73.99
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)C3=CC=CC=C23)O1	REAL300018294974	0	47	0.0	-76.16	398.10	12.94	-63.22
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1[N+](=O)[O-]	REAL300018294975	1	47	0.0	-87.54	399.59	12.26	-75.28
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C2=CC=NC=C2)O1	REAL300018294976	0	46	0.0	-79.57	394.44	10.14	-69.43
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C([N+](=O)[O-])C=C3Cl)O2)O1	REAL300018294977	1	39	0.0	-80.18	367.93	10.31	-69.87
COC1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)O2)C([N+](=O)[O-])=C1	REAL300018294978	1	43	0.0	-77.23	377.88	9.78	-67.45
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)C([N+](=O)[O-])=C2)O1	REAL300018294979	1	43	0.0	-91.09	385.24	11.53	-79.56
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CS2)O1	REAL300018294980	0	47	0.0	-75.71	412.19	11.63	-64.08
O=C([O-])C1=CC=C(C[NH2+]CC2=CN(CC3=CC=CC=C3)N=C2C2=CC=CN=C2)O1	REAL300018294981	0	49	0.0	-74.01	419.58	10.57	-63.44
O=C([O-])C1=CC=C(C[NH2+]CC2=C(OC(F)F)C=CC3=CC=CC=C32)O1	REAL300018294982	1	40	0.0	-73.23	344.20	9.05	-64.18
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OC(C)C	REAL300018294983	0	44	0.0	-78.54	362.60	8.05	-70.49
CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OCC	REAL300018294984	0	47	0.0	-78.39	388.03	9.15	-69.24
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OCC1=CC=CC=C1	REAL300018294985	0	51	0.0	-79.92	426.44	11.40	-68.52
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[NH2+]CC1=CC=C(C(=O)[O-])O1)=C2	REAL300018294986	0	46	0.0	-77.31	385.75	12.05	-65.26
CC(C)C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1[N+](=O)[O-]	REAL300018294987	1	41	0.0	-87.40	349.16	9.81	-77.59
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(Br)=C3OCOC3=C2)O1	REAL300018294988	1	33	0.0	-81.72	311.44	6.59	-75.13
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294989	1	46	0.0	-77.17	382.90	9.78	-67.39
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294990	1	46	0.0	-75.70	396.26	10.22	-65.48
CCOC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC=C1OCC(C)C	REAL300018294991	0	50	0.0	-78.01	408.14	9.83	-68.18
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(OC(F)(F)C(F)C(F)(F)F)C=C2)O1	REAL300018294992	0	40	0.0	-78.10	366.74	8.89	-69.21
COC1=CC2=CC=C(C[NH2+]CC3=CC=C(C(=O)[O-])O3)C=C2C=C1	REAL300018294996	0	40	0.0	-77.53	339.54	8.87	-68.66
CCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OCC	REAL300018294997	0	50	0.0	-78.41	409.53	9.93	-68.48
CC1=NN(C2=CC=CC=C2)C(C)=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294998	1	43	0.0	-78.78	360.39	9.40	-69.38
CC(CC1=CC=C(C2=CC=CC=C2)C=C1)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018294999	0	46	0.0	-67.33	373.09	12.07	-55.26
COC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1OC(F)F	REAL300018295000	1	38	0.0	-71.29	330.99	7.00	-64.29
CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1F	REAL300018307880	0	40	0.0	-77.23	339.05	9.80	-67.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300018307882	1	39	0.0	-72.69	348.92	10.18	-62.51
CC1(C)CC([NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC(C)(C)C1	REAL300018307883	0	52	0.0	-69.89	382.27	10.40	-59.49
O=C([O-])COC1=CC=CC(C[NH2+]C2CCC3=CC(Br)=CC=C3C2)=C1	REAL300018307884	0	44	0.0	-77.50	370.92	11.26	-66.24
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307885	0	50	0.0	-73.90	401.20	11.28	-62.62
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(Cl)=C1OC	REAL300018307886	0	45	0.0	-74.18	386.93	8.88	-65.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)=C1	REAL300018307887	0	44	0.0	-77.60	379.69	11.71	-65.89
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC3=CC=CC=C3S2)=C1	REAL300018307888	0	40	0.0	-77.04	349.72	10.64	-66.40
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018307889	0	47	0.0	-76.35	381.61	9.94	-66.41
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018307890	0	59	0.0	-76.28	471.18	13.24	-63.04
CC(C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018307891	0	58	0.0	-73.61	445.25	13.47	-60.14
CC1=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CC=C1F	REAL300018307892	0	40	0.0	-79.96	339.06	9.79	-70.17
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3NC=CC3=CC=C2)=C1	REAL300018307893	0	41	0.0	-77.18	343.69	9.10	-68.08
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)=C1	REAL300018307894	1	36	0.0	-88.61	332.38	8.90	-79.71
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2N2CCOCC2)=C1	REAL300018307895	0	50	0.0	-71.79	396.90	8.67	-63.12
CC(C)CC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018307896	0	49	0.0	-73.60	393.48	11.78	-61.82
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=C2)C=C1	REAL300018307897	0	50	0.0	-77.51	407.95	13.18	-64.33
COC1=CC=C(Br)C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018307898	1	41	0.0	-71.40	357.23	8.98	-62.42
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018307899	0	43	0.0	-90.03	367.85	9.83	-80.20
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300018307900	0	37	0.0	-79.95	345.80	10.11	-69.84
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018307901	0	50	0.0	-76.00	408.40	13.18	-62.82
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC(F)F)=C2)=C1	REAL300018307902	0	41	0.0	-79.29	351.59	8.68	-70.61
CCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1OCC	REAL300018307903	0	51	0.0	-81.11	414.79	10.13	-70.98
CC(C)C1CCC([NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)CC1	REAL300018307904	0	49	0.0	-69.16	367.11	10.22	-58.94
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)=C1	REAL300018307905	0	40	0.0	-86.28	364.23	10.51	-75.77
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(F)C=C2Br)=C1	REAL300018307906	1	37	0.0	-72.70	335.02	9.71	-62.99
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300018307907	0	40	0.0	-87.88	351.93	8.20	-79.68
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=NC3=CC=CC=C23)=C1	REAL300018307908	0	42	0.0	-83.79	348.78	9.36	-74.43
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)=C1	REAL300018307909	0	41	0.0	-78.79	358.33	8.89	-69.90
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018307910	0	43	0.0	-87.53	373.01	6.62	-80.91
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018307911	0	51	0.0	-77.14	420.55	12.16	-64.98
CC(CCOCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307912	0	50	0.0	-73.07	403.32	10.51	-62.56
O=C([O-])COC1=CC=CC(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)=C1	REAL300018307913	0	44	0.0	-75.91	371.80	11.41	-64.50
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)=C1	REAL300018307914	0	47	0.0	-78.10	403.27	13.03	-65.07
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)=C1	REAL300018307915	0	47	0.0	-79.09	403.27	13.02	-66.07
COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C2=CC=CC=C12	REAL300018307916	0	47	0.0	-78.98	381.66	10.58	-68.40
CCC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300018307917	0	40	0.0	-73.07	345.92	9.78	-63.29
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307918	1	43	0.0	-78.73	358.74	9.44	-69.29
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3OCCC3=C2)=C1	REAL300018307919	0	42	0.0	-79.19	348.22	8.94	-70.25
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CSC(Br)=C2)=C1	REAL300018307920	0	34	0.0	-76.93	323.99	8.78	-68.15
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)=C1	REAL300018307921	0	50	0.0	-70.73	417.07	10.68	-60.05
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)=C1	REAL300018307922	0	50	0.0	-70.41	417.08	10.66	-59.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)=C1	REAL300018307923	0	48	0.0	-79.89	386.25	9.00	-70.89
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018307924	0	45	0.0	-88.11	385.92	5.81	-82.30
O=C([O-])COC1=CC=CC(C[NH2+]CC2=C3C=CNC3=CC=C2)=C1	REAL300018307925	0	41	0.0	-73.27	343.51	9.11	-64.16
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C3C=CNC3=C2)=C1	REAL300018307926	0	41	0.0	-77.82	343.70	9.12	-68.70
CC(CC1=CC=CS1)[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307927	0	40	0.0	-70.48	337.76	9.54	-60.94
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300018307928	0	40	0.0	-75.76	351.90	8.19	-67.57
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307929	0	40	0.0	-78.75	333.57	9.79	-68.96
CC1(C)CCC2=CC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CC=C2O1	REAL300018307930	0	51	0.0	-76.58	402.97	10.92	-65.66
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307931	0	52	0.0	-70.46	391.62	12.04	-58.42
CN(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307932	0	45	0.0	-68.16	363.43	9.13	-59.03
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300018307933	0	46	0.0	-78.60	381.56	10.74	-67.86
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)=C1	REAL300018307934	0	46	0.0	-81.29	381.75	10.75	-70.54
CN1CCN(C2=CC=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=C2)CC1	REAL300018307935	1	54	0.0	-75.55	421.55	7.80	-67.75
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307936	0	53	0.0	-75.00	416.54	6.64	-68.36
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)=C1	REAL300018307937	0	46	0.0	-82.20	393.66	7.59	-74.61
O=C([O-])COC1=CC=CC(C[NH2+]C2CCN(C3=CN=CC=N3)CC2)=C1	REAL300018307938	0	47	0.0	-77.19	372.23	6.94	-70.25
O=C([O-])COC1=CC=CC(C[NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)=C1	REAL300018307939	0	52	0.0	-73.70	420.37	10.02	-63.68
O=C([O-])COC1=CC=CC(C[NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)=C1	REAL300018307940	0	52	0.0	-70.24	419.83	10.15	-60.09
O=C([O-])COC1=CC=CC(C[NH2+]C2CCN(CC3=CC=CC=N3)CC2)=C1	REAL300018307941	0	51	0.0	-72.43	399.03	7.63	-64.80
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)=C1	REAL300018307942	0	44	0.0	-81.68	377.58	10.37	-71.31
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307943	0	50	0.0	-81.30	426.45	11.72	-69.58
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)=C1	REAL300018307944	0	44	0.0	-81.08	387.89	10.83	-70.25
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=N1	REAL300018307945	0	46	0.0	-75.25	375.09	8.91	-66.34
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)=C1	REAL300018307947	0	44	0.0	-79.62	383.26	9.78	-69.84
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)=C1	REAL300018307949	0	41	0.0	-77.00	366.96	9.25	-67.75
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)=C1	REAL300018307950	0	44	0.0	-78.02	396.91	12.38	-65.64
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)=C1	REAL300018307951	0	47	0.0	-87.90	394.83	7.62	-80.28
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CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307958	0	46	0.0	-77.63	377.54	8.74	-68.89
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COC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1Cl	REAL300018307960	0	41	0.0	-81.39	357.86	8.94	-72.45
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COC1=NC=C(Br)C=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307965	1	40	0.0	-73.64	359.42	6.48	-67.16
COC1=NC=CC=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307966	0	40	0.0	-71.74	338.05	5.88	-65.86
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CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307978	1	49	0.0	-82.82	402.89	11.12	-71.70
CCCOC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018307979	0	47	0.0	-74.45	385.19	10.12	-64.33
C#CCCOC1=CC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C=C1	REAL300018307980	0	46	0.0	-77.61	390.97	10.64	-66.97
O=C([O-])COC1=CC=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)=C1	REAL300018307981	0	44	0.0	-76.71	378.38	11.68	-65.03
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CC1=C2C=C(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)C=NC2=NN1	REAL300018307983	0	42	0.0	-92.58	355.40	7.62	-84.96
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CCC1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300018307985	0	39	0.0	-75.82	340.52	7.81	-68.01
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CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=CN=C2)=N1	REAL300018307987	0	46	0.0	-79.80	386.39	8.48	-71.32
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC=NC=C2)=N1	REAL300018307988	0	46	0.0	-84.22	386.68	8.52	-75.70
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CN(C)C1=NC=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)S1	REAL300018307990	0	41	0.0	-75.14	354.56	8.11	-67.03
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018307991	0	47	0.0	-77.50	381.61	9.94	-67.56
CN1C=C(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018307992	0	50	0.0	-73.62	421.21	11.11	-62.51
CC1=CC=C(C2=NC(C[NH2+]CC3=CC=CC(OCC(=O)[O-])=C3)=CS2)C=C1	REAL300018307993	1	46	0.0	-75.68	398.58	10.56	-65.12
CC(C)C1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300018307994	1	42	0.0	-73.25	360.10	8.13	-65.12
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CCC1=NC(C[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=CS1	REAL300018307998	1	39	0.0	-73.30	340.38	7.57	-65.73
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1=CC=CC(OCC(=O)[O-])=C1	REAL300018307999	0	46	0.0	-74.86	375.70	11.30	-63.56
CC1=CC=CC(CCC(C)[NH2+]CC2=CC=CC(OCC(=O)[O-])=C2)=C1	REAL300018308000	0	49	0.0	-71.95	390.70	11.90	-60.05
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(N3CCCC3)[NH+]=C2)=C1OC	REAL300018325266	1	49	0.0	-61.70	391.38	7.12	-54.58
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](CC3=CC=CC=N3)CC2)=C1OC	REAL300018325280	0	52	0.0	-65.61	406.82	8.23	-57.38
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(OCC[NH+](C)C)C=C2)=C1OC	REAL300018325288	0	53	0.0	-74.21	423.19	8.76	-65.45
COC1=CC(C(=O)[O-])=CC(NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)=C1OC	REAL300018325326	0	53	0.0	-66.73	412.03	10.12	-56.61
COC1=CC(C(=O)[O-])=CC(NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)=C1OC	REAL300018325326	1	53	0.0	-66.74	411.82	10.13	-56.61
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](CC3CC3)CC2)=C1OC	REAL300018325327	0	50	0.0	-66.30	383.87	8.69	-57.61
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](CC(C)C)CC2)=C1OC	REAL300018325335	0	52	0.0	-65.57	391.15	8.57	-57.00
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](CC3=CC=NC=C3)CC2)=C1OC	REAL300018325341	0	52	0.0	-71.01	406.43	8.31	-62.70
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](C(C)(C)C)CC2)=C1OC	REAL300018325342	0	52	0.0	-62.49	381.68	7.89	-54.60
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](CCN3CCOCC3)CC2)=C1OC	REAL300018325346	0	59	0.0	-70.74	440.21	5.56	-65.18
COC1=CC(C(=O)[O-])=CC(NC2CC[NH+](C3CCCCC3C)CC2)=C1OC	REAL300018325361	0	59	0.0	-63.34	421.22	9.99	-53.35
COC1=CC(C(=O)[O-])=CC(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)=C1OC	REAL300018325493	0	56	0.0	-69.42	405.28	10.64	-58.78
COC1=CC(C(=O)[O-])=CC(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)=C1OC	REAL300018325493	1	56	0.0	-69.50	424.15	10.78	-58.72
COC1=CC(C(=O)[O-])=CC(NC2CC[N@@H+]3CCCC3C2)=C1OC	REAL300018325515	0	47	0.0	-65.28	354.15	7.74	-57.54
COC1=CC(C(=O)[O-])=CC(NC2CC[N@H+]3CCCC3C2)=C1OC	REAL300018325515	1	47	0.0	-63.41	357.63	7.62	-55.79
COC1=CC(C(=O)[O-])=CC(NC2CC[N@H+](C)C(C)C2)=C1OC	REAL300018325565	0	46	0.0	-65.17	344.21	6.60	-58.57
COC1=CC(C(=O)[O-])=CC(NC2CC[N@@H+](C)C(C)C2)=C1OC	REAL300018325565	1	46	0.0	-65.14	344.14	6.59	-58.55
COC1=CC(C(=O)[O-])=CC(NCC2=CN=C(N3CC[NH+](C)CC3)N=C2)=C1OC	REAL300018325592	1	53	0.0	-75.10	421.22	7.73	-67.37
COC1=CC(C(=O)[O-])=CC(NCC2=CC=C(CC[NH+](C)C)C=C2)=C1OC	REAL300018325647	0	52	0.0	-76.58	415.80	9.82	-66.76
COC1=CC(C(=O)[O-])=CC(NCC2=CC3=C[NH+]=CC=C3N2)=C1OC	REAL300018325700	0	41	0.0	-68.43	345.01	5.71	-62.72
COC1=CC(C(=O)[O-])=CC(NC2CCC[N@@H+](C(C)(C)C)C2)=C1OC	REAL300018325718	0	52	0.0	-62.35	381.51	7.86	-54.49
COC1=CC(C(=O)[O-])=CC(NC2CCC[N@H+](C(C)(C)C)C2)=C1OC	REAL300018325718	1	52	0.0	-64.96	377.73	8.32	-56.64
CC(NC(=O)C1=CC=C(NCC2=NC=C(C[NH+](C)C)S2)C=C1)C(=O)[O-]	REAL300018325759	1	47	0.0	-76.38	394.73	6.28	-70.10
CC(NC(=O)C1=CC=C(NCC2=NOC(C[NH+](C)C)=C2)C=C1)C(=O)[O-]	REAL300018325763	1	47	0.0	-79.08	386.22	6.58	-72.50
CC(NC(=O)C1=CC=C(NCC2=CC=C[NH+]=C2N(C)C)C=C1)C(=O)[O-]	REAL300018325765	1	47	0.0	-70.87	382.65	6.35	-64.52
CCN(C)C1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=[NH+]1	REAL300018325873	1	50	0.0	-67.50	402.12	8.22	-59.28
COCCN(C)C1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=[NH+]1	REAL300018325874	1	54	0.0	-69.34	433.66	7.37	-61.97
CC(C)N(C)C1=CC=C(CNC2=CC=C(C(=O)NC(C)C(=O)[O-])C=C2)C=[NH+]1	REAL300018325875	1	53	0.0	-67.17	418.28	8.75	-58.42
O=C([O-])COC1=CC=C(NCC2=CC=C(N3CCCC3)[NH+]=C2)C=C1	REAL300018329535	1	45	0.0	-69.26	361.05	7.97	-61.29
C[NH+]1CCN(C2=CC=C(CNC3=CC=C(OCC(=O)[O-])C=C3)C=C2)CC1	REAL300018329543	0	51	0.0	-77.34	396.75	9.02	-68.32
O=C([O-])COC1=CC=C(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C=C1	REAL300018329547	0	49	0.0	-81.41	397.87	11.45	-69.96
O=C([O-])COC1=CC=C(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C=C1	REAL300018329548	0	49	0.0	-74.51	394.37	11.42	-63.09
O=C([O-])COC1=CC=C(NC2CC[NH+](CC3=CC=CC=N3)CC2)C=C1	REAL300018329549	0	48	0.0	-76.31	376.66	9.10	-67.21
C[NH+]1CCN(C2=CC=CC(Cl)=C2CNC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018329556	0	51	0.0	-74.68	413.16	10.11	-64.57
CN(C1=CC=CC=C1CNC1=CC=C(OCC(=O)[O-])C=C1)C1CC[NH+](C)CC1	REAL300018329557	0	57	0.0	-70.73	435.58	10.68	-60.05
O=C([O-])COC1=CC=C(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1	REAL300018329559	0	53	0.0	-74.00	418.15	10.71	-63.29
C[NH+](C)CCOC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329568	0	49	0.0	-75.25	392.86	9.61	-65.64
O=C([O-])COC1=CC=C(NC2CC[NH+](CC3=C(F)C=CC=C3Cl)CC2)C=C1	REAL300018329613	1	49	0.0	-71.97	398.58	11.30	-60.67
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018329614	0	49	0.0	-75.96	381.56	11.00	-64.96
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018329614	1	49	0.0	-75.37	380.68	10.88	-64.49
O=C([O-])COC1=CC=C(NC2CC[NH+](CC3CC3)CC2)C=C1	REAL300018329616	0	46	0.0	-74.87	354.80	9.51	-65.36
CC(C)C[NH+]1CCC(NC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018329627	0	48	0.0	-74.04	361.00	9.45	-64.59
O=C([O-])COC1=CC=C(NC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1	REAL300018329636	0	48	0.0	-84.55	375.51	9.10	-75.45
CC(C)(C)[NH+]1CCC(NC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018329637	0	48	0.0	-71.20	351.16	8.75	-62.45
O=C([O-])COC1=CC=C(NC2CC[NH+](CCN3CCOCC3)CC2)C=C1	REAL300018329643	0	55	0.0	-79.69	410.64	6.47	-73.22
CC1CCCCC1[NH+]1CCC(NC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018329662	0	55	0.0	-73.21	390.91	10.85	-62.36
CC(C)(CNC1=CC=C(OCC(=O)[O-])C=C1)[NH+]1CCOCC1	REAL300018329692	0	46	0.0	-71.79	339.86	6.74	-65.05
CC1CC(NC2=CC=C(OCC(=O)[O-])C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018329773	0	52	0.0	-74.68	381.54	11.71	-62.97
CC1CC(NC2=CC=C(OCC(=O)[O-])C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018329773	1	52	0.0	-75.15	397.63	11.41	-63.74
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329803	0	49	0.0	-77.24	381.71	11.20	-66.04
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329803	1	49	0.0	-77.60	384.71	10.77	-66.83
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329872	0	54	0.0	-77.18	402.86	11.82	-65.36
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C(OCC(=O)[O-])C=C1	REAL300018329872	1	54	0.0	-77.08	405.82	11.93	-65.15
C[NH+]1CCN(C2=NC=C(CNC3=CC=C(OCC(=O)[O-])C=C3)C=N2)CC1	REAL300018329876	1	49	0.0	-77.60	390.90	8.58	-69.02
C[NH+](C)CCC1=CC=C(CNC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018329932	0	48	0.0	-76.89	385.47	10.68	-66.21
CC(CC1=CC=C(NCC2=CC=C(N3CCCC3)[NH+]=C2)C=C1)C(=O)[O-]	REAL300018336366	1	50	0.0	-68.65	389.94	9.75	-58.90
CC(CC1=CC=C(NCC2=CC=C(N3CC[NH+](C)CC3)C=C2)C=C1)C(=O)[O-]	REAL300018336378	0	56	0.0	-76.34	425.62	10.80	-65.54
CC(CC1=CC=C(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C=C1)C(=O)[O-]	REAL300018336382	0	54	0.0	-81.60	426.74	13.23	-68.37
CC(CC1=CC=C(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C=C1)C(=O)[O-]	REAL300018336383	0	54	0.0	-74.84	424.05	13.22	-61.62
CC(CC1=CC=C(NC2CC[NH+](CC3=CC=CC=N3)CC2)C=C1)C(=O)[O-]	REAL300018336384	0	53	0.0	-76.62	406.35	10.91	-65.71
CC(CC1=CC=C(NCC2=CC=CC=C2N(C)C2CC[NH+](C)CC2)C=C1)C(=O)[O-]	REAL300018336390	0	62	0.0	-69.76	459.20	12.66	-57.10
CC(CC1=CC=C(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1)C(=O)[O-]	REAL300018336392	0	58	0.0	-73.50	447.82	12.52	-60.98
CC(CC1=CC=C(NCC2=CC=C(OCC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300018336401	0	54	0.0	-74.29	421.75	11.40	-62.89
CC(CC1=CC=C(NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300018336447	0	54	0.0	-74.48	409.57	12.77	-61.71
CC(CC1=CC=C(NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C=C1)C(=O)[O-]	REAL300018336447	1	54	0.0	-74.11	409.50	12.65	-61.46
CC(CC1=CC=C(NC2CC[NH+](CC3CC3)CC2)C=C1)C(=O)[O-]	REAL300018336449	0	51	0.0	-74.64	383.68	11.29	-63.35
CC(C)C[NH+]1CCC(NC2=CC=C(CC(C)C(=O)[O-])C=C2)CC1	REAL300018336460	0	53	0.0	-73.91	389.87	11.23	-62.68
CC(CC1=CC=C(NC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1)C(=O)[O-]	REAL300018336468	0	53	0.0	-83.79	405.16	10.91	-72.88
CC(CC1=CC=C(NC2CC[NH+](C(C)(C)C)CC2)C=C1)C(=O)[O-]	REAL300018336469	0	53	0.0	-69.96	380.00	10.53	-59.43
CC(CC1=CC=C(NC2CC[NH+](CCN3CCOCC3)CC2)C=C1)C(=O)[O-]	REAL300018336475	0	60	0.0	-79.05	439.25	8.24	-70.81
CC(CC1=CC=C(NC2CC[NH+](C3CCCCC3C)CC2)C=C1)C(=O)[O-]	REAL300018336495	0	60	0.0	-73.63	420.63	12.65	-60.98
CC(CC1=CC=C(NCC(C)(C)[NH+]2CCOCC2)C=C1)C(=O)[O-]	REAL300018336533	0	51	0.0	-71.14	368.75	8.53	-62.61
CC(CC1=CC=C(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C=C1)C(=O)[O-]	REAL300018336629	0	57	0.0	-75.29	420.31	12.90	-62.39
CC(CC1=CC=C(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C=C1)C(=O)[O-]	REAL300018336629	1	57	0.0	-74.92	426.55	13.20	-61.72
CC(CC1=CC=C(NC2CC[N@@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300018336661	0	48	0.0	-71.97	356.07	10.21	-61.76
CC(CC1=CC=C(NC2CC[N@H+]3CCCC3C2)C=C1)C(=O)[O-]	REAL300018336661	1	48	0.0	-71.86	353.58	10.46	-61.40
CC(CC1=CC=C(NC2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1)C(=O)[O-]	REAL300018336665	0	54	0.0	-77.80	414.41	12.57	-65.23
CC(CC1=CC=C(NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1)C(=O)[O-]	REAL300018336665	1	54	0.0	-76.96	411.11	12.94	-64.02
CC(CC1=CC=C(NCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018336745	0	59	0.0	-77.30	432.54	13.60	-63.70
CC(CC1=CC=C(NCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018336745	1	59	0.0	-77.24	435.51	13.74	-63.50
CC(CC1=CC=C(NCC2=CN=C(N3CC[NH+](C)CC3)N=C2)C=C1)C(=O)[O-]	REAL300018336750	1	54	0.0	-76.75	419.77	10.37	-66.38
CC(CC1=CC=C(NCC2=CC=C(CC[NH+](C)C)C=C2)C=C1)C(=O)[O-]	REAL300018336816	0	53	0.0	-76.21	414.40	12.46	-63.75
CC(CC1=CC=C(NCC2=CC3=C[NH+]=CC=C3N2)C=C1)C(=O)[O-]	REAL300018336888	0	42	0.0	-72.16	344.41	8.38	-63.78
COC1=CC=CC(C[NH+]2CCC(NC3=CC=C(CC(C)C(=O)[O-])C=C3)CC2)=C1	REAL300018336898	0	58	0.0	-79.70	439.14	11.96	-67.74
CC(CC1=CC=C(NC2CCC[N@@H+](C(C)(C)C)C2)C=C1)C(=O)[O-]	REAL300018336909	0	53	0.0	-70.45	376.26	10.94	-59.51
CC(CC1=CC=C(NC2CCC[N@H+](C(C)(C)C)C2)C=C1)C(=O)[O-]	REAL300018336909	1	53	0.0	-70.59	380.05	10.51	-60.08
COCC1=CC(NC2CC(C)C[N@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018336982	0	55	0.0	-77.32	425.67	10.94	-66.38
COCC1=CC(NC2CC(C)C[N@@H+](CC3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018336982	1	55	0.0	-79.49	409.26	11.69	-67.80
COCC1=CC(NCC2=NC=C(C[NH+](C)C)S2)=CC(C(=O)[O-])=C1	REAL300018336987	1	44	0.0	-80.13	372.87	6.53	-73.60
COCC1=CC(NCC2=NOC(C[NH+](C)C)=C2)=CC(C(=O)[O-])=C1	REAL300018336991	1	44	0.0	-82.53	364.20	6.85	-75.68
COCC1=CC(NCC2=CC=C[NH+]=C2N(C)C)=CC(C(=O)[O-])=C1	REAL300018336993	1	44	0.0	-72.32	360.63	6.63	-65.69
COCC1=CC(NC2CCN(C3=CC=[NH+]C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018336997	0	48	0.0	-71.42	376.38	6.56	-64.86
COCC1=CC(NCC2=CC=C(N3CCCC3)[NH+]=C2)=CC(C(=O)[O-])=C1	REAL300018337654	1	48	0.0	-66.47	385.01	7.40	-59.07
COCC1=CC(NCC2=CC=C(N3CC[NH+](C)CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300018337666	0	54	0.0	-82.89	420.72	8.45	-74.44
COCC1=CC(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018337670	0	52	0.0	-74.40	421.64	10.89	-63.51
COCC1=CC(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)=CC(C(=O)[O-])=C1	REAL300018337671	0	52	0.0	-66.77	418.62	10.87	-55.90
COCC1=CC(NC2CC[NH+](CC3=CC=CC=N3)CC2)=CC(C(=O)[O-])=C1	REAL300018337672	0	51	0.0	-69.61	400.53	8.53	-61.08
COCC1=CC(NCC2=CC=CC=C2N(C)C2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300018337677	0	60	0.0	-68.88	459.09	10.13	-58.75
COCC1=CC(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300018337679	0	56	0.0	-78.92	440.38	10.33	-68.59
COCC1=CC(NCC2=CC=C(OCC[NH+](C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018337688	0	52	0.0	-80.21	416.83	9.05	-71.16
COCC1=CC(NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018337734	0	52	0.0	-70.97	405.08	10.33	-60.64
COCC1=CC(NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018337734	1	52	0.0	-71.46	405.80	10.45	-61.01
COCC1=CC(NC2CC[NH+](CC3CC3)CC2)=CC(C(=O)[O-])=C1	REAL300018337736	0	49	0.0	-70.86	377.50	9.00	-61.86
COCC1=CC(NC2CC[NH+](CC(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018337747	0	51	0.0	-70.05	384.79	8.88	-61.17
COCC1=CC(NC2CC[NH+](CC3=CC=NC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018337755	0	51	0.0	-79.38	399.59	8.55	-70.83
COCC1=CC(NC2CC[NH+](C(C)(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018337756	0	51	0.0	-67.24	375.24	8.20	-59.04
COCC1=CC(NC2CC[NH+](CCN3CCOCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018337762	0	58	0.0	-75.06	434.32	5.90	-69.16
COCC1=CC(NC2CC[NH+](C3CCCCC3C)CC2)=CC(C(=O)[O-])=C1	REAL300018337782	0	58	0.0	-67.95	414.85	10.30	-57.65
COCC1=CC(NCC(C)(C)[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300018337819	0	49	0.0	-69.82	363.84	6.17	-63.65
COCC1=CC(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)=CC(C(=O)[O-])=C1	REAL300018337918	0	55	0.0	-74.86	417.88	11.09	-63.77
COCC1=CC(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)=CC(C(=O)[O-])=C1	REAL300018337918	1	55	0.0	-75.28	417.85	11.09	-64.19
COCC1=CC(NC2CC[N@@H+]3CCCC3C2)=CC(C(=O)[O-])=C1	REAL300018337950	0	46	0.0	-68.12	351.21	7.86	-60.26
COCC1=CC(NC2CC[N@H+]3CCCC3C2)=CC(C(=O)[O-])=C1	REAL300018337950	1	46	0.0	-71.83	348.05	8.06	-63.77
COCC1=CC(NC2C[N@H+](CC3=CC=CC=C3)CC2C)=CC(C(=O)[O-])=C1	REAL300018337954	0	52	0.0	-74.69	405.99	10.59	-64.10
COCC1=CC(NC2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC(C(=O)[O-])=C1	REAL300018337954	1	52	0.0	-74.23	405.31	10.66	-63.57
CC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1F	REAL300018338935	0	43	0.0	-84.80	360.56	10.59	-74.21
CC1(C)CCCCC1[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338936	0	49	0.0	-76.35	359.99	10.31	-66.04
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1	REAL300018338938	0	42	0.0	-81.96	370.32	10.97	-70.99
CC(C)=CCCC(C)[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338939	0	49	0.0	-78.21	383.07	10.99	-67.22
CC1(C)CC([NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)CC(C)(C)C1	REAL300018338940	0	55	0.0	-80.15	403.77	11.18	-68.97
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338941	0	53	0.0	-84.47	422.71	12.06	-72.41
COC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C(Cl)=C1OC	REAL300018338942	0	48	0.0	-83.54	408.43	9.67	-73.87
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C1	REAL300018338943	0	47	0.0	-84.45	401.20	12.50	-71.95
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC3=CC=CC=C3S2)C=C1	REAL300018338944	0	43	0.0	-82.58	371.23	11.43	-71.15
CC(C)OC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018338945	0	50	0.0	-83.28	403.12	10.73	-72.55
CCCCCCCOC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018338946	0	62	0.0	-83.28	492.69	14.03	-69.25
CC(C[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018338947	0	61	0.0	-81.39	466.81	14.24	-67.15
CC1=CC(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1F	REAL300018338948	0	43	0.0	-86.49	360.56	10.58	-75.91
CC1CCC(C)C([NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018338949	0	49	0.0	-78.06	364.22	10.36	-67.70
O=C([O-])COC1=CC=C(CC[NH2+]CC2=C3NC=CC3=CC=C2)C=C1	REAL300018338950	0	44	0.0	-83.50	365.20	9.88	-73.62
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CSC([N+](=O)[O-])=C2)C=C1	REAL300018338951	0	39	0.0	-96.54	353.88	9.68	-86.86
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC=C2N2CCOCC2)C=C1	REAL300018338952	0	53	0.0	-80.48	418.41	9.45	-71.03
CC1CC(C)CC([NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018338953	0	49	0.0	-79.11	367.37	10.23	-68.88
CC(C)CC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018338954	0	52	0.0	-80.26	414.99	12.57	-67.69
CC1=CC=C(C2=CC=CC(C[NH2+]CCC3=CC=C(OCC(=O)[O-])C=C3)=C2)C=C1	REAL300018338955	0	53	0.0	-84.10	429.46	13.96	-70.14
CC1=CC(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)=CC(C)=C1	REAL300018338956	0	46	0.0	-80.71	376.65	11.20	-69.51
COC1=CC=C(Br)C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018338957	0	44	0.0	-76.66	378.74	9.76	-66.90
COC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1[N+](=O)[O-]	REAL300018338958	0	46	0.0	-98.85	389.37	10.62	-88.23
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=C1	REAL300018338959	0	40	0.0	-86.54	367.30	10.89	-75.65
CC1=CC=CC(C)=C1C[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338960	0	46	0.0	-79.97	366.99	10.95	-69.02
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018338961	0	53	0.0	-83.53	429.90	13.96	-69.57
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC(OC(F)F)=C2)C=C1	REAL300018338962	0	44	0.0	-86.03	373.10	9.46	-76.57
CCOC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1OCC	REAL300018338963	0	54	0.0	-87.56	436.29	10.92	-76.64
CC(C)C1CCC([NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018338964	0	52	0.0	-77.66	382.19	11.21	-66.45
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1	REAL300018338965	0	43	0.0	-91.65	385.74	11.29	-80.36
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C(F)C=C2Br)C=C1	REAL300018338966	0	40	0.0	-81.52	356.53	10.50	-71.02
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=C1	REAL300018338967	0	43	0.0	-93.28	373.44	8.98	-84.30
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=NC3=CC=CC=C23)C=C1	REAL300018338968	0	45	0.0	-89.83	370.28	10.15	-79.68
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C=C1	REAL300018338969	0	44	0.0	-86.11	379.84	9.68	-76.43
CS(=O)(=O)C1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018338970	0	46	0.0	-93.02	394.53	7.40	-85.62
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C=C1	REAL300018338971	0	54	0.0	-84.24	442.05	12.95	-71.29
CC(CCOCC1=CC=CC=C1)[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338972	0	53	0.0	-81.14	424.83	11.29	-69.85
O=C([O-])COC1=CC=C(CC[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C=C1	REAL300018338973	0	47	0.0	-85.46	393.31	12.18	-73.28
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C1	REAL300018338974	0	50	0.0	-85.00	424.77	13.82	-71.18
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1	REAL300018338975	0	50	0.0	-85.82	424.78	13.81	-72.01
CC(C)CCCC(C)[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338976	0	51	0.0	-77.51	391.46	11.05	-66.46
COC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)C2=CC=CC=C12	REAL300018338977	0	50	0.0	-85.24	403.16	11.37	-73.87
CCC1=CC=C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)S1	REAL300018338978	0	43	0.0	-79.20	367.43	10.56	-68.64
CN1C2=CC=CC=C2N=C1C[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338979	0	46	0.0	-87.08	380.25	10.22	-76.86
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C3OCCC3=C2)C=C1	REAL300018338980	0	45	0.0	-85.62	369.73	9.72	-75.90
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CSC(Br)=C2)C=C1	REAL300018338981	0	37	0.0	-84.17	345.49	9.55	-74.62
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)C=C1	REAL300018338982	0	53	0.0	-80.65	438.59	11.46	-69.19
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C=C1	REAL300018338983	0	53	0.0	-80.28	438.55	11.45	-68.83
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=C1	REAL300018338984	0	51	0.0	-85.36	407.76	9.79	-75.57
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018338985	0	48	0.0	-94.25	407.43	6.59	-87.66
O=C([O-])COC1=CC=C(CC[NH2+]CC2=C3C=CNC3=CC=C2)C=C1	REAL300018338986	0	44	0.0	-79.75	365.01	9.90	-69.85
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C3C=CNC3=C2)C=C1	REAL300018338987	0	44	0.0	-83.85	365.20	9.91	-73.94
CC1=NN(C)C(C[NH2+]CCC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018338988	0	43	0.0	-87.78	356.40	8.03	-79.75
CC(CC1=CC=CS1)[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338989	0	43	0.0	-74.28	358.97	10.34	-63.94
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C=C1	REAL300018338990	0	43	0.0	-85.04	373.40	8.97	-76.07
CC1=CC(F)=CC=C1C[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338991	0	43	0.0	-85.38	355.04	10.57	-74.81
CC1(C)CCC2=CC(C[NH2+]CCC3=CC=C(OCC(=O)[O-])C=C3)=CC=C2O1	REAL300018338992	0	54	0.0	-83.65	424.46	11.70	-71.95
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338993	0	55	0.0	-79.38	413.12	12.82	-66.56
CN(C)C1=CC=CC=C1C[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338994	0	48	0.0	-76.61	385.09	9.88	-66.73
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=C1	REAL300018338995	0	49	0.0	-85.87	403.07	11.52	-74.35
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C1	REAL300018338996	0	49	0.0	-87.89	403.26	11.54	-76.35
CN1CCN(C2=CC=C(C[NH2+]CCC3=CC=C(OCC(=O)[O-])C=C3)C=C2)CC1	REAL300018338997	1	57	0.0	-82.31	443.06	8.59	-73.72
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018338998	0	56	0.0	-82.89	438.05	7.43	-75.46
O=C([O-])COC1=CC=C(CC[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1	REAL300018338999	0	49	0.0	-88.69	415.17	8.37	-80.32
O=C([O-])COC1=CC=C(CC[NH2+]C2CCN(C3=CN=CC=N3)CC2)C=C1	REAL300018339000	0	50	0.0	-86.51	393.75	7.72	-78.79
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1F	REAL300018343635	0	36	0.0	-33.36	317.69	10.16	-23.20
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343637	0	42	0.0	-30.30	334.84	10.40	-19.90
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC(C)(C)C1	REAL300018343638	0	48	0.0	-32.39	360.52	10.72	-21.67
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343640	0	43	0.0	-30.86	360.25	10.30	-20.56
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC=C1F	REAL300018343641	0	36	0.0	-31.16	315.59	10.10	-21.06
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC=C1Br	REAL300018343642	0	37	0.0	-28.14	318.27	9.41	-18.73
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300018343644	0	42	0.0	-31.98	331.37	10.03	-21.95
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343645	0	45	0.0	-29.61	372.14	12.14	-17.47
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC(C)=C1	REAL300018343646	0	39	0.0	-28.90	331.69	10.72	-18.18
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1[N+](=O)[O-]	REAL300018343647	1	39	0.0	-36.65	344.39	10.14	-26.51
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1Br	REAL300018343648	0	33	0.0	-30.37	322.34	10.41	-19.96
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC=C1Br	REAL300018343649	0	37	0.0	-33.43	326.72	8.98	-24.45
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343651	0	45	0.0	-28.66	339.20	10.75	-17.91
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=CC=C1Br	REAL300018343652	1	31	0.0	-33.26	280.63	7.46	-25.80
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC=C1Br	REAL300018343653	0	38	0.0	-31.57	320.08	9.55	-22.02
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343654	1	39	0.0	-38.68	351.69	6.98	-31.70
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343655	0	36	0.0	-31.42	294.13	8.89	-22.53
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343656	0	46	0.0	-31.76	379.50	10.68	-21.08
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1Br	REAL300018343657	0	40	0.0	-33.52	342.42	11.46	-22.06
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=CC=C1Br	REAL300018343658	0	34	0.0	-31.00	277.99	6.33	-24.67
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343659	0	44	0.0	-30.64	346.39	10.54	-20.10
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343660	0	41	0.0	-31.55	314.77	9.68	-21.87
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=CC=C1Br	REAL300018343662	0	35	0.0	-30.92	297.92	7.28	-23.64
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC=C1Br	REAL300018343664	0	38	0.0	-31.81	323.35	9.24	-22.57
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC=C1Br	REAL300018343665	0	44	0.0	-32.96	364.89	9.36	-23.60
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC=C1Br	REAL300018343667	0	37	0.0	-29.86	317.56	9.38	-20.48
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC=C1Br	REAL300018343669	0	37	0.0	-32.50	322.34	9.47	-23.03
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343671	0	36	0.0	-28.35	310.52	9.56	-18.79
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343672	0	48	0.0	-29.13	365.61	12.28	-16.85
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1Br	REAL300018343673	0	42	0.0	-32.62	360.15	11.09	-21.53
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC=C1Br	REAL300018343674	0	42	0.0	-33.82	356.88	11.05	-22.77
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=CC=C1Br	REAL300018343676	0	43	0.0	-36.88	349.45	7.24	-29.64
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=CC=C1Br	REAL300018343679	1	43	0.0	-32.94	357.89	9.28	-23.66
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343680	0	44	0.0	-30.66	373.06	8.86	-21.80
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1Cl	REAL300018343681	0	37	0.0	-31.51	336.51	9.30	-22.21
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343682	1	36	0.0	-32.66	313.29	6.18	-26.48
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC=C1Br	REAL300018343683	0	38	0.0	-32.02	322.51	9.62	-22.40
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC=C1Br	REAL300018343685	1	39	0.0	-32.52	332.64	8.67	-23.85
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC=C1Br	REAL300018343686	1	42	0.0	-35.42	349.56	9.48	-25.94
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=CC=C1Br	REAL300018343687	0	40	0.0	-32.47	349.01	11.58	-20.89
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=CC=C1Br	REAL300018343688	0	40	0.0	-29.87	345.00	11.55	-18.32
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=CC=C1Br	REAL300018343689	1	41	0.0	-34.59	360.14	10.74	-23.85
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343690	0	43	0.0	-28.58	360.93	10.39	-18.19
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343691	0	35	0.0	-43.53	304.22	9.57	-33.96
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343692	0	42	0.0	-31.48	367.53	10.95	-20.53
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)C=NC2=NN1	REAL300018343693	0	38	0.0	-42.30	331.93	7.92	-34.38
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300018343694	1	34	0.0	-32.54	300.35	7.38	-25.16
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343698	0	43	0.0	-31.98	356.74	10.24	-21.74
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343702	0	42	0.0	-35.09	352.15	11.56	-23.53
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343703	0	45	0.0	-32.64	369.22	12.22	-20.42
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343704	0	45	0.0	-32.67	369.22	12.23	-20.44
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=CC=C1Br	REAL300018343705	0	36	0.0	-32.52	300.80	8.94	-23.58
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1Br	REAL300018343706	0	45	0.0	-54.40	358.68	10.04	-44.36
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC=C1Br	REAL300018343708	0	37	0.0	-36.83	327.01	7.86	-28.97
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343711	0	47	0.0	-57.38	366.40	9.93	-47.45
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)C1CCCC1	REAL300018343713	0	39	0.0	-31.49	302.34	9.34	-22.15
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343714	0	39	0.0	-32.84	348.14	10.23	-22.61
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343715	0	47	0.0	-55.91	357.79	9.21	-46.70
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC=C1SC	REAL300018343716	0	41	0.0	-32.75	359.89	9.79	-22.96
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343718	0	39	0.0	-31.43	316.53	9.63	-21.80
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343720	0	36	0.0	-27.50	301.67	7.13	-20.37
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343721	0	45	0.0	-33.63	362.95	12.10	-21.53
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343723	0	39	0.0	-30.16	313.33	9.40	-20.76
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1F	REAL300018343727	0	41	0.0	-31.50	351.88	9.00	-22.50
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)=CC=C2O1	REAL300018343729	0	44	0.0	-31.99	368.34	10.70	-21.29
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343732	0	36	0.0	-32.49	312.95	9.62	-22.87
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343734	0	35	0.0	-30.44	293.78	8.07	-22.37
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343735	0	42	0.0	-31.43	346.72	10.20	-21.23
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343738	0	39	0.0	-26.57	319.86	7.82	-18.75
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343739	0	46	0.0	-30.10	381.85	11.12	-18.98
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343740	0	44	0.0	-32.46	373.88	8.90	-23.56
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343741	0	42	0.0	-26.75	334.86	8.09	-18.66
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=CC=C1Br	REAL300018343742	0	34	0.0	-31.09	277.32	6.24	-24.85
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300018343743	0	45	0.0	-30.20	343.88	10.61	-19.59
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343744	0	44	0.0	-28.38	356.17	10.43	-17.95
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC=C1Br	REAL300018343745	0	40	0.0	-29.54	336.43	11.36	-18.18
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343746	0	42	0.0	-34.61	342.09	11.22	-23.39
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343747	0	42	0.0	-29.13	342.51	11.36	-17.77
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)OCO2	REAL300018343748	1	40	0.0	-32.25	343.94	7.47	-24.78
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343750	0	46	0.0	-32.54	382.65	11.18	-21.36
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC=C1Br	REAL300018343751	0	39	0.0	-30.20	329.97	11.45	-18.75
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=CC=C1Br	REAL300018343752	0	40	0.0	-33.84	324.41	8.00	-25.84
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=CC=C1Br	REAL300018343753	0	37	0.0	-34.93	311.56	9.49	-25.44
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=CC=C1Br	REAL300018343754	0	42	0.0	-30.99	322.66	10.16	-20.83
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)=C2O1	REAL300018343755	1	44	0.0	-31.58	364.76	10.62	-20.96
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC=C1Br	REAL300018343757	1	32	0.0	-26.41	294.74	8.11	-18.30
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300018343759	1	37	0.0	-33.07	323.93	8.04	-25.03
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC=C1Br	REAL300018343760	0	40	0.0	-38.87	348.05	10.65	-28.22
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC=C1Br	REAL300018343764	0	38	0.0	-34.77	330.69	9.93	-24.84
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343766	0	41	0.0	-44.75	344.59	5.27	-39.48
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343769	1	37	0.0	-31.64	326.89	8.82	-22.82
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343770	0	37	0.0	-35.92	314.63	6.98	-28.94
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300018343771	1	43	0.0	-32.81	362.60	9.41	-23.40
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(Cl)=C1	REAL300018343774	1	36	0.0	-29.16	319.39	10.45	-18.71
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC=C1Br	REAL300018343775	1	35	0.0	-37.48	331.64	10.49	-26.99
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC=C1Br	REAL300018343776	0	36	0.0	-35.76	327.96	10.73	-25.03
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343778	0	38	0.0	-38.25	343.21	8.05	-30.20
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC=C1Br	REAL300018343779	1	35	0.0	-36.79	329.74	10.56	-26.23
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CCO1	REAL300018343780	0	40	0.0	-31.75	322.79	8.03	-23.72
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CCO1	REAL300018343781	0	43	0.0	-31.54	338.67	8.63	-22.91
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC=C1Br	REAL300018343782	0	43	0.0	-30.09	352.39	11.95	-18.14
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC=C1Br	REAL300018343783	0	52	0.0	-28.89	380.84	12.63	-16.26
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343784	0	47	0.0	-30.50	358.58	10.88	-19.62
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343785	0	36	0.0	-30.00	293.14	9.24	-20.76
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343786	0	42	0.0	-33.32	348.40	11.42	-21.90
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343788	0	46	0.0	-32.93	370.09	10.59	-22.34
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)C1CCCCC1	REAL300018343789	0	45	0.0	-30.21	344.73	10.82	-19.39
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343790	0	38	0.0	-38.61	345.23	4.41	-34.20
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC=C1Br	REAL300018343792	0	40	0.0	-35.05	342.26	11.41	-23.64
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(C)=C1	REAL300018343794	0	43	0.0	-29.90	352.54	10.19	-19.71
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343795	1	40	0.0	-30.82	339.29	9.48	-21.34
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC=C1Br	REAL300018343796	0	43	0.0	-35.21	353.06	11.80	-23.41
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=CC=C1[N+](=O)[O-]	REAL300018343803	0	38	0.0	-38.34	325.70	10.44	-27.90
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC=C1Cl	REAL300018343804	0	37	0.0	-32.18	334.40	9.25	-22.93
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343809	0	34	0.0	-30.69	291.01	8.61	-22.08
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343810	1	39	0.0	-32.58	329.46	8.61	-23.97
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343812	0	39	0.0	-29.38	333.86	10.89	-18.49
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC=C1Br	REAL300018343814	0	37	0.0	-33.76	326.43	10.97	-22.79
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=CC=C1Br	REAL300018343816	0	40	0.0	-32.18	319.91	10.13	-22.05
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC=C1Br	REAL300018343818	1	36	0.0	-32.06	333.24	10.39	-21.67
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=CC=C1Br	REAL300018343819	0	40	0.0	-29.04	292.38	10.28	-18.76
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CN=C1Cl	REAL300018343822	1	33	0.0	-30.80	307.32	8.33	-22.47
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC=C1Br	REAL300018343823	1	33	0.0	-35.01	310.81	6.79	-28.22
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC=C1Br	REAL300018343825	0	37	0.0	-31.75	328.13	9.47	-22.28
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC=C1Br	REAL300018343826	0	37	0.0	-32.73	328.04	9.47	-23.26
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343828	0	36	0.0	-29.51	312.68	10.33	-19.18
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343831	0	45	0.0	-30.68	360.72	11.36	-19.32
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343832	0	42	0.0	-30.58	339.22	10.58	-20.00
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343833	0	36	0.0	-31.11	327.01	10.57	-20.54
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343834	0	40	0.0	-31.13	343.96	9.13	-22.00
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343835	0	45	0.0	-26.80	345.41	8.37	-18.43
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC=C1Br	REAL300018343836	0	38	0.0	-35.15	338.39	9.89	-25.26
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC2=CC=CN=C12	REAL300018343837	0	41	0.0	-32.57	348.70	10.59	-21.98
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300018343838	0	45	0.0	-31.94	344.36	10.52	-21.42
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1C	REAL300018343840	0	46	0.0	-30.60	383.90	11.22	-19.38
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300018343842	0	42	0.0	-31.09	325.93	9.98	-21.11
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343843	1	35	0.0	-29.54	302.95	7.65	-21.89
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1Br	REAL300018343844	0	36	0.0	-31.47	323.06	10.33	-21.14
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC=C1Br	REAL300018343846	0	40	0.0	-29.08	333.95	11.29	-17.79
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=NN1C	REAL300018343850	1	36	0.0	-30.62	309.09	7.70	-22.92
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=CC=C1Br	REAL300018343851	0	40	0.0	-27.89	289.17	10.20	-17.69
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300018343853	0	42	0.0	-30.85	328.98	9.85	-21.00
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343855	1	39	0.0	-31.84	337.27	7.85	-23.99
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343856	1	40	0.0	-30.92	346.65	9.69	-21.23
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343857	0	43	0.0	-35.56	356.47	10.03	-25.53
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1Br	REAL300018343859	0	42	0.0	-45.83	321.73	8.97	-36.86
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1Br	REAL300018343859	1	42	0.0	-48.16	327.49	9.14	-39.02
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC=C1Br	REAL300018343860	0	49	0.0	-31.76	354.89	11.24	-20.52
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)C(C)C1=CC=CC=C1	REAL300018343861	0	42	0.0	-32.75	328.07	10.83	-21.92
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC=C1Br	REAL300018343862	0	41	0.0	-37.11	341.30	10.46	-26.65
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343864	0	41	0.0	-35.30	338.16	9.69	-25.61
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343865	0	42	0.0	-28.39	348.28	11.28	-17.11
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC=C1Br	REAL300018343868	0	47	0.0	-33.26	347.72	8.88	-24.38
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1C	REAL300018343869	1	39	0.0	-30.71	325.15	7.52	-23.19
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC=C1Br	REAL300018343871	0	36	0.0	-38.41	332.58	10.70	-27.71
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343875	0	43	0.0	-29.32	341.98	8.93	-20.39
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC=C1Br	REAL300018343876	1	33	0.0	-34.06	321.58	9.60	-24.46
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(C)=C1	REAL300018343877	0	46	0.0	-28.63	376.50	11.06	-17.57
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343879	0	37	0.0	-31.35	299.68	9.29	-22.06
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC=C1Br	REAL300018343880	0	46	0.0	-31.51	345.60	10.91	-20.60
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC=C1Br	REAL300018343881	1	35	0.0	-33.38	318.29	8.48	-24.90
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC=C1Br	REAL300018343882	0	43	0.0	-30.56	339.86	11.35	-19.21
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343883	0	45	0.0	-31.91	337.94	10.17	-21.74
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC=C1Br	REAL300018343884	0	43	0.0	-35.39	340.65	11.41	-23.98
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(C(F)F)=N1	REAL300018343885	1	36	0.0	-29.18	321.21	8.12	-21.06
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)C1CCCCCC1	REAL300018343886	0	45	0.0	-28.89	332.96	10.60	-18.29
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343887	0	48	0.0	-31.20	350.43	10.62	-20.58
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC=C1Br	REAL300018343888	0	41	0.0	-29.10	335.94	9.42	-19.68
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC=C1Br	REAL300018343889	0	40	0.0	-35.58	345.25	11.62	-23.96
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343890	0	42	0.0	-33.15	349.95	11.05	-22.10
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343891	1	38	0.0	-40.57	343.92	4.40	-36.17
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC=C1Br	REAL300018343894	1	37	0.0	-31.92	316.22	8.06	-23.86
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C1	REAL300018343897	0	42	0.0	-31.41	330.95	10.16	-21.25
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343899	0	42	0.0	-32.73	320.07	9.83	-22.90
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343900	0	45	0.0	-29.26	337.32	10.30	-18.96
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343901	0	45	0.0	-32.21	328.29	10.04	-22.17
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC1	REAL300018343902	0	51	0.0	-32.68	369.90	11.34	-21.34
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@@H+]1C	REAL300018343903	0	41	0.0	-61.59	319.22	7.94	-53.65
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2Br)CC[N@H+]1C	REAL300018343903	1	41	0.0	-53.17	312.58	7.72	-45.45
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)C1CCCO1	REAL300018343905	0	37	0.0	-28.53	292.03	7.09	-21.44
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343906	0	40	0.0	-30.96	346.04	9.18	-21.78
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343908	0	39	0.0	-35.45	332.60	10.90	-24.55
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1OC	REAL300018343909	0	44	0.0	-31.42	359.81	9.15	-22.27
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC=C1Br	REAL300018343910	0	40	0.0	-28.55	328.95	11.33	-17.22
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC=C1Br	REAL300018343911	0	36	0.0	-39.98	324.29	10.32	-29.66
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC(C)=C1	REAL300018343912	0	42	0.0	-34.36	353.22	11.50	-22.86
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343913	0	39	0.0	-32.53	333.31	10.41	-22.12
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343915	0	39	0.0	-34.78	324.34	8.40	-26.38
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)=CN=C21	REAL300018343916	0	38	0.0	-35.74	335.28	8.59	-27.15
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343917	0	42	0.0	-36.64	357.60	11.60	-25.04
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343918	0	47	0.0	-31.07	363.51	8.15	-22.92
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300018343919	0	39	0.0	-36.08	336.80	8.79	-27.29
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC=C1Br	REAL300018343922	1	32	0.0	-36.17	292.24	7.61	-28.56
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=CC=C1Br	REAL300018343923	0	44	0.0	-30.57	334.75	8.98	-21.59
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)C2)CO1	REAL300018343924	0	44	0.0	-34.72	352.49	8.91	-25.81
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)C2)CO1	REAL300018343925	0	41	0.0	-33.94	332.24	8.22	-25.72
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC=C1Br	REAL300018343926	0	41	0.0	-33.59	334.38	9.66	-23.93
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC=C1Br	REAL300018343927	0	40	0.0	-35.82	333.28	10.61	-25.21
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)=C21	REAL300018343928	0	39	0.0	-32.07	325.72	10.59	-21.48
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343929	0	40	0.0	-31.11	335.30	9.36	-21.75
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343932	0	39	0.0	-28.00	320.25	10.63	-17.37
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343933	0	36	0.0	-32.67	318.80	10.19	-22.48
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(C)=C1C	REAL300018343934	0	42	0.0	-27.24	333.37	10.99	-16.25
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)=CC=C21	REAL300018343937	0	45	0.0	-30.81	362.13	9.59	-21.22
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Br)CC2	REAL300018343938	0	50	0.0	-32.70	375.76	9.74	-22.96
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC=C1C1CC1	REAL300018343939	0	43	0.0	-29.25	355.90	12.02	-17.23
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=CC=N1	REAL300018343940	1	39	0.0	-33.82	337.81	7.04	-26.78
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1C1CC1	REAL300018343941	0	43	0.0	-29.55	356.11	12.08	-17.47
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=CC=C1Br	REAL300018343942	0	40	0.0	-32.62	319.20	10.15	-22.47
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)C=C2C1C	REAL300018343945	0	44	0.0	-31.95	364.37	10.56	-21.39
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343946	0	43	0.0	-30.98	357.62	8.76	-22.22
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)NN=C1C(F)(F)F	REAL300018343947	1	36	0.0	-33.17	329.48	7.38	-25.79
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC=C1Br	REAL300018343948	0	43	0.0	-31.88	331.12	10.44	-21.44
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1O	REAL300018343949	1	37	0.0	-32.18	322.07	7.35	-24.83
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC=C1Br	REAL300018343952	0	38	0.0	-29.87	324.73	9.24	-20.63
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC=C1Br	REAL300018343954	0	41	0.0	-31.08	341.16	9.48	-21.60
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1Br	REAL300018343955	0	41	0.0	-34.93	355.26	9.30	-25.63
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343956	0	37	0.0	-32.31	327.68	10.42	-21.89
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC=C1Br	REAL300018343957	0	40	0.0	-33.42	340.74	11.26	-22.16
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)CC21	REAL300018343958	0	40	0.0	-29.15	313.87	9.93	-19.22
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC=C1Br	REAL300018343961	0	41	0.0	-31.73	349.42	10.37	-21.36
C[NH+](C)CCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2Br)C=C1	REAL300018343962	1	47	0.0	-72.45	391.60	11.18	-61.27
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343966	1	44	0.0	-29.69	360.28	9.89	-19.80
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC=C1Br	REAL300018343972	1	36	0.0	-36.07	325.50	10.32	-25.75
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC=C1Br	REAL300018343973	0	41	0.0	-30.65	331.83	9.33	-21.32
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Br	REAL300018343974	1	40	0.0	-27.52	355.60	10.19	-17.33
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC=C1Br	REAL300018343977	1	46	0.0	-29.89	373.54	10.45	-19.44
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=CC=C1Br	REAL300018343978	0	43	0.0	-31.00	331.82	10.61	-20.39
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=N1	REAL300018343979	0	39	0.0	-30.41	328.91	6.67	-23.74
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)C2)=C1	REAL300018343981	0	44	0.0	-34.85	359.51	10.32	-24.53
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Br)C2)=N1	REAL300018343982	0	38	0.0	-39.94	322.46	6.66	-33.28
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC=C1Br	REAL300018343983	0	44	0.0	-33.61	343.37	8.90	-24.71
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC=C1Br	REAL300018343985	0	40	0.0	-35.71	345.15	9.31	-26.40
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC=C1Br	REAL300018343986	0	46	0.0	-29.29	378.55	12.91	-16.38
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(C)=C1	REAL300018343987	0	46	0.0	-31.31	365.73	10.43	-20.88
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C(C(F)(F)F)=CO1	REAL300018343989	1	36	0.0	-33.95	330.34	9.25	-24.70
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)=C1	REAL300018343990	0	39	0.0	-33.30	342.90	10.98	-22.32
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=CC=C1Br	REAL300018343991	0	46	0.0	-29.47	343.16	10.92	-18.55
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)CC2=CC=CC=C21	REAL300018343992	0	46	0.0	-35.64	356.45	11.89	-23.75
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC=C1Br	REAL300018343993	0	41	0.0	-31.50	343.39	9.54	-21.96
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC=C1Br	REAL300018343995	0	36	0.0	-34.64	314.93	8.95	-25.69
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC=C1Br	REAL300018343997	0	38	0.0	-34.19	331.92	9.92	-24.27
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Br)C=C1F	REAL300018343999	0	43	0.0	-32.41	366.49	10.38	-22.03
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1F	REAL300018344589	0	36	0.0	-34.06	314.55	10.10	-23.96
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC(C)(C)C1	REAL300018344591	0	48	0.0	-32.19	355.12	10.59	-21.60
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CC=CC=C1Cl	REAL300018344592	0	40	0.0	-34.14	341.98	11.29	-22.85
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344593	0	46	0.0	-37.25	376.50	11.55	-25.70
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(Cl)=C1OC	REAL300018344594	1	41	0.0	-35.13	356.65	9.04	-26.09
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC=C1Cl	REAL300018344596	1	36	0.0	-29.81	323.86	10.94	-18.87
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344597	0	43	0.0	-31.60	357.09	10.24	-21.36
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344598	0	55	0.0	-30.83	444.39	13.48	-17.35
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)CC1=CC=C(C(C)(C)C)C=C1	REAL300018344599	0	54	0.0	-31.45	418.47	13.69	-17.76
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=C1F	REAL300018344600	0	36	0.0	-31.85	312.26	10.03	-21.82
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC=C1Cl	REAL300018344601	0	37	0.0	-28.93	314.98	9.34	-19.59
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344603	0	45	0.0	-30.34	368.97	12.08	-18.26
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=C2)C=C1	REAL300018344604	0	46	0.0	-32.72	383.37	13.47	-19.25
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC(C)=C1	REAL300018344605	0	39	0.0	-29.60	328.36	10.66	-18.94
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344606	1	37	0.0	-28.74	329.77	9.21	-19.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1[N+](=O)[O-]	REAL300018344607	0	39	0.0	-37.33	341.07	10.07	-27.26
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1Cl	REAL300018344608	0	33	0.0	-31.77	321.30	10.40	-21.37
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344609	0	46	0.0	-33.42	382.57	13.48	-19.94
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC=C1Cl	REAL300018344610	0	37	0.0	-34.20	323.41	8.91	-25.29
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1OCC	REAL300018344611	0	47	0.0	-33.66	390.29	10.43	-23.23
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344612	0	45	0.0	-29.32	336.04	10.69	-18.63
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=CC=C1Cl	REAL300018344613	0	36	0.0	-33.22	339.73	10.81	-22.41
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=CC=C1Cl	REAL300018344614	1	33	0.0	-31.64	306.61	9.96	-21.68
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC=C1Cl	REAL300018344615	0	36	0.0	-37.95	327.44	8.50	-29.45
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC=C1Cl	REAL300018344616	0	38	0.0	-32.34	316.78	9.48	-22.86
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC=C1Cl	REAL300018344617	0	37	0.0	-33.57	330.15	9.12	-24.45
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344618	0	39	0.0	-39.41	348.52	6.92	-32.49
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344619	0	47	0.0	-33.69	396.04	12.46	-21.23
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344620	0	46	0.0	-32.42	376.20	10.61	-21.81
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1Cl	REAL300018344621	0	40	0.0	-34.35	339.13	11.39	-22.96
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=CC=C1Cl	REAL300018344622	0	43	0.0	-32.75	375.09	13.26	-19.49
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1Cl	REAL300018344623	0	43	0.0	-32.02	375.60	13.22	-18.80
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC=C1Cl	REAL300018344626	0	38	0.0	-32.58	320.03	9.17	-23.41
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=CC=C1Cl	REAL300018344627	0	30	0.0	-32.35	295.81	9.01	-23.34
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC=C1Cl	REAL300018344628	0	44	0.0	-33.73	361.75	9.30	-24.43
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344629	0	41	0.0	-39.52	360.08	6.11	-33.41
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC=C1Cl	REAL300018344630	0	37	0.0	-31.49	317.50	9.42	-22.07
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC=C1Cl	REAL300018344631	0	37	0.0	-33.22	319.20	9.41	-23.81
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344632	0	36	0.0	-28.98	307.20	9.50	-19.48
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC=C1Cl	REAL300018344633	1	36	0.0	-39.25	326.10	8.49	-30.76
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=CC=C2O1	REAL300018344634	0	47	0.0	-30.91	376.14	11.14	-19.77
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344635	0	48	0.0	-29.79	362.39	12.22	-17.57
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1Cl	REAL300018344636	0	42	0.0	-33.37	356.97	11.03	-22.34
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC=C1Cl	REAL300018344637	0	42	0.0	-35.43	355.90	11.06	-24.37
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=CC=C1Cl	REAL300018344639	0	42	0.0	-35.31	369.15	7.89	-27.42
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=CC=C1Cl	REAL300018344640	0	43	0.0	-37.62	346.15	7.16	-30.46
O=C([O-])C([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=CC=CC=C1Cl	REAL300018344641	0	48	0.0	-32.81	394.23	10.38	-22.43
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=CC=CC=C1Cl	REAL300018344642	0	48	0.0	-31.40	392.95	10.33	-21.07
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC=CC=C1Cl	REAL300018344643	0	47	0.0	-33.29	372.32	8.15	-25.14
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC=C1Cl	REAL300018344644	1	40	0.0	-33.31	350.79	10.61	-22.70
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=CC=C1Cl	REAL300018344645	1	40	0.0	-32.85	361.11	11.06	-21.79
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=N1	REAL300018344646	1	42	0.0	-31.42	350.60	9.21	-22.21
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=CC=C1Cl	REAL300018344647	0	40	0.0	-33.25	356.46	10.02	-23.23
O=C([O-])C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1Cl	REAL300018344648	1	52	0.0	-69.12	419.42	11.34	-57.78
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CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=C1OC	REAL300018344710	0	50	0.0	-33.41	407.12	10.93	-22.48
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CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344716	0	45	0.0	-34.31	359.60	12.03	-22.28
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344719	0	45	0.0	-35.23	381.14	12.43	-22.80
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1Cl	REAL300018344720	0	41	0.0	-31.48	365.83	10.69	-20.79
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C2OC(C)CC2=C1	REAL300018344722	1	45	0.0	-27.29	371.96	9.20	-18.09
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1F	REAL300018344725	0	41	0.0	-32.20	348.74	8.94	-23.26
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344727	0	54	0.0	-50.18	388.74	11.17	-39.01
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344728	0	48	0.0	-34.12	395.98	13.16	-20.96
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=CC=C2O1	REAL300018344729	0	44	0.0	-32.73	365.19	10.64	-22.09
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344732	0	36	0.0	-33.16	309.56	9.55	-23.61
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC(C(F)(F)F)=C1	REAL300018344733	0	40	0.0	-31.98	353.78	9.62	-22.36
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CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344735	0	42	0.0	-31.25	341.32	10.07	-21.18
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344738	0	46	0.0	-30.72	378.49	11.05	-19.67
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344739	0	44	0.0	-33.13	370.52	8.83	-24.30
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344740	0	42	0.0	-27.45	355.21	11.78	-15.67
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300018344741	0	45	0.0	-30.92	340.52	10.55	-20.37
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=CC=C1Cl	REAL300018344742	0	37	0.0	-33.31	340.83	9.45	-23.86
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344743	0	44	0.0	-29.11	352.83	10.37	-18.74
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC=C1Cl	REAL300018344744	0	40	0.0	-30.30	333.26	11.30	-19.00
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344745	0	42	0.0	-35.23	338.92	11.17	-24.06
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344746	0	42	0.0	-29.88	339.41	11.31	-18.57
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)OCO2	REAL300018344747	1	40	0.0	-33.01	340.73	7.41	-25.60
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1OC	REAL300018344748	1	41	0.0	-31.52	353.77	8.93	-22.59
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344750	0	46	0.0	-33.39	379.44	11.12	-22.27
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COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1CN1C=CC=N1	REAL300018344753	0	47	0.0	-35.20	400.05	10.37	-24.83
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=C2O1	REAL300018344754	1	44	0.0	-32.30	361.43	10.55	-21.75
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CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344759	0	39	0.0	-28.16	327.84	11.35	-16.81
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CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344768	0	37	0.0	-36.67	311.27	6.91	-29.76
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=N1	REAL300018344769	1	43	0.0	-33.55	359.46	9.35	-24.20
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CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344786	0	47	0.0	-32.45	358.70	10.74	-21.71
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344787	0	42	0.0	-34.07	345.26	11.36	-22.71
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1C(C)(C)C	REAL300018344788	0	49	0.0	-30.35	386.21	11.31	-19.04
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344790	0	46	0.0	-33.70	366.90	10.54	-23.16
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)C1CCCCC1	REAL300018344791	0	45	0.0	-30.89	341.40	10.76	-20.13
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344792	0	38	0.0	-39.34	342.06	4.35	-34.99
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC=C1Cl	REAL300018344793	0	40	0.0	-35.81	339.08	11.36	-24.45
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C)=C1	REAL300018344794	0	43	0.0	-30.64	349.34	10.14	-20.50
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344795	0	40	0.0	-31.55	336.08	9.42	-22.13
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344796	1	35	0.0	-29.71	327.15	8.44	-21.27
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC=C1Cl	REAL300018344797	0	43	0.0	-36.07	349.75	11.73	-24.34
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=CC=C1[N+](=O)[O-]	REAL300018344801	0	38	0.0	-39.11	322.48	10.38	-28.73
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=C1Br	REAL300018344802	0	36	0.0	-31.71	327.32	10.58	-21.13
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=C1Cl	REAL300018344803	0	37	0.0	-32.85	331.08	9.18	-23.67
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344807	0	39	0.0	-33.35	326.26	8.56	-24.79
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344809	0	39	0.0	-30.17	330.72	10.83	-19.34
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC=C1Cl	REAL300018344811	0	37	0.0	-34.59	323.14	10.90	-23.69
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC=C1Cl	REAL300018344813	0	36	0.0	-32.76	330.04	10.33	-22.43
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CN=C1Cl	REAL300018344815	1	33	0.0	-31.50	304.16	8.27	-23.23
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CN=C1Br	REAL300018344816	1	33	0.0	-31.38	308.46	8.29	-23.09
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC=C1Cl	REAL300018344818	1	33	0.0	-35.84	307.59	6.73	-29.11
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC=C1Cl	REAL300018344819	0	37	0.0	-32.51	324.94	9.42	-23.09
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC=C1Cl	REAL300018344820	0	37	0.0	-33.48	324.84	9.41	-24.07
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344822	0	36	0.0	-30.29	309.40	10.26	-20.03
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344825	0	45	0.0	-38.83	370.40	10.09	-28.74
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344826	0	45	0.0	-31.45	357.62	11.30	-20.15
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344827	0	36	0.0	-31.78	323.69	10.50	-21.28
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344828	0	40	0.0	-31.85	340.60	9.06	-22.79
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344829	0	45	0.0	-27.81	342.39	8.37	-19.44
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC=C1Cl	REAL300018344830	0	38	0.0	-35.19	332.96	9.77	-25.42
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC2=CC=CN=C12	REAL300018344831	0	41	0.0	-33.39	345.39	10.52	-22.87
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C1	REAL300018344832	0	45	0.0	-32.69	341.06	10.45	-22.24
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1C	REAL300018344833	0	46	0.0	-31.34	380.76	11.16	-20.18
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344835	0	43	0.0	-33.00	360.32	11.02	-21.98
O=C([O-])C([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC=CC=C1Cl	REAL300018344837	1	35	0.0	-34.52	330.43	8.94	-25.58
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344839	0	35	0.0	-30.24	299.74	7.60	-22.64
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2Cl)CC[N@@H+]1CC1=CC=CC=C1	REAL300018344840	0	51	0.0	-54.13	392.81	11.54	-42.59
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2Cl)CC[N@H+]1CC1=CC=CC=C1	REAL300018344840	1	51	0.0	-59.24	392.31	11.47	-47.77
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CCN1CC1=CC=CC=C1	REAL300018344840	1	51	0.0	-31.86	386.36	9.99	-21.87
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1Cl	REAL300018344841	0	36	0.0	-32.83	321.99	10.33	-22.50
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC=C1Cl	REAL300018344843	0	40	0.0	-29.84	330.74	11.24	-18.60
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CC=CC=C1Cl	REAL300018344846	0	36	0.0	-31.88	332.28	10.37	-21.51
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344848	0	51	0.0	-31.76	420.34	14.10	-17.66
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1F	REAL300018344849	0	47	0.0	-31.77	388.30	10.56	-21.21
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C(SC)C=C1OC	REAL300018344850	0	45	0.0	-29.16	379.84	9.46	-19.70
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)CC2)C=C1	REAL300018344851	0	53	0.0	-34.63	406.27	10.06	-24.57
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344852	0	44	0.0	-33.86	358.42	11.83	-22.03
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC(C2=CC=CC=C2)C1	REAL300018344853	0	49	0.0	-33.74	381.09	12.75	-20.99
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC2=CC=CC=C21	REAL300018344856	0	43	0.0	-33.16	362.23	10.99	-22.17
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344857	0	39	0.0	-32.54	334.11	7.80	-24.74
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344858	0	40	0.0	-31.65	343.32	9.63	-22.02
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344859	0	43	0.0	-36.32	353.33	9.97	-26.35
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1Cl	REAL300018344861	0	42	0.0	-46.89	318.44	8.91	-37.98
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1Cl	REAL300018344861	1	42	0.0	-49.22	324.33	9.08	-40.14
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC=C1Cl	REAL300018344862	0	49	0.0	-33.29	353.88	11.23	-22.06
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)C(C)C1=CC=CC=C1	REAL300018344863	0	42	0.0	-33.53	324.82	10.78	-22.75
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC=C1Cl	REAL300018344864	0	41	0.0	-37.94	338.02	10.39	-27.55
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C=CC=C12	REAL300018344865	0	43	0.0	-31.99	352.50	10.80	-21.19
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344867	0	41	0.0	-36.07	335.06	9.64	-26.43
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344868	0	42	0.0	-29.06	344.89	11.21	-17.85
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=CC=C1Cl	REAL300018344870	0	44	0.0	-36.11	366.15	12.40	-23.71
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC=C1Cl	REAL300018344871	0	47	0.0	-34.72	346.67	8.88	-25.84
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1C	REAL300018344872	0	39	0.0	-31.40	321.94	7.46	-23.94
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC=C1Cl	REAL300018344873	0	36	0.0	-39.17	329.42	10.64	-28.53
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC=C1Cl	REAL300018344875	0	33	0.0	-30.37	315.02	9.63	-20.74
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344877	0	43	0.0	-29.97	338.82	8.87	-21.10
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC=C1Cl	REAL300018344878	0	33	0.0	-34.78	318.44	9.54	-25.24
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C)=C1	REAL300018344879	0	46	0.0	-29.29	373.17	10.99	-18.30
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1OC1CC1	REAL300018344880	0	45	0.0	-33.86	375.31	10.20	-23.66
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC=C1Cl	REAL300018344881	0	46	0.0	-32.95	344.52	10.91	-22.04
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC=C1Cl	REAL300018344882	0	35	0.0	-34.13	314.96	8.41	-25.72
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC=C1Cl	REAL300018344883	0	43	0.0	-31.23	336.52	11.28	-19.95
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344885	0	45	0.0	-32.68	334.80	10.11	-22.57
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC=C1Cl	REAL300018344886	0	43	0.0	-36.05	337.35	11.33	-24.72
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C(F)F)=N1	REAL300018344887	1	36	0.0	-29.81	318.07	8.06	-21.75
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)C1CCCCCC1	REAL300018344888	0	45	0.0	-29.60	329.60	10.53	-19.07
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344890	0	48	0.0	-32.56	349.34	10.62	-21.94
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC=C1Cl	REAL300018344891	0	41	0.0	-29.80	332.75	9.37	-20.43
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC=C1Cl	REAL300018344892	0	40	0.0	-36.41	342.06	11.57	-24.84
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344893	0	42	0.0	-33.85	346.85	11.00	-22.85
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344894	1	38	0.0	-41.35	340.71	4.35	-37.00
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC=C1Cl	REAL300018344897	0	37	0.0	-32.66	313.02	8.00	-24.66
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=CC=C1Cl	REAL300018344900	0	49	0.0	-33.98	372.56	12.55	-21.43
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C=C2)=C1	REAL300018344902	0	49	0.0	-32.51	404.85	14.13	-18.38
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=C1N1C=NC=N1	REAL300018344903	0	42	0.0	-39.43	356.76	12.84	-26.59
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344904	0	45	0.0	-29.91	333.97	10.24	-19.67
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344905	0	45	0.0	-33.01	324.96	9.96	-23.05
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)CC1	REAL300018344906	0	51	0.0	-33.46	366.59	11.26	-22.20
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC=C1Cl	REAL300018344908	0	40	0.0	-35.57	352.19	9.94	-25.63
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=CC=C1Cl	REAL300018344909	1	40	0.0	-33.27	348.16	7.63	-25.64
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(Br)=C1	REAL300018344910	1	37	0.0	-25.99	329.06	9.22	-16.77
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344911	0	40	0.0	-31.71	342.90	9.12	-22.59
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344912	0	43	0.0	-34.15	378.74	11.63	-22.52
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC=C1Cl	REAL300018344914	0	44	0.0	-33.11	388.42	13.49	-19.62
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344915	0	50	0.0	-38.92	396.87	10.46	-28.46
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344916	0	39	0.0	-36.28	329.39	10.84	-25.44
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1OC	REAL300018344917	0	44	0.0	-32.24	356.61	9.10	-23.14
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC=C1Cl	REAL300018344918	0	40	0.0	-29.34	325.76	11.28	-18.06
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC=C1Cl	REAL300018344920	0	36	0.0	-40.80	321.12	10.26	-30.54
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC(C)=C1	REAL300018344921	0	42	0.0	-35.07	349.87	11.43	-23.64
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C)=C1OC	REAL300018344922	0	50	0.0	-34.48	392.83	10.36	-24.12
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C=N2)C=C1	REAL300018344923	1	44	0.0	-34.44	376.16	9.91	-24.53
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344924	0	39	0.0	-33.25	330.21	10.36	-22.89
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344925	0	50	0.0	-29.68	407.18	10.04	-19.64
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344926	0	42	0.0	-36.80	350.93	11.49	-25.31
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344927	0	43	0.0	-35.76	374.08	11.80	-23.96
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1Cl	REAL300018344928	0	46	0.0	-32.75	374.06	12.93	-19.82
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344930	0	39	0.0	-35.49	321.24	8.35	-27.14
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=CN=C21	REAL300018344931	0	38	0.0	-35.86	329.86	8.46	-27.40
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344932	0	42	0.0	-37.38	354.27	11.53	-25.85
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344933	0	45	0.0	-39.41	371.36	12.02	-27.39
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344934	0	47	0.0	-31.87	360.36	8.10	-23.77
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=N1	REAL300018344935	0	39	0.0	-36.83	333.66	8.73	-28.10
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=CC=C1Cl	REAL300018344937	0	44	0.0	-35.43	376.48	12.85	-22.58
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=CC=C1Cl	REAL300018344942	0	44	0.0	-31.32	331.55	8.91	-22.41
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C2)CO1	REAL300018344943	0	44	0.0	-36.30	352.17	8.95	-27.35
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C2)CO1	REAL300018344944	0	41	0.0	-34.73	328.89	8.16	-26.57
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC=C1Cl	REAL300018344945	0	41	0.0	-34.34	331.06	9.58	-24.76
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC=C1Cl	REAL300018344946	0	40	0.0	-36.51	329.97	10.53	-25.98
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=C21	REAL300018344947	0	39	0.0	-32.82	322.44	10.52	-22.30
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344948	0	40	0.0	-31.84	332.14	9.30	-22.54
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344951	0	39	0.0	-28.72	317.04	10.57	-18.15
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344952	0	36	0.0	-33.39	315.65	10.13	-23.26
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C)=C1C	REAL300018344953	0	42	0.0	-27.97	330.07	10.92	-17.05
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=CC2=C1	REAL300018344955	1	40	0.0	-31.52	353.41	10.22	-21.30
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)=CC=C21	REAL300018344957	0	45	0.0	-31.60	358.92	9.53	-22.07
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)CC2	REAL300018344958	0	50	0.0	-33.47	372.49	9.66	-23.81
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1Cl	REAL300018344959	0	37	0.0	-31.84	343.06	10.86	-20.98
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=C1C1CC1	REAL300018344960	0	43	0.0	-29.93	352.57	11.95	-17.98
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl)C2	REAL300018344961	0	47	0.0	-38.08	365.85	10.79	-27.29
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=CC=N1	REAL300018344962	0	39	0.0	-34.58	334.49	6.97	-27.61
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1C1CC1	REAL300018344963	0	43	0.0	-30.24	352.91	12.03	-18.21
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C(C)=C2)C=C1	REAL300018344964	0	46	0.0	-36.52	380.37	11.69	-24.83
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC=CC=C1Cl	REAL300018344965	0	39	0.0	-33.35	359.03	11.27	-22.08
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344966	0	43	0.0	-35.07	373.54	11.60	-23.47
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C=C2)C=C1Cl	REAL300018344967	0	43	0.0	-33.94	382.45	11.62	-22.32
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C=C2C1C	REAL300018344970	0	44	0.0	-32.70	361.23	10.50	-22.20
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1OC(F)F	REAL300018344971	0	40	0.0	-34.43	344.87	9.66	-24.77
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344972	0	43	0.0	-31.74	354.44	8.71	-23.03
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)NN=C1C(F)(F)F	REAL300018344973	1	36	0.0	-33.90	326.26	7.32	-26.58
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC=C1Cl	REAL300018344974	0	43	0.0	-32.69	327.85	10.37	-22.32
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C=C1O	REAL300018344975	0	37	0.0	-32.93	318.93	7.30	-25.63
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC=C1Cl	REAL300018344978	0	38	0.0	-30.60	321.40	9.17	-21.43
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC=C1Cl	REAL300018344980	0	41	0.0	-31.86	337.86	9.41	-22.45
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1Cl	REAL300018344981	0	41	0.0	-35.65	352.11	9.23	-26.42
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=CC=C1Cl	REAL300018344982	0	47	0.0	-38.62	383.92	11.12	-27.50
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344983	0	37	0.0	-33.10	324.37	10.34	-22.76
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC=C1Cl	REAL300018344984	0	40	0.0	-34.18	337.42	11.18	-23.00
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CC=CC=C1Cl	REAL300018344985	0	40	0.0	-30.32	345.59	11.57	-18.75
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC=C1Cl	REAL300018344987	0	41	0.0	-32.43	346.08	10.30	-22.13
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC=C1Cl	REAL300018344988	1	37	0.0	-27.84	334.67	9.17	-18.67
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=CC=C1Cl	REAL300018344989	0	39	0.0	-35.56	357.68	11.28	-24.28
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)C(C)=C1	REAL300018344990	0	46	0.0	-35.67	379.85	12.37	-23.30
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3Cl)C=C2)C=N1	REAL300018344991	0	46	0.0	-37.30	388.67	13.13	-24.17
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC=C1Cl	REAL300018344992	0	47	0.0	-29.65	379.11	13.35	-16.30
C[NH+](C)CCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2Cl)C=C1	REAL300018344993	1	47	0.0	-73.25	388.46	11.13	-62.12
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC=C1Cl	REAL300018344995	0	39	0.0	-32.55	335.58	11.15	-21.40
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2Cl)=C1	REAL300018344999	0	44	0.0	-30.42	356.94	9.82	-20.60
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2F)CC(C)(C)C1	REAL300018345596	0	48	0.0	-35.33	348.53	10.27	-25.06
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CC=CC=C1F	REAL300018345597	0	40	0.0	-39.97	338.36	11.21	-28.76
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345598	0	46	0.0	-40.36	369.03	11.20	-29.16
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(Cl)=C1OC	REAL300018345599	1	41	0.0	-39.02	354.03	8.84	-30.18
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC=C1F	REAL300018345601	1	36	0.0	-32.81	317.63	10.62	-22.19
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345602	0	43	0.0	-33.81	348.23	9.87	-23.94
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345603	0	55	0.0	-34.36	439.12	13.20	-21.16
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F)CC1=CC=C(C(C)(C)C)C=C1	REAL300018345604	0	54	0.0	-34.34	411.87	13.38	-20.96
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345606	0	45	0.0	-33.25	361.42	11.74	-21.51
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)=C2)C=C1	REAL300018345607	0	46	0.0	-35.60	375.90	13.13	-22.47
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345608	1	37	0.0	-31.50	322.22	8.86	-22.64
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1[N+](=O)[O-]	REAL300018345609	0	39	0.0	-40.33	334.48	9.75	-30.58
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1F	REAL300018345610	0	33	0.0	-34.67	313.74	10.06	-24.61
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345611	0	46	0.0	-36.48	376.32	13.16	-23.32
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC=C1F	REAL300018345612	0	37	0.0	-37.40	317.00	8.60	-28.80
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1OCC	REAL300018345613	0	47	0.0	-36.49	382.73	10.09	-26.40
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=CC=C1F	REAL300018345614	0	36	0.0	-36.16	332.17	10.46	-25.70
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=CC=C1F	REAL300018345615	1	33	0.0	-33.92	296.69	9.52	-24.40
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC=C1F	REAL300018345616	0	36	0.0	-40.31	318.56	8.12	-32.19
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC=C1F	REAL300018345617	0	38	0.0	-36.20	313.57	9.26	-26.94
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC=C1F	REAL300018345618	0	37	0.0	-36.83	323.74	8.81	-28.02
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345619	0	39	0.0	-42.21	340.96	6.57	-35.64
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345620	0	47	0.0	-36.58	388.47	12.11	-24.47
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345621	0	46	0.0	-36.37	366.23	10.34	-26.03
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1F	REAL300018345622	0	40	0.0	-37.88	332.73	11.08	-26.80
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=CC=C1F	REAL300018345623	0	43	0.0	-35.92	368.66	12.95	-22.97
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1F	REAL300018345624	0	43	0.0	-35.97	371.23	12.98	-22.99
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC=C1F	REAL300018345627	0	38	0.0	-35.77	313.63	8.86	-26.91
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=CC=C1F	REAL300018345628	0	30	0.0	-36.29	291.90	8.77	-27.52
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1OCC1=CC=CN=C1	REAL300018345629	0	50	0.0	-39.70	414.30	10.40	-29.30
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC=C1F	REAL300018345630	0	44	0.0	-36.62	354.20	8.96	-27.66
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345631	0	41	0.0	-41.95	351.32	5.73	-36.22
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC=C1F	REAL300018345632	1	36	0.0	-41.59	317.37	8.11	-33.48
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)=CC=C2O1	REAL300018345633	0	47	0.0	-34.39	370.88	10.86	-23.53
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345634	0	48	0.0	-32.79	355.12	11.90	-20.89
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1F	REAL300018345635	0	42	0.0	-35.30	347.35	10.61	-24.69
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC=C1F	REAL300018345636	0	42	0.0	-38.56	349.66	10.74	-27.82
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=CC=C1F	REAL300018345638	0	42	0.0	-37.55	360.29	7.51	-30.04
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=CC=C1F	REAL300018345639	0	43	0.0	-40.74	339.37	6.84	-33.90
O=C([O-])C([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=CC=CC=C1F	REAL300018345640	0	48	0.0	-36.56	388.93	10.12	-26.44
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=CC=CC=C1F	REAL300018345641	0	48	0.0	-34.43	386.35	10.02	-24.41
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC=CC=C1F	REAL300018345642	0	47	0.0	-36.18	365.52	7.84	-28.34
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=CC=C1F	REAL300018345643	1	40	0.0	-36.27	344.20	10.30	-25.97
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CC=CC=C1F	REAL300018345644	1	40	0.0	-36.49	355.84	10.78	-25.71
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=N1	REAL300018345645	1	42	0.0	-34.41	343.04	8.87	-25.54
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC(C)=C1OCC1=CC=CC=N1	REAL300018345646	0	52	0.0	-36.88	426.12	12.14	-24.74
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CC=CC=C1F	REAL300018345647	0	40	0.0	-36.20	349.88	9.71	-26.49
O=C([O-])C(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=CC=CC=C1F	REAL300018345648	1	52	0.0	-72.64	411.85	11.00	-61.64
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CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345785	0	46	0.0	-36.84	360.65	10.21	-26.63
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345786	0	38	0.0	-41.74	333.13	3.98	-37.76
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC=C1F	REAL300018345787	0	40	0.0	-39.00	331.55	11.01	-27.99
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1	REAL300018345788	0	43	0.0	-33.06	340.28	9.73	-23.33
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345789	0	40	0.0	-34.64	329.79	9.10	-25.54
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345790	0	35	0.0	-32.58	320.56	8.13	-24.45
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC=C1F	REAL300018345791	0	43	0.0	-39.45	343.35	11.41	-28.04
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=CC=C1[N+](=O)[O-]	REAL300018345794	0	38	0.0	-41.46	311.52	10.00	-31.46
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC=C1Br	REAL300018345795	0	36	0.0	-34.68	319.77	10.24	-24.44
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC=C1Cl	REAL300018345796	0	37	0.0	-35.84	324.49	8.87	-26.97
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC=C1F	REAL300018345800	0	37	0.0	-37.87	316.88	10.57	-27.30
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC=C1F	REAL300018345802	0	36	0.0	-35.79	323.81	10.02	-25.77
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CN=C1Br	REAL300018345804	1	33	0.0	-33.60	299.59	7.90	-25.70
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC=C1F	REAL300018345806	1	33	0.0	-38.28	298.90	6.35	-31.93
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC=C1F	REAL300018345807	0	37	0.0	-35.57	318.63	9.10	-26.47
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC=C1F	REAL300018345808	0	37	0.0	-36.60	318.54	9.10	-27.50
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345810	0	36	0.0	-33.40	302.99	9.95	-23.45
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC=C1F	REAL300018345811	1	35	0.0	-34.47	309.94	8.76	-25.71
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345813	0	45	0.0	-42.17	364.18	9.79	-32.38
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345814	0	36	0.0	-34.70	317.09	10.18	-24.52
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345815	0	40	0.0	-35.35	335.33	8.78	-26.57
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC=C1F	REAL300018345816	0	38	0.0	-38.73	327.69	9.49	-29.24
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC2=CC=CN=C12	REAL300018345817	0	41	0.0	-36.50	338.99	10.21	-26.29
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1C	REAL300018345818	0	46	0.0	-33.59	371.88	10.79	-22.80
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345820	0	43	0.0	-36.17	354.08	10.70	-25.47
O=C([O-])C([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC=CC=C1F	REAL300018345822	1	35	0.0	-37.58	324.15	8.62	-28.96
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2F)CC[N@@H+]1CC1=CC=CC=C1	REAL300018345824	0	51	0.0	-60.81	389.69	11.33	-49.48
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2F)CC[N@H+]1CC1=CC=CC=C1	REAL300018345824	1	51	0.0	-62.87	385.79	11.14	-51.73
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2F)CCN1CC1=CC=CC=C1	REAL300018345824	1	51	0.0	-35.10	380.14	9.70	-25.40
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1F	REAL300018345825	0	36	0.0	-35.12	313.11	9.95	-25.17
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CC=CC=C1F	REAL300018345828	0	36	0.0	-35.63	328.37	10.13	-25.50
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345830	0	51	0.0	-35.37	415.11	13.82	-21.55
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1F	REAL300018345831	0	47	0.0	-34.03	379.42	10.19	-23.84
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C(SC)C=C1OC	REAL300018345832	0	45	0.0	-32.47	374.58	9.18	-23.29
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC=CC=C3F)CC2)C=C1	REAL300018345833	0	53	0.0	-37.10	397.81	9.69	-27.41
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345834	0	44	0.0	-36.92	351.18	11.52	-25.40
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2F)CC(C2=CC=CC=C2)C1	REAL300018345835	0	49	0.0	-37.14	374.71	12.44	-24.70
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC2=CC=CC=C21	REAL300018345837	0	43	0.0	-35.15	352.22	10.62	-24.53
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345838	0	39	0.0	-34.80	325.24	7.41	-27.39
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345839	0	40	0.0	-34.60	336.72	9.31	-25.29
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345840	0	43	0.0	-38.73	344.44	9.59	-29.14
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC=C1F	REAL300018345842	0	49	0.0	-35.92	345.19	10.86	-25.06
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1F)C(C)C1=CC=CC=C1	REAL300018345843	0	42	0.0	-37.02	318.55	10.48	-26.54
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC=C1F	REAL300018345844	0	41	0.0	-41.30	331.76	10.08	-31.22
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=CC=C12	REAL300018345845	0	43	0.0	-34.95	346.19	10.48	-24.47
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345847	0	41	0.0	-38.30	330.25	9.23	-29.07
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345848	0	42	0.0	-31.94	338.36	10.89	-21.05
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=CC=C1F	REAL300018345850	0	44	0.0	-38.93	357.91	12.02	-26.91
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC=C1F	REAL300018345851	0	47	0.0	-37.87	339.16	8.54	-29.33
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1C	REAL300018345852	0	39	0.0	-33.84	312.75	7.07	-26.77
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC=C1F	REAL300018345853	0	36	0.0	-40.91	319.79	10.22	-30.69
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC=C1F	REAL300018345855	0	33	0.0	-34.18	311.12	9.39	-24.79
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC=C1F	REAL300018345857	0	33	0.0	-37.79	310.88	9.19	-28.60
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1	REAL300018345858	0	46	0.0	-32.73	367.90	10.69	-22.04
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1OC1CC1	REAL300018345859	0	45	0.0	-37.37	370.06	9.92	-27.45
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC=C1F	REAL300018345860	0	46	0.0	-36.12	336.97	10.58	-25.54
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC=C1F	REAL300018345861	0	35	0.0	-37.10	308.37	8.10	-29.00
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC=C1F	REAL300018345862	0	43	0.0	-34.27	329.91	10.97	-23.30
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC=C1F	REAL300018345864	0	43	0.0	-39.26	330.61	11.02	-28.24
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C(F)F)=N1	REAL300018345865	1	36	0.0	-31.86	309.18	7.68	-24.18
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300018345867	0	48	0.0	-35.68	341.80	10.28	-25.40
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC=C1F	REAL300018345868	0	41	0.0	-32.01	322.12	8.91	-23.10
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC=C1F	REAL300018345869	0	40	0.0	-39.63	335.83	11.25	-28.38
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345870	0	42	0.0	-37.01	338.84	10.64	-26.37
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345871	1	38	0.0	-44.08	331.92	3.97	-40.11
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=CC=C1F	REAL300018345874	0	49	0.0	-38.20	368.57	12.32	-25.88
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=C2)=C1	REAL300018345876	0	49	0.0	-35.48	397.29	13.79	-21.69
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC=C1N1C=NC=N1	REAL300018345877	0	42	0.0	-41.70	347.89	12.47	-29.23
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2F)CC1	REAL300018345878	0	51	0.0	-36.69	359.76	10.94	-25.75
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC=C1F	REAL300018345880	0	40	0.0	-38.42	344.64	9.60	-28.82
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CC=CC=C1F	REAL300018345881	1	40	0.0	-36.43	341.79	7.32	-29.11
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(Br)=C1	REAL300018345882	1	37	0.0	-29.59	325.10	8.97	-20.62
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345883	0	40	0.0	-34.62	335.34	8.77	-25.85
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345884	0	43	0.0	-37.33	372.34	11.32	-26.01
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC=C1F	REAL300018345886	0	44	0.0	-35.47	379.55	13.12	-22.35
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345887	0	50	0.0	-41.93	390.26	10.14	-31.79
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1OC	REAL300018345888	0	44	0.0	-35.20	350.37	8.78	-26.42
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1COC1=CC=CC=C1	REAL300018345890	0	51	0.0	-33.69	416.90	11.74	-21.95
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC=C1F	REAL300018345891	0	36	0.0	-44.06	313.66	9.92	-34.14
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC(C)=C1	REAL300018345892	0	42	0.0	-38.20	343.27	11.12	-27.08
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1OC	REAL300018345893	0	50	0.0	-37.63	385.51	10.02	-27.61
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=N2)C=C1	REAL300018345894	1	44	0.0	-36.70	367.27	9.53	-27.17
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345895	0	39	0.0	-36.34	322.19	10.00	-26.34
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345896	0	50	0.0	-33.20	401.88	9.77	-23.43
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345897	0	42	0.0	-40.44	348.06	11.33	-29.11
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345898	0	43	0.0	-39.60	370.77	11.56	-28.04
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345899	0	48	0.0	-33.83	400.76	12.43	-21.40
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1F	REAL300018345900	0	46	0.0	-34.64	364.43	12.51	-22.13
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)=CN=C21	REAL300018345902	0	38	0.0	-38.77	323.26	8.15	-30.62
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345903	0	42	0.0	-41.20	348.98	11.25	-29.95
CSC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345904	0	37	0.0	-33.78	335.83	10.59	-23.19
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345905	0	45	0.0	-42.23	365.48	11.71	-30.52
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345906	0	47	0.0	-34.94	352.70	7.76	-27.18
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=CC=C1F	REAL300018345908	0	44	0.0	-38.63	369.00	12.51	-26.12
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=CC=C1F	REAL300018345912	0	44	0.0	-33.75	322.84	8.54	-25.21
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C2)CO1	REAL300018345913	0	44	0.0	-38.51	342.57	8.52	-29.99
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC=C1F	REAL300018345914	0	41	0.0	-37.41	324.29	9.26	-28.15
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC=C1F	REAL300018345915	0	40	0.0	-39.71	323.22	10.21	-29.50
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)=C21	REAL300018345916	0	39	0.0	-35.83	316.16	10.22	-25.61
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345917	0	40	0.0	-34.64	324.60	8.95	-25.69
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1C	REAL300018345920	0	42	0.0	-31.15	323.66	10.61	-20.54
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)=CC2=C1	REAL300018345922	1	40	0.0	-34.59	347.18	9.90	-24.69
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)=CC=C21	REAL300018345924	0	45	0.0	-34.67	352.69	9.22	-25.45
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=CC=C1F)CC2	REAL300018345925	0	50	0.0	-36.75	366.26	9.36	-27.39
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1Cl	REAL300018345926	0	37	0.0	-34.80	335.50	10.52	-24.28
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC=C1C1CC1	REAL300018345927	0	43	0.0	-32.77	345.99	11.64	-21.13
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=CC=C1F)C2	REAL300018345928	0	47	0.0	-41.54	359.54	10.48	-31.06
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC=N1	REAL300018345929	0	39	0.0	-37.51	327.90	6.66	-30.85
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1C1CC1	REAL300018345930	0	43	0.0	-33.39	346.68	11.71	-21.68
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C(C)=C2)C=C1	REAL300018345931	0	46	0.0	-38.87	370.61	11.26	-27.61
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CC=CC=C1F	REAL300018345932	0	39	0.0	-36.30	351.47	10.93	-25.37
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345933	0	43	0.0	-37.45	364.49	11.19	-26.26
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=C2)C=C1Cl	REAL300018345934	0	43	0.0	-36.89	375.86	11.30	-25.59
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=C2C1C	REAL300018345936	0	44	0.0	-35.53	353.67	10.15	-25.38
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1OC(F)F	REAL300018345937	0	40	0.0	-37.31	338.28	9.34	-27.97
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345938	0	43	0.0	-34.21	345.73	8.32	-25.89
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)NN=C1C(F)(F)F	REAL300018345939	1	36	0.0	-36.40	317.24	6.93	-29.47
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC=C1F	REAL300018345942	0	38	0.0	-34.11	316.13	8.89	-25.22
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC=C1F	REAL300018345944	0	41	0.0	-35.63	333.96	9.17	-26.46
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=CC=C1F	REAL300018345945	0	41	0.0	-37.98	343.24	8.86	-29.12
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=CC=C1F	REAL300018345946	0	47	0.0	-41.34	374.45	10.71	-30.63
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345947	0	37	0.0	-36.93	320.46	10.10	-26.83
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC=C1F	REAL300018345948	0	40	0.0	-39.98	333.79	11.11	-28.87
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CC=CC=C1F	REAL300018345949	0	40	0.0	-33.17	339.04	11.25	-21.92
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC=C1F	REAL300018345951	0	41	0.0	-35.94	340.82	10.02	-25.92
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC=C1F	REAL300018345952	1	37	0.0	-31.59	330.70	8.92	-22.67
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CC=CC=C1F	REAL300018345953	0	39	0.0	-38.04	348.94	10.89	-27.15
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1	REAL300018345954	0	46	0.0	-38.02	370.08	11.95	-26.07
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=C2)C=N1	REAL300018345955	0	46	0.0	-39.62	379.80	12.76	-26.86
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC=C1F	REAL300018345956	0	47	0.0	-32.87	372.71	13.04	-19.83
C[NH+](C)CCC1=CC=C(CNC(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345957	1	47	0.0	-76.81	380.90	10.77	-66.04
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345959	0	39	0.0	-35.46	328.98	10.84	-24.62
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345961	0	44	0.0	-33.93	351.68	9.54	-24.39
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC=C1F	REAL300018345967	1	36	0.0	-39.96	316.07	9.95	-30.01
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC=C1F	REAL300018345968	0	41	0.0	-35.41	326.55	9.07	-26.34
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1F	REAL300018345969	1	40	0.0	-31.70	347.00	9.83	-21.87
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC=C1F	REAL300018345972	1	46	0.0	-33.55	363.62	10.07	-23.48
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=CC=C1C(C)(C)C	REAL300018345973	0	49	0.0	-32.22	373.93	10.82	-21.40
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=N1	REAL300018345975	0	39	0.0	-34.25	319.40	6.30	-27.95
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C2)=C1	REAL300018345977	0	44	0.0	-38.91	348.87	9.92	-28.99
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C2)=N1	REAL300018345978	0	38	0.0	-43.48	309.77	6.19	-37.29
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC=C1F	REAL300018345979	0	44	0.0	-38.80	336.86	8.62	-30.18
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC=C1F	REAL300018345980	0	40	0.0	-39.34	335.25	8.91	-30.43
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC=C1F	REAL300018345981	0	46	0.0	-33.26	368.85	12.54	-20.72
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345982	0	43	0.0	-36.70	375.14	9.79	-26.91
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1	REAL300018345983	0	46	0.0	-40.87	353.49	9.83	-31.04
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=NN1CC	REAL300018345984	0	42	0.0	-32.72	339.62	9.00	-23.72
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C(F)(F)F)=CO1	REAL300018345985	1	36	0.0	-37.55	319.61	8.85	-28.70
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=C1	REAL300018345986	0	39	0.0	-37.20	333.46	10.61	-26.59
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC=C1F	REAL300018345987	0	39	0.0	-35.81	343.20	9.83	-25.98
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C(C)=C1	REAL300018345988	0	49	0.0	-37.63	380.64	10.87	-26.76
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=CC=C1F	REAL300018345989	0	46	0.0	-33.15	333.11	10.51	-22.64
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2F)CC2=CC=CC=C21	REAL300018345990	0	46	0.0	-39.79	346.45	11.48	-28.31
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC=C1F	REAL300018345991	0	40	0.0	-34.30	344.52	11.44	-22.86
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)=CC=C1O	REAL300018345992	0	50	0.0	-41.83	394.33	9.11	-32.72
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=CC=C1F	REAL300018345993	0	39	0.0	-34.14	331.42	11.54	-22.60
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=CC=CC=C1F	REAL300018345994	0	44	0.0	-36.27	385.70	12.41	-23.86
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3F)C=C2)=C1	REAL300018345995	0	48	0.0	-38.77	397.16	11.17	-27.60
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)C=C1	REAL300018345996	0	48	0.0	-40.02	399.18	11.83	-28.19
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=CC=C1F	REAL300018345997	0	37	0.0	-37.10	336.65	10.54	-26.56
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1)C1=CC=CC=C1F	REAL300018345998	0	47	0.0	-33.98	406.13	12.77	-21.21
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC=C1F	REAL300018345999	0	41	0.0	-34.71	331.46	9.10	-25.61
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2F)SC2=CC(F)=CC=C12	REAL300018346000	1	39	0.0	-31.06	335.67	11.07	-19.99
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])=C1	REAL300018346600	0	40	0.0	-35.27	330.28	8.91	-26.36
COC1=CC=CC(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])=C1	REAL300018346602	0	52	0.0	-33.11	374.00	9.50	-23.61
COC1=CC=CC(C([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])=C1	REAL300018346603	0	44	0.0	-36.46	363.36	10.37	-26.09
COC1=CC=CC(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018346604	0	50	0.0	-37.58	393.63	10.39	-27.19
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])=C1	REAL300018346605	0	45	0.0	-30.18	379.50	8.01	-22.17
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300018346606	1	44	0.0	-34.35	372.25	10.85	-23.50
COC1=CC=CC(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300018346607	1	40	0.0	-33.98	340.35	9.71	-24.27
COC1=CC=CC(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=C1	REAL300018346608	0	47	0.0	-32.98	374.16	9.08	-23.90
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346609	0	59	0.0	-32.80	463.73	12.38	-20.42
COC1=CC=CC(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300018346610	0	58	0.0	-32.77	436.56	12.56	-20.21
COC1=CC=CC(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300018346611	0	40	0.0	-33.98	331.60	8.93	-25.05
COC1=CC=CC(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=C1	REAL300018346612	0	41	0.0	-32.00	334.94	8.20	-23.80
COC1=CC=CC(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=C1	REAL300018346614	0	49	0.0	-31.19	384.11	10.86	-20.33
COC1=CC=CC(C([NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C(=O)[O-])=C1	REAL300018346615	0	50	0.0	-32.62	399.20	12.28	-20.34
COC1=CC=CC(C([NH2+]CC2=CC(OC)=CC=C2Br)C(=O)[O-])=C1	REAL300018346616	0	41	0.0	-28.14	348.49	8.07	-20.07
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300018346617	0	43	0.0	-39.44	360.41	8.97	-30.47
COC1=CC=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018346618	0	37	0.0	-32.96	337.04	9.21	-23.75
COC1=CC=CC(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])=C1	REAL300018346619	0	50	0.0	-34.03	399.63	12.28	-21.75
COC1=CC=CC(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])=C1	REAL300018346620	0	41	0.0	-35.98	344.15	7.81	-28.17
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1OCC	REAL300018346621	0	51	0.0	-34.82	406.02	9.24	-25.58
COC1=CC=CC(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])=C1	REAL300018346622	0	49	0.0	-33.04	358.28	9.28	-23.76
COC1=CC=CC(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346623	0	40	0.0	-34.58	356.78	9.64	-24.94
COC1=CC=CC(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])=C1	REAL300018346624	0	37	0.0	-32.99	324.94	8.78	-24.21
COC1=CC=CC(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])=C1	REAL300018346625	0	40	0.0	-39.60	344.50	7.33	-32.27
COC1=CC=CC(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018346626	0	42	0.0	-33.71	341.33	8.48	-25.23
COC1=CC=CC(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346627	0	41	0.0	-35.31	350.89	8.02	-27.29
COC1=CC=CC(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])=C1	REAL300018346628	0	43	0.0	-41.05	365.58	5.75	-35.30
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C(=O)[O-])=C1	REAL300018346629	0	51	0.0	-34.62	411.17	11.24	-23.38
COC1=CC=CC(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018346630	0	50	0.0	-34.27	391.79	9.56	-24.71
COC1=CC=CC(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=C1	REAL300018346631	0	44	0.0	-35.28	358.47	10.24	-25.04
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])=C1	REAL300018346632	0	47	0.0	-33.87	393.90	12.11	-21.76
COC1=CC=CC(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])=C1	REAL300018346633	0	47	0.0	-34.37	395.85	12.16	-22.21
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018346634	1	40	0.0	-32.08	337.15	8.88	-23.20
COC1=CC=CC(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=C1	REAL300018346636	0	42	0.0	-34.31	340.79	8.07	-26.24
COC1=CC=CC(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])=C1	REAL300018346637	0	34	0.0	-33.79	315.23	7.87	-25.92
COC1=CC=CC(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])=C1	REAL300018346638	0	48	0.0	-34.97	377.50	8.11	-26.86
COC1=CC=CC(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018346639	0	45	0.0	-40.20	377.16	4.91	-35.29
COC1=CC=CC(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=C1	REAL300018346640	0	41	0.0	-31.17	334.75	8.22	-22.95
COC1=CC=CC(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=C1	REAL300018346641	0	41	0.0	-34.19	334.33	8.20	-25.99
COC1=CC=CC(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])=C1	REAL300018346642	0	40	0.0	-32.05	328.61	8.63	-23.42
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])=C1	REAL300018346643	0	40	0.0	-40.63	344.47	7.32	-33.31
COC1=CC=CC(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])=C1	REAL300018346644	0	51	0.0	-32.99	395.51	10.05	-22.94
COC1=CC=CC(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300018346645	0	52	0.0	-30.90	379.81	11.06	-19.84
COC1=CC=CC(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=C1	REAL300018346646	0	46	0.0	-36.79	372.81	9.84	-26.95
COC1=CC=CC(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])=C1	REAL300018346647	0	46	0.0	-35.55	374.33	9.89	-25.66
COC1=CC=CC(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])=C1	REAL300018346648	1	54	0.0	-33.05	414.12	6.94	-26.11
COC1=CC=CC(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])=C1	REAL300018346649	0	46	0.0	-36.77	386.30	6.73	-30.04
COC1=CC=CC(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])=C1	REAL300018346650	0	47	0.0	-37.48	364.66	6.05	-31.43
COC1=CC=CC(C([NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])=C1	REAL300018346651	0	52	0.0	-33.71	412.87	9.28	-24.43
COC1=CC=CC(C([NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C(=O)[O-])=C1	REAL300018346652	0	52	0.0	-32.19	411.62	9.21	-22.98
COC1=CC=CC(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])=C1	REAL300018346653	0	51	0.0	-33.61	390.70	6.72	-26.89
COC1=CC=CC(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])=C1	REAL300018346654	0	44	0.0	-34.92	368.20	9.45	-25.47
COC1=CC=CC(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])=C1	REAL300018346655	0	44	0.0	-34.51	378.52	9.90	-24.61
COC1=CC=CC(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300018346656	0	46	0.0	-35.82	367.66	8.05	-27.77
COC1=CC=CC(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018346657	0	44	0.0	-34.67	373.89	8.86	-25.81
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=C1	REAL300018346659	1	44	0.0	-35.36	387.54	11.46	-23.90
COC1=CC=CC(C([NH2+]CC2=CC=C(OCC(F)(F)F)C(OC)=C2)C(=O)[O-])=C1	REAL300018346660	0	48	0.0	-37.51	405.06	8.81	-28.70
COC1=CC=CC(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])=C1	REAL300018346661	0	47	0.0	-36.06	372.61	8.08	-27.98
COC1=CC=CC(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])=C1	REAL300018346662	0	50	0.0	-36.26	411.03	9.75	-26.51
COC1=CC=CC(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])=C1	REAL300018346663	0	50	0.0	-34.48	408.92	9.82	-24.66
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346665	0	48	0.0	-37.14	389.90	7.73	-29.41
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C(Cl)=C2)C(=O)[O-])=C1	REAL300018346666	0	41	0.0	-33.27	349.09	8.05	-25.22
COC1=CC=CC(C([NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C(=O)[O-])=C1	REAL300018346667	0	43	0.0	-35.02	381.85	9.73	-25.29
COC1=CC=CC(C([NH2+]CC2=CC(Br)=CN=C2OC)C(=O)[O-])=C1	REAL300018346669	0	40	0.0	-32.90	350.63	5.57	-27.33
COC1=CC=CC(C([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])=C1	REAL300018346670	0	40	0.0	-29.56	330.62	5.00	-24.56
COC1=CC=CC(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])=C1	REAL300018346671	0	36	0.0	-28.97	319.88	6.97	-22.00
COC1=CC=CC(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])=C1	REAL300018346673	0	42	0.0	-33.92	340.98	8.48	-25.44
COC1=CC=CC(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346674	0	44	0.0	-37.51	375.82	8.92	-28.59
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])=C1	REAL300018346675	0	43	0.0	-29.68	345.88	7.38	-22.30
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])=C1	REAL300018346676	0	46	0.0	-29.15	365.17	8.19	-20.96
COC1=CC=CC(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])=C1	REAL300018346677	0	44	0.0	-36.35	364.75	10.53	-25.82
COC1=CC=CC(C([NH2+]C2CC(C3=CC=CC(Br)=C3)C2)C(=O)[O-])=C1	REAL300018346678	0	44	0.0	-36.41	369.32	10.62	-25.79
COC1=CC=CC(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])=C1	REAL300018346679	0	44	0.0	-32.34	357.83	10.27	-22.07
COC1=CC=CC(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300018346680	0	45	0.0	-37.02	374.05	9.51	-27.51
COC1=CC=CC(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])=C1	REAL300018346681	0	48	0.0	-36.92	381.74	6.58	-30.34
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346682	0	47	0.0	-34.21	376.45	9.23	-24.98
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346683	0	46	0.0	-33.66	381.59	9.72	-23.94
COC1=CC=CC(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300018346684	1	44	0.0	-31.88	370.95	10.81	-21.07
COC1=CC=CC(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])=C1	REAL300018346685	0	44	0.0	-36.39	380.28	10.97	-25.42
COC1=CC=CC(C([NH2+]CC2=CC3=C(C)NN=C3N=C2)C(=O)[O-])=C1	REAL300018346686	0	42	0.0	-40.30	346.64	6.72	-33.58
COC1=CC=CC(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])=C1	REAL300018346687	0	51	0.0	-34.55	398.98	10.43	-24.12
COC1=CC=CC(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])=C1	REAL300018346689	0	40	0.0	-36.82	330.42	8.63	-28.19
COC1=CC=CC(C([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])=C1	REAL300018346691	0	47	0.0	-34.60	374.17	9.08	-25.52
COC1=CC=CC(C([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(=O)[O-])=C1	REAL300018346695	0	51	0.0	-32.86	417.95	11.62	-21.24
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300018346698	0	46	0.0	-36.81	364.25	10.35	-26.46
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=CC(C)=C2)C(=O)[O-])=C1	REAL300018346699	0	49	0.0	-33.95	379.25	10.95	-23.00
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346700	0	49	0.0	-37.45	396.57	11.27	-26.18
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=C(C)C=C2)C(=O)[O-])=C1	REAL300018346701	0	49	0.0	-33.82	383.16	11.01	-22.81
COC1=CC=CC(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018346702	0	52	0.0	-33.86	400.40	8.78	-25.08
COC1=CC=CC(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1	REAL300018346703	0	49	0.0	-53.85	367.76	8.45	-45.40
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=C(OCC=C(C)C)C=C2)C(=O)[O-])=C1	REAL300018346705	0	60	0.0	-36.80	460.59	12.49	-24.31
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=C1	REAL300018346708	1	44	0.0	-36.36	377.22	11.02	-25.34
COC1=CC=CC(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])=C1	REAL300018346709	0	49	0.0	-33.38	389.07	8.91	-24.47
COC1=CC=CC(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])=C1	REAL300018346710	0	41	0.0	-38.88	339.61	6.61	-32.27
COC1=CC=CC(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=C1	REAL300018346711	1	40	0.0	-38.12	348.60	9.24	-28.88
COC1=CC=CC(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1	REAL300018346713	0	51	0.0	-60.78	382.08	8.66	-52.12
COC1=CC=CC(C([NH2+]CC2=C(C)SC(C)=C2)C(=O)[O-])=C1	REAL300018346714	1	40	0.0	-30.74	332.68	8.72	-22.02
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])=C1	REAL300018346715	1	47	0.0	-34.45	394.13	11.69	-22.76
COC1=CC=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])=C1	REAL300018346716	0	41	0.0	-31.52	367.23	8.67	-22.85
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346717	0	43	0.0	-34.46	360.10	8.95	-25.51
COC1=CC=CC(C([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C(=O)[O-])=C1	REAL300018346718	0	48	0.0	-33.86	406.21	11.23	-22.63
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1OC	REAL300018346719	0	52	0.0	-37.16	417.35	8.26	-28.90
COC1=CC=CC(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])=C1	REAL300018346720	0	51	0.0	-35.50	391.79	7.02	-28.48
COC1=CC=CC(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300018346721	0	51	0.0	-54.12	370.84	7.94	-46.18
COC1=CC=CC(C([NH2+]CC2=CC=C(SC)C(OC)=C2)C(=O)[O-])=C1	REAL300018346722	0	45	0.0	-34.94	373.80	8.58	-26.36
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1OC	REAL300018346723	0	54	0.0	-34.83	424.17	9.76	-25.07
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1OC	REAL300018346724	0	52	0.0	-35.43	416.48	9.67	-25.76
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C(OCCC(C)C)=C2)C(=O)[O-])=C1	REAL300018346725	0	57	0.0	-34.57	444.72	10.42	-24.15
COC1=CC=CC(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])=C1	REAL300018346726	0	58	0.0	-34.47	425.55	4.30	-30.17
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1OC	REAL300018346727	0	51	0.0	-31.08	407.15	8.41	-22.67
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346729	0	49	0.0	-34.76	377.15	10.88	-23.88
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018346732	0	49	0.0	-36.29	400.48	11.34	-24.95
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1Cl	REAL300018346733	0	45	0.0	-33.49	385.17	9.59	-23.90
COC1=CC=CC(C([NH2+]CC2=CC(OC)=CC3=C2OC(C)C3)C(=O)[O-])=C1	REAL300018346735	0	49	0.0	-34.35	391.33	8.10	-26.25
COC1=CC=CC(C([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])=C1	REAL300018346737	0	40	0.0	-34.95	330.46	6.82	-28.13
COC1=CC=CC(C([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])=C1	REAL300018346738	0	45	0.0	-36.54	364.50	7.75	-28.79
COC1=CC=CC(C(NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])=C1	REAL300018346740	1	58	0.0	-54.81	410.56	9.98	-44.83
COC1=CC=CC(C([NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C(=O)[O-])=C1	REAL300018346741	0	52	0.0	-34.83	413.10	12.00	-22.83
COC1=CC=CC(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])=C1	REAL300018346743	0	48	0.0	-34.18	382.30	9.48	-24.70
COC1=CC=CC(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])=C1	REAL300018346746	0	40	0.0	-31.08	329.71	8.47	-22.61
COC1=CC=CC(C([NH2+]CC2=CC(OC)=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346747	0	44	0.0	-34.95	373.12	8.52	-26.43
COC1=CC=CC(C([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])=C1	REAL300018346748	0	37	0.0	-32.75	335.34	9.19	-23.56
COC1=CC=CC(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])=C1	REAL300018346749	0	46	0.0	-36.53	356.51	8.51	-28.02
COC1=CC=CC(C([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])=C1	REAL300018346752	0	50	0.0	-32.29	395.92	9.89	-22.40
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346753	0	48	0.0	-34.66	387.94	7.67	-26.99
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346754	0	46	0.0	-30.68	382.09	11.03	-19.65
COC1=CC=CC(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])=C1	REAL300018346755	0	49	0.0	-33.00	358.58	9.41	-23.59
COC1=CC=CC(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])=C1	REAL300018346756	0	41	0.0	-35.44	360.17	8.35	-27.09
COC1=CC=CC(C([NH2+]CC2=CC=C(N(C)C)C=C2C)C(=O)[O-])=C1	REAL300018346758	0	48	0.0	-30.22	367.19	9.10	-21.12
COC1=CC=CC(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])=C1	REAL300018346759	0	44	0.0	-31.65	348.50	10.08	-21.57
COC1=CC=CC(C([NH2+]C(C)CC2=CC=CC=C2C)C(=O)[O-])=C1	REAL300018346760	0	46	0.0	-34.98	354.31	9.95	-25.03
COC1=CC=CC(C([NH2+]C(C)CC2=CC=CC(C)=C2)C(=O)[O-])=C1	REAL300018346761	0	46	0.0	-31.06	360.90	10.20	-20.86
COC1=CC=CC(C([NH2+]CC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])=C1	REAL300018346762	0	44	0.0	-32.61	359.06	6.24	-26.37
COC1=CC=CC(C([NH2+]CC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])=C1	REAL300018346763	0	45	0.0	-33.36	371.23	7.77	-25.59
COC1=CC=CC(C([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])=C1	REAL300018346765	0	50	0.0	-34.29	397.87	9.95	-24.34
COC1=CC=CC(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300018346766	0	43	0.0	-32.47	351.41	10.40	-22.07
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1OC	REAL300018346767	0	49	0.0	-34.50	417.04	9.56	-24.94
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C(CN3C=CC=N3)=C2)C(=O)[O-])=C1	REAL300018346768	0	51	0.0	-38.30	415.79	9.18	-29.12
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=C1	REAL300018346769	0	48	0.0	-34.32	380.87	9.41	-24.91
COC1=CC=CC(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])=C1	REAL300018346771	1	36	0.0	-33.04	313.36	6.98	-26.06
COC1=CC=CC(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])=C1	REAL300018346772	0	36	0.0	-33.84	311.44	6.92	-26.92
COC1=CC=CC(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])=C1	REAL300018346773	0	37	0.0	-33.81	332.60	8.91	-24.90
COC1=CC=CC(C([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])=C1	REAL300018346774	0	43	0.0	-29.56	349.65	10.32	-19.24
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=N1	REAL300018346775	0	41	0.0	-34.98	335.92	6.76	-28.22
COC1=CC=CC(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])=C1	REAL300018346776	0	44	0.0	-33.65	363.24	9.43	-24.22
COC1=CC=CC(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])=C1	REAL300018346777	0	42	0.0	-36.58	345.89	8.70	-27.88
COC1=CC=CC(C([NH2+]CC2=CC(C)=C(Br)S2)C(=O)[O-])=C1	REAL300018346778	1	37	0.0	-33.97	336.38	8.67	-25.30
COC1=CC=CC(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])=C1	REAL300018346781	0	45	0.0	-46.06	358.50	4.04	-42.02
COC1=CC(C([NH2+]CC2=CC(OC)=CC(F)=C2)C(=O)[O-])=CC=C1	REAL300018346782	0	41	0.0	-33.33	338.88	7.54	-25.79
COC1=CC=CC(C([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])=C1	REAL300018346783	0	41	0.0	-33.79	325.31	6.65	-27.14
COC1=CC=CC(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300018346784	0	47	0.0	-35.18	376.51	8.19	-26.99
COC1=CC=CC(C([NH2+]C2CCN(C3=CC=CC=C3OC)CC2)C(=O)[O-])=C1	REAL300018346785	0	53	0.0	-34.19	405.67	8.14	-26.05
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])=C1	REAL300018346786	0	40	0.0	-31.59	335.45	9.24	-22.35
COC1=CC=CC(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300018346787	0	39	0.0	-39.76	345.55	9.27	-30.49
COC1=CC=CC(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018346788	0	40	0.0	-36.34	341.83	9.49	-26.85
COC1=CC=CC(C([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])=C1	REAL300018346789	0	50	0.0	-35.44	408.86	10.07	-25.37
COC1=CC=CC(C([NH2+]C(C)CC2=CC=C(F)C=C2Br)C(=O)[O-])=C1	REAL300018346790	0	43	0.0	-29.25	352.26	10.46	-18.79
COC1=CC=CC(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018346792	0	42	0.0	-33.40	361.37	9.27	-24.13
COC1=CC=CC(C([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018346793	0	42	0.0	-29.06	354.66	9.03	-20.03
COC1=CC=CC(C([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])=C1	REAL300018346794	0	42	0.0	-40.30	357.09	6.82	-33.48
COC1=CC=CC(C([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])=C1	REAL300018346795	1	39	0.0	-38.65	343.71	9.36	-29.29
COC1=CC=CC(C([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])=C1	REAL300018346799	0	47	0.0	-32.87	353.76	7.33	-25.54
COC1=CC=CC(C([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])=C1	REAL300018346800	0	47	0.0	-31.55	366.29	10.69	-20.86
COC1=CC=CC(C([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])=C1	REAL300018346801	0	56	0.0	-29.85	394.09	11.41	-18.44
COC1=CC=CC(C([NH2+]C(C)CC(C)CC(C)C)C(=O)[O-])=C1	REAL300018346802	0	51	0.0	-33.08	374.69	9.53	-23.55
COC1=CC=CC(C([NH2+]CC(C)C2=CC=C(C)C=C2)C(=O)[O-])=C1	REAL300018346803	0	46	0.0	-34.87	362.30	10.20	-24.67
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C(C(C)(C)C)=C2)C(=O)[O-])=C1	REAL300018346804	0	53	0.0	-32.27	405.56	10.21	-22.06
COC1=CC=CC(C([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300018346806	0	50	0.0	-34.71	385.29	9.37	-25.34
COC1=CC=CC(C([NH2+]CC(C)C2CCCCC2)C(=O)[O-])=C1	REAL300018346807	0	49	0.0	-33.16	360.76	9.66	-23.50
COC1=CC=CC(C([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])=C1	REAL300018346808	0	42	0.0	-40.95	359.12	3.19	-37.76
COC1=CC=CC(C([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])=C1	REAL300018346809	0	44	0.0	-33.58	355.85	10.16	-23.42
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C(C)=C1	REAL300018346810	0	47	0.0	-31.07	369.13	9.01	-22.06
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C=C2OC)C(=O)[O-])=C1	REAL300018346811	0	44	0.0	-32.58	354.45	8.25	-24.33
COC1=CC=CC(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])=C1	REAL300018346812	0	39	0.0	-31.42	344.62	7.26	-24.16
COC1=CC=CC(C([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])=C1	REAL300018346813	0	47	0.0	-34.92	371.19	10.59	-24.33
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346814	1	41	0.0	-31.79	349.11	7.03	-24.76
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018346815	1	43	0.0	-29.25	358.68	9.66	-19.59
COC1=CC=CC(C([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])=C1	REAL300018346817	0	42	0.0	-40.12	337.35	9.17	-30.95
COC1=CC=CC(C([NH2+]CC2=CC=C(Br)C(C)=C2)C(=O)[O-])=C1	REAL300018346818	0	40	0.0	-32.88	343.06	9.38	-23.50
COC1=CC=CC(C([NH2+]CC2=CC=C(Cl)C(OC)=C2)C(=O)[O-])=C1	REAL300018346819	0	41	0.0	-35.00	350.42	8.08	-26.92
COC1=CC=CC(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])=C1	REAL300018346820	0	40	0.0	-29.63	330.30	8.49	-21.14
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346823	0	43	0.0	-32.89	348.79	7.35	-25.54
COC1=CC=CC(C([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])=C1	REAL300018346826	0	41	0.0	-35.76	342.34	9.75	-26.01
COC1=CC=CC(C([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])=C1	REAL300018346828	0	40	0.0	-33.08	346.52	9.11	-23.97
COC1=CC=CC(C([NH2+]CC2=CN=C3C(C)=CC=CN23)C(=O)[O-])=C1	REAL300018346829	0	43	0.0	-33.01	351.25	9.20	-23.81
COC1=CC=CC(C([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])=C1	REAL300018346830	0	37	0.0	-35.65	319.92	7.06	-28.59
COC1=CC=CC(C([NH2+]CC2=CN=C(Br)N2C)C(=O)[O-])=C1	REAL300018346831	0	37	0.0	-35.67	324.22	7.09	-28.58
COC1=CC=CC(C([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018346833	0	37	0.0	-37.11	325.95	5.56	-31.55
COC1=CC=CC(C([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])=C1	REAL300018346834	0	41	0.0	-33.65	343.29	8.25	-25.40
COC1=CC=CC(C([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])=C1	REAL300018346835	0	41	0.0	-34.69	341.25	8.18	-26.51
COC1=CC=CC(C([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])=C1	REAL300018346837	0	40	0.0	-31.91	328.75	9.12	-22.79
COC1=CC=CC(C([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])=C1	REAL300018346838	1	39	0.0	-36.66	337.01	7.97	-28.69
COC1=CC=CC(C([NH2+]CC2=CN=C3C=CC=C(C)N23)C(=O)[O-])=C1	REAL300018346839	0	43	0.0	-34.83	342.72	9.10	-25.73
COC1=CC=CC(C([NH2+]C(C)CCC2=NNC3=CC=CC=C32)C(=O)[O-])=C1	REAL300018346840	0	49	0.0	-34.25	388.83	8.94	-25.31
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346841	0	49	0.0	-32.09	375.16	10.15	-21.94
COC1=CC=CC(C([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018346842	0	40	0.0	-31.47	343.03	9.40	-22.07
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346843	0	44	0.0	-33.84	359.94	7.96	-25.88
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346844	0	49	0.0	-26.30	358.27	7.46	-18.84
COC1=CC=CC(C([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])=C1	REAL300018346845	0	42	0.0	-42.05	350.99	8.64	-33.41
COC1=CC=CC(C([NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])=C1	REAL300018346846	0	45	0.0	-37.20	366.13	9.42	-27.78
COC1=CC=CC(C([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])=C1	REAL300018346847	0	49	0.0	-33.34	359.57	9.31	-24.03
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1C	REAL300018346848	0	50	0.0	-32.78	397.81	10.00	-22.78
COC1=CC=CC(C([NH2+]CC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])=C1	REAL300018346850	0	47	0.0	-29.26	376.87	9.79	-19.47
COC1=CC=CC(C([NH2+]CC2=C3N=CC(Br)=CN3N=C2)C(=O)[O-])=C1	REAL300018346852	0	39	0.0	-35.48	347.48	7.74	-27.74
COC1=CC=CC(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])=C1	REAL300018346854	0	39	0.0	-30.66	319.53	6.33	-24.33
COC1=CC=CC(C([NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=C1	REAL300018346855	0	55	0.0	-33.18	413.97	9.40	-23.78
COC1=CC=CC(C(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=C1	REAL300018346855	1	55	0.0	-58.69	407.29	10.11	-48.58
COC1=CC=CC(C(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=C1	REAL300018346855	1	55	0.0	-59.52	408.06	10.09	-49.43
COC1=CC=CC(C([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])=C1	REAL300018346856	0	40	0.0	-33.62	337.12	9.10	-24.52
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])=C1	REAL300018346858	0	44	0.0	-30.46	347.90	10.03	-20.43
COC1=CC=CC(C([NH2+]CC2=CN=C3C=CC(Br)=CN23)C(=O)[O-])=C1	REAL300018346861	0	40	0.0	-32.89	351.09	9.21	-23.68
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346863	0	55	0.0	-33.85	439.70	13.00	-20.85
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1F	REAL300018346864	0	51	0.0	-36.18	404.06	9.37	-26.81
COC1=CC=CC(C([NH2+]CC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])=C1	REAL300018346865	0	49	0.0	-30.37	397.32	8.30	-22.07
COC1=CC=CC(C([NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)C(=O)[O-])=C1	REAL300018346866	0	57	0.0	-35.04	422.47	8.88	-26.16
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300018346867	0	48	0.0	-42.61	379.97	10.67	-31.94
COC1=CC=CC(C([NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018346868	0	53	0.0	-29.73	380.47	11.58	-18.15
COC1=CC=CC(C([NH2+]CC2=CC3=CC=CC=C3C(OC)=C2)C(=O)[O-])=C1	REAL300018346871	0	47	0.0	-33.53	378.05	9.80	-23.73
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346872	0	43	0.0	-34.84	351.17	6.63	-28.21
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346873	0	44	0.0	-33.75	362.67	8.52	-25.23
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346874	0	47	0.0	-36.33	369.08	8.77	-27.56
COC1=CC=CC(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300018346876	1	46	0.0	-48.93	338.89	7.81	-41.12
COC1=CC=CC(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300018346876	1	46	0.0	-51.28	342.36	7.96	-43.32
COC1=CC=CC(C([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])=C1	REAL300018346877	0	53	0.0	-33.07	371.58	10.06	-23.01
COC1=CC=CC(C([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300018346878	0	46	0.0	-34.43	355.32	9.88	-24.55
COC1=CC=CC(C([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])=C1	REAL300018346879	0	45	0.0	-35.54	357.82	9.25	-26.29
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C(OC)C=CC=C23)C(=O)[O-])=C1	REAL300018346880	0	47	0.0	-32.87	368.85	9.57	-23.30
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])=C1	REAL300018346882	0	45	0.0	-37.58	351.92	8.48	-29.10
COC1=CC=CC(C([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])=C1	REAL300018346883	0	46	0.0	-31.77	365.11	10.15	-21.62
COC1=CC=CC(C([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])=C1	REAL300018346885	0	48	0.0	-36.06	381.40	11.16	-24.90
COC1=CC=CC(C([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])=C1	REAL300018346886	0	51	0.0	-35.17	363.79	7.72	-27.45
COC1=CC=CC(C([NH2+]CC2=CN=CC(OC)=C2C)C(=O)[O-])=C1	REAL300018346887	0	43	0.0	-32.96	343.39	6.39	-26.57
COC1=CC=CC(C([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])=C1	REAL300018346888	0	40	0.0	-40.03	346.57	9.48	-30.55
COC1=CC=CC(C([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300018346890	0	37	0.0	-35.92	335.74	8.54	-27.38
COC1=CC=CC(C([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])=C1	REAL300018346891	0	44	0.0	-33.09	356.42	8.78	-24.31
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018346892	0	47	0.0	-30.28	355.25	7.69	-22.59
COC1=CC=CC(C([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018346893	0	37	0.0	-32.80	334.19	8.34	-24.46
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C(C)=C1	REAL300018346894	0	50	0.0	-31.56	389.20	9.77	-21.79
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C(OC3CC3)=C2)C(=O)[O-])=C1	REAL300018346895	0	49	0.0	-35.60	393.36	9.07	-26.53
COC1=CC=CC(C([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])=C1	REAL300018346896	0	50	0.0	-32.99	360.29	9.71	-23.28
COC1=CC=CC(C([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])=C1	REAL300018346897	0	39	0.0	-36.35	334.32	7.31	-29.04
COC1=CC=CC(C([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])=C1	REAL300018346898	0	47	0.0	-32.23	355.38	10.21	-22.02
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018346900	0	49	0.0	-32.81	351.20	8.94	-23.87
COC1=CC=CC(C([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300018346901	0	47	0.0	-36.96	355.10	10.19	-26.77
COC1=CC=CC(C([NH2+]CC2=CN(C)N=C2C(F)F)C(=O)[O-])=C1	REAL300018346902	0	40	0.0	-38.20	337.01	6.92	-31.28
COC1=CC=CC(C([NH2+]C(C)C2CCCCCC2)C(=O)[O-])=C1	REAL300018346903	0	49	0.0	-30.74	345.00	9.26	-21.48
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018346905	0	52	0.0	-32.77	365.60	9.45	-23.32
COC1=CC=CC(C([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])=C1	REAL300018346906	0	45	0.0	-31.19	350.37	8.15	-23.04
COC1=CC=CC(C([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300018346907	0	44	0.0	-36.82	360.49	10.41	-26.41
COC1=CC=CC(C([NH2+]C(C)CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018346908	0	46	0.0	-38.10	366.07	9.89	-28.21
COC1=CC=CC(C([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018346909	0	42	0.0	-42.53	357.75	3.15	-39.38
COC1=CC=CC(C([NH2+]CC2=CC3=CC=C(C)C=C3N2)C(=O)[O-])=C1	REAL300018346911	0	44	0.0	-33.66	356.83	8.80	-24.86
COC1=CC=CC(C([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])=C1	REAL300018346912	0	41	0.0	-33.48	330.05	6.80	-26.68
COC1=CC=CC(C([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018346915	0	53	0.0	-32.09	392.54	11.44	-20.65
COC1=CC=CC(C([NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C(=O)[O-])=C1	REAL300018346917	0	53	0.0	-33.92	421.90	12.97	-20.95
COC1=CC=CC(C([NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(=O)[O-])=C1	REAL300018346918	0	46	0.0	-40.88	373.81	11.68	-29.20
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018346919	0	49	0.0	-34.29	353.61	9.27	-25.02
COC1=CC=CC(C([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])=C1	REAL300018346920	0	49	0.0	-32.95	342.86	8.72	-24.23
COC1=CC=CC(C([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300018346921	0	55	0.0	-34.04	384.08	10.08	-23.96
COC1=CC=CC(C([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])=C1	REAL300018346923	0	44	0.0	-36.94	369.25	8.78	-28.16
COC1=CC=CC(C([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])=C1	REAL300018346924	0	44	0.0	-34.99	368.82	6.52	-28.47
COC1=CC=CC(C([NH2+]CC2=CC=C(OC)C=C2Br)C(=O)[O-])=C1	REAL300018346925	0	41	0.0	-32.87	345.48	7.92	-24.95
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018346926	0	44	0.0	-34.32	359.97	7.95	-26.37
COC1=CC=CC(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C(=O)[O-])=C1	REAL300018346927	0	47	0.0	-36.21	400.05	10.54	-25.67
COC1=CC=CC(C([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300018346929	0	48	0.0	-35.20	405.48	12.33	-22.87
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346930	0	54	0.0	-42.11	409.68	9.03	-33.08
COC1=CC=CC(C([NH2+]CC2=CC(OC)=C(OC)C=C2C)C(=O)[O-])=C1	REAL300018346931	0	48	0.0	-34.70	378.42	8.03	-26.67
COC1=CC=CC(C([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])=C1	REAL300018346932	0	44	0.0	-30.39	344.10	10.12	-20.27
COC1=CC=CC(C([NH2+]CC2=CC(Br)=C(C)S2)C(=O)[O-])=C1	REAL300018346933	1	37	0.0	-30.99	335.55	8.67	-22.32
COC1=CC=CC(C([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300018346934	0	40	0.0	-40.97	336.34	9.05	-31.92
COC1=CC=CC(C([NH2+]CCC2=CC(C)=CC(C)=C2)C(=O)[O-])=C1	REAL300018346935	0	46	0.0	-36.47	369.21	10.33	-26.14
COC1=CC=CC(C([NH2+]C(C)CC2=CC=C(OC)C(OC)=C2C)C(=O)[O-])=C1	REAL300018346936	0	54	0.0	-40.06	412.87	9.20	-30.86
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(OC)=C3)C=N2)C=C1	REAL300018346937	0	48	0.0	-39.02	393.22	8.74	-30.28
COC1=CC=CC(C([NH2+]C(C)CCC2=CSC=C2)C(=O)[O-])=C1	REAL300018346938	0	43	0.0	-33.22	349.81	9.22	-24.00
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018346939	0	54	0.0	-31.29	426.51	8.96	-22.33
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346940	0	46	0.0	-37.73	373.54	10.53	-27.20
COC1=CC=CC(C([NH2+]CC2=CN(C3=CC=CC=C3Cl)N=C2C)C(=O)[O-])=C1	REAL300018346941	0	47	0.0	-37.91	395.44	10.71	-27.20
COC1=CC=CC(C([NH2+]CC2=CC=C(N(C)CC3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300018346942	0	52	0.0	-32.48	424.77	11.58	-20.90
COC1=CC=CC(C([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=C1	REAL300018346943	0	50	0.0	-33.08	391.20	11.76	-21.32
COC1=CC=CC(C([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])=C1	REAL300018346944	0	43	0.0	-34.78	359.14	6.40	-28.38
COC1=CC=CC(C([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])=C1	REAL300018346945	0	43	0.0	-41.95	342.88	7.27	-34.68
COC1=CC=CC(C([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])=C1	REAL300018346946	0	42	0.0	-37.81	347.88	7.33	-30.48
COC1=CC=CC(C([NH2+]C(C)CCC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300018346947	0	46	0.0	-37.34	369.12	10.37	-26.97
COC1=CC=CC(C([NH2+]CC2=CC=C(Br)C=C2SC)C(=O)[O-])=C1	REAL300018346948	0	41	0.0	-31.48	357.77	9.65	-21.83
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346949	0	49	0.0	-39.51	390.98	10.91	-28.60
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018346950	0	51	0.0	-30.52	375.89	7.28	-23.24
COC1=CC=CC(C([NH2+]CCCC2=CN(C)N=C2)C(=O)[O-])=C1	REAL300018346951	0	43	0.0	-37.24	348.78	7.51	-29.73
COC1=CC=CC(C([NH2+]CC2=CN=C(N3CCN(C)CC3)N=C2)C(=O)[O-])=C1	REAL300018346952	0	52	0.0	-36.21	406.95	6.48	-29.73
COC1=CC=CC(C([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C(=O)[O-])=C1	REAL300018346953	0	48	0.0	-36.03	393.62	11.68	-24.35
COC1=CC=CC(C([NH2+]C2CCC3COCCC3C2)C(=O)[O-])=C1	REAL300018346958	0	48	0.0	-30.97	348.06	7.69	-23.28
COC1=CC=CC(C([NH2+]C2CC3(C2)COC(C)(C)C3)C(=O)[O-])=C1	REAL300018346959	0	48	0.0	-36.63	367.93	7.75	-28.88
COC1=CC=CC(C([NH2+]C2CC3(C2)COC(C)C3)C(=O)[O-])=C1	REAL300018346960	0	45	0.0	-37.60	341.06	6.83	-30.77
COC1=CC=CC(C([NH2+]C2CCOC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300018346961	0	45	0.0	-34.97	348.89	8.46	-26.51
COC1=CC=CC(C([NH2+]C2CCCC3=C(C=CS3)C2)C(=O)[O-])=C1	REAL300018346962	0	44	0.0	-37.61	348.88	9.42	-28.19
COC1=CC=CC(C([NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])=C1	REAL300018346963	0	43	0.0	-34.11	341.98	9.45	-24.66
COC1=CC=CC(C([NH2+]CC2=CC(OC)=CC=C2C)C(=O)[O-])=C1	REAL300018346964	0	44	0.0	-29.81	344.19	7.98	-21.83
COC1=CC=CC(C([NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])=C1	REAL300018346967	0	40	0.0	-31.98	332.71	8.97	-23.01
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])=C1	REAL300018346968	0	46	0.0	-29.97	352.52	9.89	-20.08
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC(OC)=CC=C3)=CC2=C1	REAL300018346970	1	44	0.0	-34.54	370.51	9.02	-25.52
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(OC)=C3)=CC=C21	REAL300018346972	0	49	0.0	-32.77	377.36	8.37	-24.40
COC1=CC=CC(C([NH2+]C2CCC3(COC(C)(C)C3)CC2)C(=O)[O-])=C1	REAL300018346973	0	54	0.0	-34.80	392.16	8.55	-26.25
COC1=CC=CC(C([NH2+]CC2=CC=C(SC)C(Cl)=C2)C(=O)[O-])=C1	REAL300018346974	0	41	0.0	-33.35	360.11	9.70	-23.65
COC1=CC=CC(C([NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])=C1	REAL300018346975	0	47	0.0	-31.70	370.59	10.82	-20.88
COC1=CC=CC(C([NH2+]C2CCCC3=C(C=CC=C3OC)C2)C(=O)[O-])=C1	REAL300018346976	0	51	0.0	-38.40	383.21	9.58	-28.82
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(OC)=C2)=CC=N1	REAL300018346977	0	43	0.0	-36.48	352.51	5.84	-30.64
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])=C1	REAL300018346978	0	47	0.0	-31.23	371.94	10.85	-20.38
COC1=CC=CC(C([NH2+]CC2=CC=C(N3C=CC(C)=N3)C=C2C)C(=O)[O-])=C1	REAL300018346979	0	50	0.0	-37.34	395.00	10.46	-26.88
COC1=CC=CC(C([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018346980	0	43	0.0	-34.19	374.16	10.05	-24.14
COC1=CC=CC(C([NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C(=O)[O-])=C1	REAL300018346981	0	47	0.0	-35.93	390.20	10.38	-25.55
COC1=CC=CC(C([NH2+]CC2=CC=C(N3C=C(Cl)C(C)=N3)C=C2)C(=O)[O-])=C1	REAL300018346982	0	47	0.0	-36.08	401.80	10.51	-25.57
COC1=CC=CC(C([NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(=O)[O-])=C1	REAL300018346985	0	48	0.0	-34.15	376.99	9.30	-24.85
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C(=O)[O-])=C1	REAL300018346986	0	44	0.0	-36.23	362.89	8.52	-27.71
COC1=CC=CC(C([NH2+]CC2=CC(C(C)C)=CC=C2O)C(=O)[O-])=C1	REAL300018346987	0	47	0.0	-31.86	371.47	7.51	-24.35
COC1=CC=CC(C([NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018346988	0	40	0.0	-35.21	342.38	6.18	-29.03
COC1=CC=CC(C([NH2+]C2CCC3(CCC3)CC2)C(=O)[O-])=C1	REAL300018346989	0	47	0.0	-30.84	347.42	9.23	-21.61
COC1=CC=CC(C([NH2+]CC2=CC=C(C)C(O)=C2)C(=O)[O-])=C1	REAL300018346990	0	41	0.0	-34.08	334.66	6.10	-27.98
COC1=CC=CC(C([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])=C1	REAL300018346993	0	42	0.0	-35.74	339.43	8.04	-27.70
COC1=CC=CC(C([NH2+]CC2=CC=C3COCCC3=C2)C(=O)[O-])=C1	REAL300018346995	0	45	0.0	-33.33	357.30	8.28	-25.05
COC1=CC=CC(C([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=C1	REAL300018346996	0	45	0.0	-37.00	367.86	8.05	-28.95
COC1=CC=CC(C([NH2+]C2CC(COCC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018346997	0	51	0.0	-38.54	401.22	9.94	-28.60
COC1=CC=CC(C([NH2+]CC2=CC=CC(SC)=C2)C(=O)[O-])=C1	REAL300018346998	0	41	0.0	-34.54	343.79	9.21	-25.33
COC1=CC=CC(C([NH2+]C2CCC3=CC(Cl)=CC=C3C2)C(=O)[O-])=C1	REAL300018346999	0	44	0.0	-36.47	358.79	10.27	-26.20
COC1=CC=CC(C([NH2+]C2CC(C3=CC=CC=C3Br)C2)C(=O)[O-])=C1	REAL300018347000	0	44	0.0	-32.23	361.83	10.36	-21.87
COCC1=CC(NCC2=CC=C(N3CCCC3)[NH+]=C2)=CC(C(=O)[O-])=C1	REAL300018348603	1	48	0.0	-66.47	385.01	7.40	-59.07
COCC1=CC(NCC2=CC=C(N3CC[NH+](C)CC3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348615	0	54	0.0	-82.89	420.72	8.45	-74.44
COCC1=CC(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018348619	0	52	0.0	-74.40	421.64	10.89	-63.51
COCC1=CC(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)=CC(C(=O)[O-])=C1	REAL300018348620	0	52	0.0	-66.77	418.62	10.87	-55.90
COCC1=CC(NC2CC[NH+](CC3=CC=CC=N3)CC2)=CC(C(=O)[O-])=C1	REAL300018348621	0	51	0.0	-69.61	400.53	8.53	-61.08
COCC1=CC(NCC2=CC=CC=C2N(C)C2CC[NH+](C)CC2)=CC(C(=O)[O-])=C1	REAL300018348626	0	60	0.0	-68.88	459.09	10.13	-58.75
COCC1=CC(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)=CC(C(=O)[O-])=C1	REAL300018348628	0	56	0.0	-78.92	440.38	10.33	-68.59
COCC1=CC(NCC2=CC=C(OCC[NH+](C)C)C=C2)=CC(C(=O)[O-])=C1	REAL300018348637	0	52	0.0	-80.21	416.83	9.05	-71.16
COCC1=CC(NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018348683	0	52	0.0	-70.97	405.08	10.33	-60.64
COCC1=CC(NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)=CC(C(=O)[O-])=C1	REAL300018348683	1	52	0.0	-71.46	405.80	10.45	-61.01
COCC1=CC(NC2CC[NH+](CC3CC3)CC2)=CC(C(=O)[O-])=C1	REAL300018348685	0	49	0.0	-70.86	377.50	9.00	-61.86
COCC1=CC(NC2CC[NH+](CC(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018348696	0	51	0.0	-70.05	384.79	8.88	-61.17
COCC1=CC(NC2CC[NH+](CC3=CC=NC=C3)CC2)=CC(C(=O)[O-])=C1	REAL300018348704	0	51	0.0	-79.38	399.59	8.55	-70.83
COCC1=CC(NC2CC[NH+](C(C)(C)C)CC2)=CC(C(=O)[O-])=C1	REAL300018348705	0	51	0.0	-67.24	375.24	8.20	-59.04
COCC1=CC(NC2CC[NH+](CCN3CCOCC3)CC2)=CC(C(=O)[O-])=C1	REAL300018348711	0	58	0.0	-75.06	434.32	5.90	-69.16
COCC1=CC(NC2CC[NH+](C3CCCCC3C)CC2)=CC(C(=O)[O-])=C1	REAL300018348731	0	58	0.0	-67.95	414.85	10.30	-57.65
COCC1=CC(NCC(C)(C)[NH+]2CCOCC2)=CC(C(=O)[O-])=C1	REAL300018348768	0	49	0.0	-69.82	363.84	6.17	-63.65
COCC1=CC(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)=CC(C(=O)[O-])=C1	REAL300018348867	0	55	0.0	-74.86	417.88	11.09	-63.77
COCC1=CC(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)=CC(C(=O)[O-])=C1	REAL300018348867	1	55	0.0	-75.28	417.85	11.09	-64.19
COCC1=CC(NC2CC[N@@H+]3CCCC3C2)=CC(C(=O)[O-])=C1	REAL300018348899	0	46	0.0	-68.12	351.21	7.86	-60.26
COCC1=CC(NC2CC[N@H+]3CCCC3C2)=CC(C(=O)[O-])=C1	REAL300018348899	1	46	0.0	-71.83	348.05	8.06	-63.77
COCC1=CC(NC2C[N@H+](CC3=CC=CC=C3)CC2C)=CC(C(=O)[O-])=C1	REAL300018348903	0	52	0.0	-74.69	405.99	10.59	-64.10
COCC1=CC(NC2C[N@@H+](CC3=CC=CC=C3)CC2C)=CC(C(=O)[O-])=C1	REAL300018348903	1	52	0.0	-74.23	405.31	10.66	-63.57
COCC1=CC(NCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348985	0	57	0.0	-73.79	426.81	11.25	-62.54
COCC1=CC(NCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)=CC(C(=O)[O-])=C1	REAL300018348985	1	57	0.0	-73.56	429.78	11.37	-62.19
COCC1=CC(NCC2=CN=C(N3CC[NH+](C)CC3)N=C2)=CC(C(=O)[O-])=C1	REAL300018348990	1	52	0.0	-80.29	414.86	8.01	-72.28
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])=C1	REAL300018351488	0	40	0.0	-32.12	331.62	8.94	-23.18
COC1=CC=CC([C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])=C1	REAL300018351490	0	52	0.0	-33.20	374.13	9.51	-23.69
COC1=CC=CC([C@H]([NH2+]C2CCC3=CC(Br)=CC=C3C2)C(=O)[O-])=C1	REAL300018351491	0	44	0.0	-36.65	363.08	10.37	-26.28
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018351492	0	50	0.0	-35.77	389.02	10.32	-25.45
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])=C1	REAL300018351493	0	45	0.0	-30.21	379.53	8.01	-22.20
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300018351494	1	44	0.0	-33.25	372.27	10.85	-22.40
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])=C1	REAL300018351495	1	40	0.0	-34.23	340.96	9.73	-24.50
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])=C1	REAL300018351496	0	47	0.0	-33.19	372.26	9.02	-24.17
CCCCCCCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351497	0	59	0.0	-32.30	461.83	12.32	-19.98
COC1=CC=CC([C@H]([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])=C1	REAL300018351498	0	58	0.0	-33.05	437.82	12.58	-20.47
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])=C1	REAL300018351499	0	40	0.0	-34.02	331.62	8.93	-25.09
COC1=CC=CC([C@H]([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])=C1	REAL300018351500	0	41	0.0	-32.31	336.25	8.23	-24.08
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])=C1	REAL300018351502	0	49	0.0	-31.69	386.07	10.92	-20.77
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C(=O)[O-])=C1	REAL300018351503	0	50	0.0	-34.20	400.52	12.31	-21.89
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=CC=C2Br)C(=O)[O-])=C1	REAL300018351504	0	41	0.0	-29.73	344.15	7.94	-21.79
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])=C1	REAL300018351505	0	43	0.0	-38.89	358.50	8.91	-29.98
COC1=CC=CC([C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018351506	0	37	0.0	-32.69	336.42	9.18	-23.51
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])=C1	REAL300018351507	0	50	0.0	-34.45	401.01	12.31	-22.14
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])=C1	REAL300018351508	0	41	0.0	-34.38	344.16	7.81	-26.57
CCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1OCC	REAL300018351509	0	51	0.0	-35.84	406.03	9.24	-26.60
COC1=CC=CC([C@H]([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])=C1	REAL300018351510	0	49	0.0	-29.63	352.51	9.52	-20.11
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351511	0	40	0.0	-37.99	354.87	9.58	-28.41
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])=C1	REAL300018351512	0	37	0.0	-27.25	325.65	8.78	-18.47
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])=C1	REAL300018351513	0	40	0.0	-39.62	344.50	7.33	-32.29
COC1=CC=CC([C@H]([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018351514	0	42	0.0	-33.69	341.33	8.48	-25.21
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351515	0	41	0.0	-32.08	348.98	7.97	-24.11
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])=C1	REAL300018351516	0	43	0.0	-40.43	363.68	5.70	-34.73
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C(=O)[O-])=C1	REAL300018351517	0	51	0.0	-35.11	413.13	11.30	-23.81
COC1=CC=CC([C@H]([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018351518	0	50	0.0	-33.29	395.60	9.61	-23.68
COC1=CC=CC([C@H]([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=C1	REAL300018351519	0	44	0.0	-35.50	363.71	10.43	-25.07
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])=C1	REAL300018351520	0	47	0.0	-33.86	393.92	12.11	-21.75
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])=C1	REAL300018351521	0	47	0.0	-34.34	395.84	12.16	-22.18
CCC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018351522	1	40	0.0	-31.83	336.56	8.86	-22.97
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])=C1	REAL300018351524	0	42	0.0	-33.59	338.85	8.00	-25.59
COC1=CC=CC([C@H]([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])=C1	REAL300018351525	0	34	0.0	-33.64	314.62	7.85	-25.79
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])=C1	REAL300018351526	0	48	0.0	-35.35	378.83	8.14	-27.21
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018351527	0	45	0.0	-43.78	382.16	4.86	-38.92
COC1=CC=CC([C@H]([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])=C1	REAL300018351528	0	41	0.0	-31.14	334.75	8.22	-22.92
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])=C1	REAL300018351529	0	41	0.0	-34.19	334.32	8.20	-25.99
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])=C1	REAL300018351530	0	40	0.0	-31.13	329.84	8.65	-22.48
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])=C1	REAL300018351531	0	40	0.0	-30.53	344.43	7.32	-23.21
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])=C1	REAL300018351532	0	51	0.0	-32.41	393.56	9.99	-22.42
COC1=CC=CC([C@H]([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300018351533	0	52	0.0	-32.76	381.00	11.12	-21.64
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=C1	REAL300018351534	0	46	0.0	-34.64	374.13	9.87	-24.77
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])=C1	REAL300018351535	0	46	0.0	-35.05	372.40	9.83	-25.22
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])=C1	REAL300018351536	1	54	0.0	-32.53	412.20	6.88	-25.65
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])=C1	REAL300018351537	0	46	0.0	-36.26	384.39	6.67	-29.59
COC1=CC=CC([C@H]([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])=C1	REAL300018351538	0	47	0.0	-38.22	363.97	6.03	-32.19
COC1=CC=CC([C@H]([NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C(=O)[O-])=C1	REAL300018351539	0	52	0.0	-33.62	412.25	9.25	-24.37
COC1=CC=CC([C@H]([NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C(=O)[O-])=C1	REAL300018351540	0	52	0.0	-32.17	410.81	9.04	-23.13
COC1=CC=CC([C@H]([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])=C1	REAL300018351541	0	51	0.0	-35.46	390.74	7.12	-28.34
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])=C1	REAL300018351542	0	44	0.0	-35.45	370.13	9.51	-25.94
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])=C1	REAL300018351543	0	44	0.0	-34.49	378.52	9.90	-24.59
COC1=CC=CC([C@H]([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300018351544	0	46	0.0	-32.33	365.72	7.99	-24.34
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018351545	0	44	0.0	-34.65	373.91	8.86	-25.79
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])=C1	REAL300018351547	1	44	0.0	-35.34	387.55	11.46	-23.88
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C(OC)=C2)C(=O)[O-])=C1	REAL300018351548	0	48	0.0	-39.57	405.08	8.81	-30.76
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])=C1	REAL300018351549	0	47	0.0	-36.05	373.92	8.11	-27.94
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])=C1	REAL300018351550	0	50	0.0	-36.27	411.05	9.74	-26.53
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])=C1	REAL300018351551	0	50	0.0	-33.94	407.00	9.76	-24.18
COCCOC1=CC=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351553	0	48	0.0	-32.97	387.96	7.67	-25.30
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(Cl)=C2)C(=O)[O-])=C1	REAL300018351554	0	41	0.0	-33.04	348.51	8.02	-25.02
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C(=O)[O-])=C1	REAL300018351555	0	43	0.0	-34.98	381.87	9.73	-25.25
COC1=CC=CC([C@H]([NH2+]CC2=CC(Br)=CN=C2OC)C(=O)[O-])=C1	REAL300018351557	0	40	0.0	-29.07	350.67	5.56	-23.51
COC1=CC=CC([C@H]([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])=C1	REAL300018351558	0	40	0.0	-29.04	328.75	4.94	-24.10
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])=C1	REAL300018351559	0	36	0.0	-36.09	319.86	6.97	-29.12
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])=C1	REAL300018351561	0	42	0.0	-33.42	339.04	8.42	-25.00
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351562	0	44	0.0	-33.87	375.83	8.92	-24.95
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])=C1	REAL300018351563	0	43	0.0	-30.24	347.81	7.45	-22.79
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])=C1	REAL300018351564	0	46	0.0	-31.40	364.75	8.25	-23.15
COC1=CC=CC([C@H]([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])=C1	REAL300018351565	0	44	0.0	-35.16	360.72	10.32	-24.84
COC1=CC=CC([C@H]([NH2+]C2CC(C3=CC=CC(Br)=C3)C2)C(=O)[O-])=C1	REAL300018351566	0	44	0.0	-35.13	365.29	10.42	-24.71
COC1=CC=CC([C@H]([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])=C1	REAL300018351567	0	44	0.0	-31.71	359.86	10.34	-21.37
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])=C1	REAL300018351568	0	45	0.0	-37.03	374.05	9.51	-27.52
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])=C1	REAL300018351569	0	48	0.0	-36.80	381.11	6.55	-30.25
CCCOC1=CC=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351570	0	47	0.0	-30.90	375.83	9.20	-21.70
C#CCCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351571	0	46	0.0	-33.63	381.62	9.72	-23.91
COC1=CC=CC([C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])=C1	REAL300018351572	1	44	0.0	-32.80	369.01	10.75	-22.05
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])=C1	REAL300018351573	0	44	0.0	-36.89	381.60	11.01	-25.88
COC1=CC=CC([C@H]([NH2+]CC2=CC3=C(C)NN=C3N=C2)C(=O)[O-])=C1	REAL300018351574	0	42	0.0	-45.15	346.63	6.72	-38.43
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])=C1	REAL300018351575	0	51	0.0	-32.93	398.99	10.42	-22.51
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])=C1	REAL300018351577	0	40	0.0	-33.57	331.74	8.66	-24.91
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])=C1	REAL300018351579	0	47	0.0	-31.43	374.19	9.08	-22.35
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C(=O)[O-])=C1	REAL300018351583	0	51	0.0	-32.86	417.95	11.62	-21.24
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])=C1	REAL300018351586	0	46	0.0	-36.23	366.24	10.35	-25.88
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=CC(C)=C2)C(=O)[O-])=C1	REAL300018351587	0	49	0.0	-33.26	381.23	10.95	-22.31
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351588	0	49	0.0	-37.32	400.45	11.33	-25.99
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=C(C)C=C2)C(=O)[O-])=C1	REAL300018351589	0	49	0.0	-34.01	378.51	10.94	-23.07
COC1=CC=CC([C@H]([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018351590	0	52	0.0	-30.98	400.60	8.91	-22.07
COC1=CC=CC([C@H](NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])=C1	REAL300018351591	0	49	0.0	-57.09	372.93	8.72	-48.37
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=C(OCC=C(C)C)C=C2)C(=O)[O-])=C1	REAL300018351593	0	60	0.0	-36.58	460.23	12.50	-24.08
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])=C1	REAL300018351596	1	44	0.0	-37.03	379.16	11.08	-25.95
COC1=CC=CC([C@H]([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])=C1	REAL300018351597	0	49	0.0	-36.67	379.90	8.52	-28.15
COC1=CC=CC([C@H]([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])=C1	REAL300018351598	0	41	0.0	-38.70	339.02	6.58	-32.12
COC1=CC=CC([C@H]([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])=C1	REAL300018351599	1	40	0.0	-38.13	348.60	9.24	-28.89
COC1=CC=CC([C@H](NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])=C1	REAL300018351601	0	51	0.0	-56.97	380.76	8.58	-48.39
COC1=CC=CC([C@H]([NH2+]CC2=C(C)SC(C)=C2)C(=O)[O-])=C1	REAL300018351602	1	40	0.0	-31.28	334.90	8.75	-22.53
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])=C1	REAL300018351603	1	47	0.0	-34.45	394.13	11.69	-22.76
COC1=CC=CC([C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])=C1	REAL300018351604	0	41	0.0	-29.09	367.21	8.66	-20.43
C#CCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351605	0	43	0.0	-34.43	360.12	8.95	-25.48
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C(=O)[O-])=C1	REAL300018351606	0	48	0.0	-33.92	404.50	11.16	-22.76
CCOC1=C(OC)C=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1OC	REAL300018351607	0	52	0.0	-37.08	418.65	8.29	-28.79
COC1=CC=CC([C@H]([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])=C1	REAL300018351608	0	51	0.0	-34.47	390.29	6.84	-27.63
COC1=CC=CC([C@H](NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300018351609	0	51	0.0	-51.28	367.26	7.81	-43.47
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(SC)C(OC)=C2)C(=O)[O-])=C1	REAL300018351610	0	45	0.0	-34.43	371.89	8.52	-25.91
CCC(C)OC1=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1OC	REAL300018351611	0	54	0.0	-34.79	424.18	9.76	-25.03
C=C(C)COC1=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1OC	REAL300018351612	0	52	0.0	-36.14	417.82	9.71	-26.43
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(OCCC(C)C)=C2)C(=O)[O-])=C1	REAL300018351613	0	57	0.0	-35.16	444.15	10.39	-24.77
COC1=CC=CC([C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])=C1	REAL300018351614	0	58	0.0	-34.41	424.44	4.13	-30.28
CCOCC1=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1OC	REAL300018351615	0	51	0.0	-34.91	406.57	8.38	-26.53
CCCC(CC1=CC=CC=C1)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351617	0	49	0.0	-35.70	379.14	10.95	-24.75
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018351620	0	49	0.0	-35.62	398.57	11.27	-24.35
C=CCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1Cl	REAL300018351621	0	45	0.0	-36.55	383.27	9.53	-27.02
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=CC3=C2OC(C)C3)C(=O)[O-])=C1	REAL300018351623	0	49	0.0	-28.57	389.40	8.04	-20.53
COC1=CC=CC([C@H]([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])=C1	REAL300018351625	0	40	0.0	-35.78	331.77	6.84	-28.94
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])=C1	REAL300018351626	0	45	0.0	-33.05	364.05	7.72	-25.33
COC1=CC=CC([C@H](NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])=C1	REAL300018351628	1	58	0.0	-50.06	403.89	9.79	-40.27
COC1=CC=CC([C@H]([NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C(=O)[O-])=C1	REAL300018351629	0	52	0.0	-33.84	411.44	11.93	-21.91
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])=C1	REAL300018351631	0	48	0.0	-33.86	380.38	9.42	-24.44
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])=C1	REAL300018351634	0	40	0.0	-30.63	325.43	8.45	-22.18
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=CC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351635	0	44	0.0	-34.93	373.44	8.54	-26.39
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])=C1	REAL300018351636	0	37	0.0	-27.40	336.96	9.23	-18.17
COC1=CC=CC([C@H]([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])=C1	REAL300018351637	0	46	0.0	-33.27	360.65	8.98	-24.29
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])=C1	REAL300018351640	0	50	0.0	-32.77	397.88	9.95	-22.82
COCCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351641	0	48	0.0	-35.16	389.90	7.73	-27.43
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351642	0	46	0.0	-27.93	375.37	10.74	-17.19
COC1=CC=CC([C@H]([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])=C1	REAL300018351643	0	49	0.0	-32.10	358.56	9.41	-22.69
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])=C1	REAL300018351644	0	41	0.0	-36.50	360.19	8.35	-28.15
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N(C)C)C=C2C)C(=O)[O-])=C1	REAL300018351646	0	48	0.0	-30.41	368.86	9.15	-21.26
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])=C1	REAL300018351647	0	44	0.0	-32.24	350.42	10.14	-22.10
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=CC=C2C)C(=O)[O-])=C1	REAL300018351648	0	46	0.0	-30.18	351.23	9.93	-20.25
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=CC(C)=C2)C(=O)[O-])=C1	REAL300018351649	0	46	0.0	-35.69	360.98	10.20	-25.49
COC1=CC=CC([C@H]([NH2+]CC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])=C1	REAL300018351650	0	44	0.0	-32.61	359.06	6.24	-26.37
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])=C1	REAL300018351651	0	45	0.0	-33.86	374.17	7.88	-25.98
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])=C1	REAL300018351653	0	50	0.0	-31.20	397.86	9.95	-21.25
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])=C1	REAL300018351654	0	43	0.0	-31.99	349.49	10.34	-21.65
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1OC	REAL300018351655	0	49	0.0	-36.63	416.42	9.54	-27.09
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(CN3C=CC=N3)=C2)C(=O)[O-])=C1	REAL300018351656	0	51	0.0	-36.45	417.13	9.21	-27.24
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])=C1	REAL300018351657	0	48	0.0	-27.84	380.17	9.38	-18.46
COC1=CC=CC([C@H]([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])=C1	REAL300018351659	1	36	0.0	-27.93	314.67	6.93	-21.00
COC1=CC=CC([C@H]([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])=C1	REAL300018351660	0	36	0.0	-28.48	311.06	6.85	-21.63
COC1=CC=CC([C@H]([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])=C1	REAL300018351661	0	37	0.0	-33.84	332.59	8.91	-24.93
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])=C1	REAL300018351662	0	43	0.0	-30.08	352.04	10.26	-19.82
CCC1=NC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=N1	REAL300018351663	0	41	0.0	-34.92	335.92	6.76	-28.16
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])=C1	REAL300018351664	0	44	0.0	-40.66	363.32	9.43	-31.23
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])=C1	REAL300018351665	0	42	0.0	-36.05	343.98	8.64	-27.41
COC1=CC=CC([C@H]([NH2+]CC2=CC(C)=C(Br)S2)C(=O)[O-])=C1	REAL300018351666	1	37	0.0	-33.35	334.47	8.61	-24.74
COC1=CC=CC([C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])=C1	REAL300018351669	0	45	0.0	-45.68	357.20	4.01	-41.67
COC1=CC([C@H]([NH2+]CC2=CC(OC)=CC(F)=C2)C(=O)[O-])=CC=C1	REAL300018351670	0	41	0.0	-33.86	340.80	7.60	-26.26
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])=C1	REAL300018351671	0	41	0.0	-38.56	330.59	5.82	-32.74
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])=C1	REAL300018351672	0	47	0.0	-34.90	375.19	8.15	-26.75
COC1=CC=CC([C@H]([NH2+]C2CCN(C3=CC=CC=C3OC)CC2)C(=O)[O-])=C1	REAL300018351673	0	53	0.0	-33.66	403.78	8.07	-25.59
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])=C1	REAL300018351674	0	40	0.0	-31.02	334.00	9.24	-21.78
COC1=CC=CC([C@H]([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])=C1	REAL300018351675	0	39	0.0	-39.25	343.65	9.21	-30.04
COC1=CC=CC([C@H]([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018351676	0	40	0.0	-39.08	343.12	9.52	-29.56
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])=C1	REAL300018351677	0	50	0.0	-36.52	408.05	9.94	-26.58
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=C(F)C=C2Br)C(=O)[O-])=C1	REAL300018351678	0	43	0.0	-29.75	355.98	10.34	-19.41
COC1=CC=CC([C@H]([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018351680	0	42	0.0	-29.74	361.41	9.26	-20.48
COC1=CC=CC([C@H]([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])=C1	REAL300018351681	0	42	0.0	-30.79	356.73	9.09	-21.70
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])=C1	REAL300018351682	0	42	0.0	-39.77	355.19	6.77	-33.00
COC1=CC=CC([C@H]([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])=C1	REAL300018351683	1	39	0.0	-38.69	343.75	9.36	-29.33
COC1=CC=CC([C@H]([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])=C1	REAL300018351687	0	47	0.0	-32.32	351.86	7.26	-25.06
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])=C1	REAL300018351688	0	47	0.0	-31.54	367.60	10.72	-20.82
COC1=CC=CC([C@H]([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])=C1	REAL300018351689	0	56	0.0	-29.90	394.10	11.40	-18.50
COC1=CC=CC([C@H]([NH2+]C(C)CC(C)CC(C)C)C(=O)[O-])=C1	REAL300018351690	0	51	0.0	-30.92	370.62	9.57	-21.35
COC1=CC=CC([C@H]([NH2+]CC(C)C2=CC=C(C)C=C2)C(=O)[O-])=C1	REAL300018351691	0	46	0.0	-34.45	360.40	10.13	-24.32
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(C(C)(C)C)=C2)C(=O)[O-])=C1	REAL300018351692	0	53	0.0	-32.42	403.63	10.15	-22.27
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])=C1	REAL300018351694	0	50	0.0	-30.78	383.38	9.31	-21.47
COC1=CC=CC([C@H]([NH2+]CC(C)C2CCCCC2)C(=O)[O-])=C1	REAL300018351695	0	49	0.0	-33.15	360.76	9.66	-23.49
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])=C1	REAL300018351696	0	42	0.0	-40.98	359.15	3.19	-37.79
COC1=CC=CC([C@H]([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])=C1	REAL300018351697	0	44	0.0	-33.62	355.94	10.17	-23.45
CCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C(C)=C1	REAL300018351698	0	47	0.0	-31.07	369.13	9.01	-22.06
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C=C2OC)C(=O)[O-])=C1	REAL300018351699	0	44	0.0	-28.34	352.52	8.19	-20.15
COC1=CC=CC([C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])=C1	REAL300018351700	0	39	0.0	-31.95	346.54	7.32	-24.63
COC1=CC=CC([C@H]([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])=C1	REAL300018351701	0	47	0.0	-35.91	371.45	10.58	-25.33
COCC1=CSC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351702	1	41	0.0	-32.77	348.48	7.00	-25.77
CCCC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)S1	REAL300018351703	1	43	0.0	-32.36	359.97	9.69	-22.67
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])=C1	REAL300018351705	0	42	0.0	-34.36	340.61	9.28	-25.08
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Br)C(C)=C2)C(=O)[O-])=C1	REAL300018351706	0	40	0.0	-33.21	344.39	9.42	-23.79
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Cl)C(OC)=C2)C(=O)[O-])=C1	REAL300018351707	0	41	0.0	-34.66	348.51	8.02	-26.64
COC1=CC=CC([C@H]([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])=C1	REAL300018351708	0	40	0.0	-29.64	330.31	8.49	-21.15
CCC1=NN(C)C=C1C[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351711	0	43	0.0	-32.40	346.90	7.29	-25.11
COC1=CC=CC([C@H]([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])=C1	REAL300018351714	0	41	0.0	-34.98	343.24	9.79	-25.19
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])=C1	REAL300018351716	0	40	0.0	-33.58	348.46	9.17	-24.41
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C(C)=CC=CN23)C(=O)[O-])=C1	REAL300018351717	0	43	0.0	-33.51	353.19	9.26	-24.25
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])=C1	REAL300018351718	0	37	0.0	-32.65	319.30	7.04	-25.61
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(Br)N2C)C(=O)[O-])=C1	REAL300018351719	0	37	0.0	-32.53	323.59	7.06	-25.47
COC1=CC=CC([C@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018351721	0	37	0.0	-35.85	324.63	5.53	-30.32
COC1=CC=CC([C@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])=C1	REAL300018351722	0	41	0.0	-37.33	343.27	8.25	-29.08
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])=C1	REAL300018351723	0	41	0.0	-35.30	343.18	8.24	-27.06
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])=C1	REAL300018351725	0	40	0.0	-30.77	334.35	9.22	-21.55
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])=C1	REAL300018351726	1	39	0.0	-36.69	337.02	7.97	-28.72
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C=CC=C(C)N23)C(=O)[O-])=C1	REAL300018351727	0	43	0.0	-30.88	334.52	8.82	-22.06
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=NNC3=CC=CC=C32)C(=O)[O-])=C1	REAL300018351728	0	49	0.0	-38.52	388.83	8.94	-29.58
C=CCCCCCC(C)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351729	0	49	0.0	-32.11	374.37	10.14	-21.97
COC1=CC=CC([C@H]([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018351730	0	40	0.0	-31.16	341.70	9.36	-21.80
COCC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351731	0	44	0.0	-33.79	359.96	7.96	-25.83
COCC(CC(C)(C)C)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351732	0	49	0.0	-28.10	358.20	7.07	-21.03
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])=C1	REAL300018351733	0	42	0.0	-36.94	350.38	8.61	-28.33
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])=C1	REAL300018351734	0	45	0.0	-34.78	364.20	9.36	-25.42
COC1=CC=CC([C@H]([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])=C1	REAL300018351735	0	49	0.0	-28.84	351.21	9.46	-19.38
CCCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1C	REAL300018351736	0	50	0.0	-32.18	395.91	9.94	-22.24
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])=C1	REAL300018351738	0	47	0.0	-29.22	376.76	9.80	-19.42
COC1=CC=CC([C@H]([NH2+]CC2=C3N=CC(Br)=CN3N=C2)C(=O)[O-])=C1	REAL300018351740	0	39	0.0	-30.87	348.79	7.77	-23.10
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])=C1	REAL300018351742	0	39	0.0	-30.96	320.93	6.34	-24.62
COC1=CC=CC([C@H]([NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=C1	REAL300018351743	0	55	0.0	-31.80	401.81	8.76	-23.04
COC1=CC=CC([C@H](NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=C1	REAL300018351743	1	55	0.0	-58.77	414.98	10.53	-48.24
COC1=CC=CC([C@H](NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])=C1	REAL300018351743	1	55	0.0	-59.91	418.81	10.62	-49.29
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])=C1	REAL300018351744	0	40	0.0	-33.61	337.14	9.11	-24.50
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])=C1	REAL300018351746	0	44	0.0	-30.24	347.27	10.00	-20.24
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C=CC(Br)=CN23)C(=O)[O-])=C1	REAL300018351749	0	40	0.0	-33.44	353.02	9.27	-24.17
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351751	0	55	0.0	-33.24	437.80	12.94	-20.30
CCN(CC)C1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1F	REAL300018351752	0	51	0.0	-36.48	404.17	9.29	-27.19
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])=C1	REAL300018351753	0	49	0.0	-30.38	397.32	8.30	-22.08
COC1=CC=CC([C@H]([NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)C(=O)[O-])=C1	REAL300018351754	0	57	0.0	-35.07	423.05	8.90	-26.17
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])=C1	REAL300018351755	0	48	0.0	-40.38	376.00	10.58	-29.80
COC1=CC=CC([C@H]([NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018351756	0	53	0.0	-34.88	394.69	11.44	-23.44
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=CC=C3C(OC)=C2)C(=O)[O-])=C1	REAL300018351759	0	47	0.0	-33.31	377.43	9.77	-23.54
CCOC1=CN=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351760	0	43	0.0	-34.07	351.19	6.63	-27.44
CCOC1=CC(F)=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351761	0	44	0.0	-33.45	361.33	8.49	-24.96
COC1=CC=C(C(C)C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351762	0	47	0.0	-36.81	370.37	8.82	-27.99
COC1=CC=CC([C@H](NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300018351764	1	46	0.0	-60.86	343.24	7.97	-52.89
COC1=CC=CC([C@H](NC2CC[N@H+]3CCCC3C2)C(=O)[O-])=C1	REAL300018351764	1	46	0.0	-59.57	347.77	7.75	-51.82
COC1=CC=CC([C@H]([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])=C1	REAL300018351765	0	53	0.0	-32.70	370.33	10.01	-22.69
COC1=CC=CC([C@H]([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])=C1	REAL300018351766	0	46	0.0	-34.65	345.36	9.63	-25.02
COC1=CC=CC([C@H]([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])=C1	REAL300018351767	0	45	0.0	-35.59	358.17	9.27	-26.32
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C(OC)C=CC=C23)C(=O)[O-])=C1	REAL300018351768	0	47	0.0	-31.41	372.31	9.66	-21.75
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])=C1	REAL300018351770	0	45	0.0	-36.91	351.92	8.48	-28.43
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])=C1	REAL300018351771	0	46	0.0	-30.75	363.20	10.09	-20.66
COC1=CC=CC([C@H]([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])=C1	REAL300018351773	0	48	0.0	-36.55	383.30	11.24	-25.31
COC1=CC=CC([C@H]([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])=C1	REAL300018351774	0	51	0.0	-33.26	363.52	7.72	-25.54
COC1=CC=CC([C@H]([NH2+]CC2=CN=CC(OC)=C2C)C(=O)[O-])=C1	REAL300018351775	0	43	0.0	-33.50	344.19	6.32	-27.18
COC1=CC=CC([C@H]([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])=C1	REAL300018351776	0	40	0.0	-39.99	346.57	9.48	-30.51
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])=C1	REAL300018351778	0	37	0.0	-35.35	333.82	8.48	-26.87
COC1=CC=CC([C@H]([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])=C1	REAL300018351779	0	44	0.0	-33.96	357.72	8.82	-25.14
CCOC1CCC([NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018351780	0	47	0.0	-36.57	357.96	7.56	-29.01
COC1=CC=CC([C@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351781	0	37	0.0	-33.10	335.51	8.37	-24.73
CCCOC1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C(C)=C1	REAL300018351782	0	50	0.0	-30.86	390.63	9.81	-21.05
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(OC3CC3)=C2)C(=O)[O-])=C1	REAL300018351783	0	49	0.0	-36.58	394.67	9.10	-27.48
COC1=CC=CC([C@H]([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])=C1	REAL300018351784	0	50	0.0	-32.75	359.67	9.70	-23.05
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])=C1	REAL300018351785	0	39	0.0	-38.00	332.92	7.35	-30.65
COC1=CC=CC([C@H]([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])=C1	REAL300018351786	0	47	0.0	-32.49	355.66	10.18	-22.31
CCC1(C)CCC([NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018351788	0	49	0.0	-32.86	350.56	8.92	-23.94
COC1=CC=CC([C@H]([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300018351789	0	47	0.0	-36.90	355.35	10.20	-26.70
COC1=CC=CC([C@H]([NH2+]CC2=CN(C)N=C2C(F)F)C(=O)[O-])=C1	REAL300018351790	0	40	0.0	-29.77	337.00	6.90	-22.87
COC1=CC=CC([C@H]([NH2+]C(C)C2CCCCCC2)C(=O)[O-])=C1	REAL300018351791	0	49	0.0	-31.25	349.29	9.29	-21.96
CCC1(CC)CCC([NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018351793	0	52	0.0	-32.87	365.64	9.46	-23.41
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])=C1	REAL300018351794	0	45	0.0	-31.14	350.35	8.15	-22.99
COC1=CC=CC([C@H]([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])=C1	REAL300018351795	0	44	0.0	-36.92	353.19	10.09	-26.83
COC1=CC=CC([C@H]([NH2+]C(C)CC2=COC3=CC=CC=C23)C(=O)[O-])=C1	REAL300018351796	0	46	0.0	-36.86	364.21	9.84	-27.02
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])=C1	REAL300018351797	0	42	0.0	-38.16	357.75	3.15	-35.01
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CC=C(C)C=C3N2)C(=O)[O-])=C1	REAL300018351799	0	44	0.0	-33.32	358.14	8.83	-24.49
COC1=CC=CC([C@H]([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])=C1	REAL300018351800	0	41	0.0	-36.23	329.50	6.78	-29.45
COC1=CC=CC([C@H]([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018351803	0	53	0.0	-34.09	391.40	11.42	-22.67
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C(=O)[O-])=C1	REAL300018351805	0	53	0.0	-33.90	421.94	12.97	-20.93
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(=O)[O-])=C1	REAL300018351806	0	46	0.0	-36.92	371.92	11.62	-25.30
CCC1CCCC([NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)CC1	REAL300018351807	0	49	0.0	-30.78	353.11	9.22	-21.56
COC1=CC=CC([C@H]([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])=C1	REAL300018351808	0	49	0.0	-30.92	342.35	8.73	-22.19
COC1=CC=CC([C@H]([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])=C1	REAL300018351809	0	55	0.0	-30.77	384.74	10.06	-20.71
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])=C1	REAL300018351811	0	44	0.0	-36.40	367.35	8.72	-27.68
COC1=CC=CC([C@H]([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])=C1	REAL300018351812	0	44	0.0	-34.49	367.43	6.50	-27.99
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C=C2Br)C(=O)[O-])=C1	REAL300018351813	0	41	0.0	-27.47	348.72	8.00	-19.47
COCC1=CC=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1	REAL300018351814	0	44	0.0	-32.77	358.04	7.89	-24.88
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C(=O)[O-])=C1	REAL300018351815	0	47	0.0	-33.70	398.92	10.43	-23.27
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300018351817	0	48	0.0	-34.02	403.58	12.27	-21.75
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351818	0	54	0.0	-32.51	395.21	8.73	-23.78
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=C(OC)C=C2C)C(=O)[O-])=C1	REAL300018351819	0	48	0.0	-34.69	378.42	8.03	-26.66
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])=C1	REAL300018351820	0	44	0.0	-29.14	346.01	10.17	-18.97
COC1=CC=CC([C@H]([NH2+]CC2=CC(Br)=C(C)S2)C(=O)[O-])=C1	REAL300018351821	1	37	0.0	-31.53	336.43	8.69	-22.84
COC1=CC=CC([C@H]([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300018351822	0	40	0.0	-40.94	336.35	9.04	-31.90
COC1=CC=CC([C@H]([NH2+]CCC2=CC(C)=CC(C)=C2)C(=O)[O-])=C1	REAL300018351823	0	46	0.0	-36.49	369.23	10.33	-26.16
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=C(OC)C(OC)=C2C)C(=O)[O-])=C1	REAL300018351824	0	54	0.0	-41.99	412.91	9.18	-32.81
COC1=CC=C(N2C=C(C[NH2+][C@H](C(=O)[O-])C3=CC=CC(OC)=C3)C=N2)C=C1	REAL300018351825	0	48	0.0	-35.99	393.20	8.74	-27.25
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CSC=C2)C(=O)[O-])=C1	REAL300018351826	0	43	0.0	-32.74	351.56	9.26	-23.48
COCCC1=CC=C(OCC(C)[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351827	0	54	0.0	-30.66	424.61	8.89	-21.77
CCC(CC1=CC=C(Br)C=C1)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351828	0	46	0.0	-37.46	378.61	10.79	-26.67
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3=CC=CC=C3Cl)N=C2C)C(=O)[O-])=C1	REAL300018351829	0	47	0.0	-34.63	393.48	10.67	-23.96
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N(C)CC3=CC=CS3)C=C2)C(=O)[O-])=C1	REAL300018351830	0	52	0.0	-32.47	424.80	11.58	-20.89
COC1=CC=CC([C@H]([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])=C1	REAL300018351831	0	50	0.0	-33.12	391.17	11.76	-21.36
COC1=CC=CC([C@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])=C1	REAL300018351832	0	43	0.0	-34.78	359.15	6.41	-28.37
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])=C1	REAL300018351833	0	43	0.0	-35.35	342.69	7.26	-28.09
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])=C1	REAL300018351834	0	42	0.0	-37.56	347.29	7.30	-30.26
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=C(F)C=C2F)C(=O)[O-])=C1	REAL300018351835	0	46	0.0	-35.11	368.98	10.38	-24.73
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Br)C=C2SC)C(=O)[O-])=C1	REAL300018351836	0	41	0.0	-27.42	359.97	9.71	-17.71
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351837	0	49	0.0	-38.92	396.05	11.17	-27.75
COCC(CC1CCOCC1)[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351838	0	51	0.0	-30.06	377.05	7.23	-22.83
COC1=CC=CC([C@H]([NH2+]CCCC2=CN(C)N=C2)C(=O)[O-])=C1	REAL300018351839	0	43	0.0	-37.26	348.78	7.51	-29.75
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(N3CCN(C)CC3)N=C2)C(=O)[O-])=C1	REAL300018351840	0	52	0.0	-36.45	408.25	6.51	-29.94
COC1=CC=CC([C@H]([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C(=O)[O-])=C1	REAL300018351841	0	48	0.0	-35.93	393.61	11.69	-24.24
COC1=CC=CC([C@H]([NH2+]C2CCC3COCCC3C2)C(=O)[O-])=C1	REAL300018351846	0	48	0.0	-31.47	349.35	7.73	-23.74
COC1=CC=CC([C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)C(=O)[O-])=C1	REAL300018351847	0	48	0.0	-36.77	369.17	7.78	-28.99
COC1=CC=CC([C@H]([NH2+]C2CC3(C2)COC(C)C3)C(=O)[O-])=C1	REAL300018351848	0	45	0.0	-36.19	346.96	7.03	-29.16
COC1=CC=CC([C@H]([NH2+]C2CCOC3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300018351849	0	45	0.0	-35.00	348.73	8.45	-26.55
COC1=CC=CC([C@H]([NH2+]C2CCCC3=C(C=CS3)C2)C(=O)[O-])=C1	REAL300018351850	0	44	0.0	-36.88	347.16	9.36	-27.52
COC1=CC=CC([C@H]([NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])=C1	REAL300018351851	0	43	0.0	-34.41	343.29	9.46	-24.95
COC1=CC=CC([C@H]([NH2+]CC2=CC(OC)=CC=C2C)C(=O)[O-])=C1	REAL300018351852	0	44	0.0	-33.20	349.20	8.13	-25.07
COC1=CC=CC([C@H]([NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])=C1	REAL300018351855	0	40	0.0	-31.67	331.38	8.93	-22.74
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])=C1	REAL300018351856	0	46	0.0	-30.46	354.44	9.95	-20.51
COC1=CC=C2SC(C[NH2+][C@H](C(=O)[O-])C3=CC(OC)=CC=C3)=CC2=C1	REAL300018351858	1	44	0.0	-34.88	371.83	9.05	-25.83
CCN1CCC2=CC(C[NH2+][C@H](C(=O)[O-])C3=CC=CC(OC)=C3)=CC=C21	REAL300018351860	0	49	0.0	-32.58	377.34	8.36	-24.22
COC1=CC=CC([C@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)C(=O)[O-])=C1	REAL300018351861	0	54	0.0	-35.46	394.13	8.63	-26.83
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(SC)C(Cl)=C2)C(=O)[O-])=C1	REAL300018351862	0	41	0.0	-32.72	358.21	9.64	-23.08
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])=C1	REAL300018351863	0	47	0.0	-31.93	371.93	10.85	-21.08
COC1=CC=CC([C@H]([NH2+]C2CCCC3=C(C=CC=C3OC)C2)C(=O)[O-])=C1	REAL300018351864	0	51	0.0	-37.52	382.43	9.55	-27.97
CCOC1=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CC=N1	REAL300018351865	0	43	0.0	-33.44	353.84	5.87	-27.57
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])=C1	REAL300018351866	0	47	0.0	-32.03	371.34	10.86	-21.17
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=CC(C)=N3)C=C2C)C(=O)[O-])=C1	REAL300018351867	0	50	0.0	-34.96	398.63	10.50	-24.46
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018351868	0	43	0.0	-34.15	374.18	10.05	-24.10
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C(=O)[O-])=C1	REAL300018351869	0	47	0.0	-33.99	395.25	10.53	-23.46
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=C(Cl)C(C)=N3)C=C2)C(=O)[O-])=C1	REAL300018351870	0	47	0.0	-36.08	401.81	10.51	-25.57
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(=O)[O-])=C1	REAL300018351873	0	48	0.0	-33.58	376.37	9.27	-24.31
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C(=O)[O-])=C1	REAL300018351874	0	44	0.0	-31.40	362.31	8.50	-22.90
COC1=CC=CC([C@H]([NH2+]CC2=CC(C(C)C)=CC=C2O)C(=O)[O-])=C1	REAL300018351875	0	47	0.0	-34.11	372.77	7.54	-26.57
COC1=CC=CC([C@H]([NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])=C1	REAL300018351876	0	40	0.0	-34.57	338.52	6.04	-28.53
COC1=CC=CC([C@H]([NH2+]C2CCC3(CCC3)CC2)C(=O)[O-])=C1	REAL300018351877	0	47	0.0	-32.63	345.60	9.17	-23.46
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C)C(O)=C2)C(=O)[O-])=C1	REAL300018351878	0	41	0.0	-32.20	334.67	6.10	-26.10
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])=C1	REAL300018351881	0	42	0.0	-32.33	340.74	8.08	-24.25
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3COCCC3=C2)C(=O)[O-])=C1	REAL300018351883	0	45	0.0	-32.61	356.67	8.28	-24.33
COC1=CC=CC([C@H]([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C(=O)[O-])=C1	REAL300018351884	0	45	0.0	-36.88	367.85	8.04	-28.84
COC1=CC=CC([C@H]([NH2+]C2CC(COCC3=CC=CC=C3)C2)C(=O)[O-])=C1	REAL300018351885	0	51	0.0	-36.00	405.91	10.08	-25.92
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(SC)=C2)C(=O)[O-])=C1	REAL300018351886	0	41	0.0	-31.43	345.12	9.24	-22.19
COC1=CC=CC([C@H]([NH2+]C2CCC3=CC(Cl)=CC=C3C2)C(=O)[O-])=C1	REAL300018351887	0	44	0.0	-36.58	358.52	10.27	-26.31
COC1=CC=CC([C@H]([NH2+]C2CC(C3=CC=CC=C3Br)C2)C(=O)[O-])=C1	REAL300018351888	0	44	0.0	-31.54	363.86	10.43	-21.11
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])=C1	REAL300018351889	1	44	0.0	-31.85	368.18	10.42	-21.43
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])=C1	REAL300018351890	0	45	0.0	-33.95	363.52	9.14	-24.81
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])=C1	REAL300018351891	0	41	0.0	-29.77	356.44	8.03	-21.74
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351892	0	43	0.0	-32.57	376.10	10.11	-22.46
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=CN=C3C)C=C2C)C(=O)[O-])=C1	REAL300018351893	0	50	0.0	-36.05	397.49	11.24	-24.81
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=NC(C)=C3C)C=C2)C(=O)[O-])=C1	REAL300018351894	0	50	0.0	-38.15	400.72	11.78	-26.37
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(=O)[O-])=C1	REAL300018351895	0	51	0.0	-32.08	399.33	12.26	-19.82
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=C(Cl)C=C2F)C(=O)[O-])=C1	REAL300018351898	0	43	0.0	-33.63	357.12	10.36	-23.27
COC1=CC=CC([C@H]([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])=C1	REAL300018351902	0	48	0.0	-32.48	376.30	8.73	-23.75
COC1=CC=CC([C@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])=C1	REAL300018351903	1	40	0.0	-40.27	345.26	7.24	-33.03
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])=C1	REAL300018351907	0	40	0.0	-31.56	341.57	9.10	-22.46
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])=C1	REAL300018351908	0	45	0.0	-31.82	351.61	8.22	-23.60
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H](C(=O)[O-])C1=CC=CC(OC)=C1	REAL300018351909	0	44	0.0	-29.34	369.69	8.97	-20.37
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])=C1	REAL300018351912	0	50	0.0	-35.36	389.54	9.28	-26.08
COC1=CC=CC([C@H]([NH2+]C2CC3CCCCC3C2)C(=O)[O-])=C1	REAL300018351913	0	47	0.0	-31.94	347.46	9.36	-22.58
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C(C)(C)C)=C2OC)C(=O)[O-])=C1	REAL300018351914	0	53	0.0	-27.45	396.61	9.91	-17.54
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(OC)C=C2C)C(=O)[O-])=C1	REAL300018351916	0	43	0.0	-33.52	345.24	5.49	-28.03
COC1=CC=CC(C2CC([NH2+][C@H](C(=O)[O-])C3=CC=CC(OC)=C3)C2)=C1	REAL300018351918	0	48	0.0	-35.17	378.33	9.26	-25.91
COC1=CC=CC([C@H]([NH2+]C2CC(C3=NC(C)=NO3)C2)C(=O)[O-])=C1	REAL300018351919	0	42	0.0	-38.73	344.14	5.68	-33.05
COC1=CC=CC([C@H]([NH2+]C2CC(C3CCOCC3)C2)C(=O)[O-])=C1	REAL300018351920	0	48	0.0	-36.08	366.45	7.94	-28.14
COC1=CC=CC([C@H]([NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])=C1	REAL300018351922	0	44	0.0	-37.81	360.06	8.11	-29.70
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])=C1	REAL300018351923	0	50	0.0	-31.73	396.04	11.75	-19.98
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CC=C(OC)C=C2C)C(=O)[O-])=C1	REAL300018351924	0	50	0.0	-37.76	383.25	9.20	-28.56
CCC1=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=NN1CC	REAL300018351925	0	46	0.0	-32.84	362.32	8.09	-24.75
COC1=CC=CC([C@H]([NH2+]CC2=C(C)OC=C2C(F)(F)F)C(=O)[O-])=C1	REAL300018351926	0	40	0.0	-35.38	342.29	7.95	-27.43
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])=C1	REAL300018351927	0	43	0.0	-32.16	358.10	9.75	-22.41
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])=C1	REAL300018351928	0	43	0.0	-33.89	365.90	8.95	-24.94
COC1=CC=CC([C@H]([NH2+]C(C)CCC2=CC=C(OC)C=C2C)C(=O)[O-])=C1	REAL300018351929	0	53	0.0	-35.41	405.30	10.06	-25.35
COC1=CC=CC([C@H]([NH2+]C2CC3CCCCCC3C2)C(=O)[O-])=C1	REAL300018351930	0	50	0.0	-32.45	356.83	9.76	-22.69
COC1=CC=CC([C@H]([NH2+]C2CCC(C)C3=CC=CC=C3C2)C(=O)[O-])=C1	REAL300018351931	0	50	0.0	-37.20	372.75	10.68	-26.52
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(=O)[O-])=C1	REAL300018351932	0	44	0.0	-33.48	370.49	10.66	-22.82
CCOC1=CC(CCC(C)[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=CC=C1O	REAL300018351933	0	54	0.0	-37.39	421.95	8.33	-29.06
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(=O)[O-])=C1	REAL300018351934	0	43	0.0	-31.41	362.56	10.87	-20.54
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C(=O)[O-])=C1	REAL300018351935	0	48	0.0	-34.38	408.40	11.53	-22.85
COC1=CC=CC(OC2=CC=C(C[NH2+][C@H](C(=O)[O-])C3=CC=CC(OC)=C3)C=C2)=C1	REAL300018351936	0	52	0.0	-37.15	421.19	10.32	-26.83
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC3=CC=CC=C3OC)C=C2)C(=O)[O-])=C1	REAL300018351937	0	52	0.0	-35.90	422.27	10.95	-24.95
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(=O)[O-])=C1	REAL300018351938	0	41	0.0	-32.98	361.30	9.69	-23.29
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])=C1	REAL300018351939	0	45	0.0	-33.75	358.54	8.30	-25.45
COC1=CC=CC([C@H]([NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C(=O)[O-])=C1	REAL300018351940	0	43	0.0	-34.56	364.12	10.33	-24.23
COC1=CC=CC([C@H]([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])=C1	REAL300018351941	0	43	0.0	-36.81	357.58	6.34	-30.47
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC)C(OCCO)=C2)C(=O)[O-])=C1	REAL300018351943	0	49	0.0	-38.89	394.96	5.21	-33.68
COC1=CC=CC([C@H]([NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])=C1	REAL300018351944	0	42	0.0	-36.37	345.90	8.70	-27.67
COC1=CC=CC([C@H]([NH2+]CC2=C3OC(C)=CC3=CC=C2)C(=O)[O-])=C1	REAL300018351945	0	43	0.0	-29.59	354.12	9.38	-20.21
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])=C1	REAL300018351946	0	40	0.0	-37.11	348.14	9.28	-27.83
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C(=O)[O-])=C1	REAL300018351947	0	47	0.0	-34.54	380.41	9.16	-25.38
COC1=CC=CC([C@H]([NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])=C1	REAL300018351949	0	40	0.0	-33.59	336.96	6.85	-26.74
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])=C1	REAL300018351951	0	44	0.0	-36.08	368.81	9.48	-26.60
COC1=CC=CC([C@H]([NH2+]CC2=NN(CC(F)F)C=C2)C(=O)[O-])=C1	REAL300018351953	1	40	0.0	-36.80	340.37	7.02	-29.78
COC1=CC=CC([C@H]([NH2+]CC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])=C1	REAL300018351954	1	41	0.0	-39.03	348.89	7.61	-31.42
COC1=CC=CC([C@H]([NH2+]C2CC3CCCC(C3)C2)C(=O)[O-])=C1	REAL300018351955	0	47	0.0	-34.31	338.43	9.00	-25.31
COC1=CC=CC([C@H]([NH2+]CC2=C3OC=CC3=C(F)C=C2)C(=O)[O-])=C1	REAL300018351957	0	40	0.0	-31.23	336.74	8.56	-22.67
COC1=CC=CC([C@H]([NH2+]CC2=C3OC=CC3=CC(Cl)=C2)C(=O)[O-])=C1	REAL300018351958	0	40	0.0	-31.02	348.96	9.06	-21.96
COC1=CC=CC(CN2CCC([NH2+][C@H](C(=O)[O-])C3=CC=CC(OC)=C3)CC2)=C1	REAL300018351959	0	56	0.0	-35.21	424.44	8.01	-27.20
COC1=CC=CC([C@H]([NH2+]CC2=CN=C3C=C(Br)C=CN23)C(=O)[O-])=C1	REAL300018351961	0	40	0.0	-33.32	353.06	9.28	-24.04
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(=O)[O-])=C1	REAL300018351963	0	53	0.0	-30.96	404.83	11.98	-18.98
COC1=CC=CC([C@H]([NH2+]CC2=CN(C3CCC3)N=C2C)C(=O)[O-])=C1	REAL300018351964	0	47	0.0	-32.27	372.70	8.59	-23.68
COC1=CC=CC([C@H]([NH2+]CC=CC2=CC=CC=C2OC)C(=O)[O-])=C1	REAL300018351965	0	45	0.0	-34.03	364.30	8.87	-25.16
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(=O)[O-])=C1	REAL300018351966	0	45	0.0	-37.17	374.07	8.57	-28.60
COC1=CC=CC([C@H]([NH2+]C2CCCN(C(C)(C)C)C2)C(=O)[O-])=C1	REAL300018351968	0	51	0.0	-29.71	367.64	6.70	-23.01
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(=O)[O-])=C1	REAL300018351969	0	50	0.0	-32.99	405.77	12.63	-20.36
COC1=CC=CC([C@H]([NH2+]C2CC(C3=CC=C(OC(F)(F)F)C=C3)C2)C(=O)[O-])=C1	REAL300018351970	0	48	0.0	-35.59	393.02	9.70	-25.89
COC1=CC=CC([C@H]([NH2+]C2CCC(C3=CC=C(C)C=C3)CC2)C(=O)[O-])=C1	REAL300018351972	0	53	0.0	-30.78	393.99	11.90	-18.88
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])=C1	REAL300018351973	0	40	0.0	-33.59	330.96	8.99	-24.60
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C(=O)[O-])=C1	REAL300018351974	0	41	0.0	-35.46	365.01	8.52	-26.94
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C(=O)[O-])=C1	REAL300018351975	0	47	0.0	-37.05	392.14	11.02	-26.03
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])=C1	REAL300018351976	0	40	0.0	-33.81	341.81	9.58	-24.23
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(=O)[O-])=C1	REAL300018351977	0	46	0.0	-36.24	374.34	9.90	-26.34
COC1=CC=CC([C@H]([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])=C1	REAL300018351978	0	43	0.0	-35.35	342.69	7.26	-28.09
COC1=CC=CC([C@H]([NH2+]C2CC3CC=CCC3C2)C(=O)[O-])=C1	REAL300018351979	0	45	0.0	-32.97	341.03	9.36	-23.61
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C(=O)[O-])=C1	REAL300018351980	0	43	0.0	-36.62	349.76	9.85	-26.77
C=CCN1C=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=N1	REAL300018351981	0	41	0.0	-36.74	340.71	7.42	-29.32
COC1=CC=CC([C@H]([NH2+]CC2=CC3=NNC=C3C=C2)C(=O)[O-])=C1	REAL300018351982	0	40	0.0	-35.74	331.14	6.94	-28.80
CCC(C)C1=CC=C(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)C=C1	REAL300018351983	0	49	0.0	-31.65	383.57	10.82	-20.83
COC1=CC=CC([C@H]([NH2+]C2CCC3(C2)CCOCC3)C(=O)[O-])=C1	REAL300018351984	0	48	0.0	-34.98	348.29	7.22	-27.76
COC1=CC=CC([C@H]([NH2+]CC2=CC=CC3=C2CCCC3)C(=O)[O-])=C1	REAL300018351986	0	47	0.0	-29.85	358.30	10.53	-19.32
COC1=CC=CC([C@H]([NH2+]CC(C)=CC2=CC(F)=CC(F)=C2)C(=O)[O-])=C1	REAL300018351987	0	44	0.0	-35.30	362.82	10.06	-25.24
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(Br)C(F)=C2OC)C(=O)[O-])=C1	REAL300018351988	0	41	0.0	-29.80	359.35	8.23	-21.57
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C(=O)[O-])=C1	REAL300018351989	0	43	0.0	-40.10	357.27	8.14	-31.96
COC1=CC=CC([C@H]([NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C(=O)[O-])=C1	REAL300018351990	0	46	0.0	-32.44	362.33	10.92	-21.52
COC1=CC=CC([C@H]([NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C(=O)[O-])=C1	REAL300018351991	0	55	0.0	-31.25	430.07	9.87	-21.38
COC1=CC=CC([C@H]([NH2+]CC2=CC=C3NC=CC3=C2OC)C(=O)[O-])=C1	REAL300018351992	0	45	0.0	-29.79	364.50	7.61	-22.18
COC1=CC=CC([C@H]([NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C(=O)[O-])=C1	REAL300018351993	0	50	0.0	-34.64	392.49	5.24	-29.40
CCCN1N=CC(C[NH2+][C@H](C(=O)[O-])C2=CC=CC(OC)=C2)=C1C	REAL300018351994	0	46	0.0	-35.15	367.64	8.03	-27.12
COC1=CC=CC([C@H]([NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C(=O)[O-])=C1	REAL300018351995	0	46	0.0	-37.32	374.54	9.50	-27.82
COC1=CC=CC([C@H]([NH2+]C2CCC2CC2=CC=CC=C2)C(=O)[O-])=C1	REAL300018351996	0	47	0.0	-33.21	372.91	10.83	-22.38
O=C([O-])C(CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300018351999	0	48	0.0	-41.00	390.51	10.13	-30.87
O=C([O-])C(CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300018352000	0	47	0.0	-29.02	369.66	10.16	-18.86
CC1(C)CC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC(C)(C)C1	REAL300018353254	0	55	0.0	-36.21	378.10	8.71	-27.50
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018353255	0	47	0.0	-37.77	364.29	9.35	-28.42
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353256	0	53	0.0	-35.39	390.47	9.65	-25.74
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(Cl)=C1OC	REAL300018353257	0	48	0.0	-38.47	378.14	6.90	-31.57
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018353258	0	47	0.0	-35.58	373.12	9.81	-25.77
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018353259	0	43	0.0	-32.75	346.00	8.80	-23.95
CC(C)OC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353260	0	50	0.0	-33.86	376.75	8.14	-25.72
CCCCCCCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353261	0	62	0.0	-35.23	467.51	11.43	-23.80
CC(C[NH2+]C(CC1CCOCC1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018353262	0	61	0.0	-35.77	439.95	11.76	-24.01
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018353263	0	44	0.0	-31.67	336.57	7.22	-24.45
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018353264	0	39	0.0	-39.14	327.02	7.19	-31.95
CC(C)CC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353265	0	52	0.0	-33.97	389.76	9.95	-24.02
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=C2)C=C1	REAL300018353266	0	53	0.0	-35.31	404.24	11.35	-23.96
COC1=CC=C(Br)C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353267	0	44	0.0	-29.61	353.50	7.14	-22.47
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018353268	0	46	0.0	-51.31	363.82	8.16	-43.15
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018353269	0	40	0.0	-35.78	342.08	8.28	-27.50
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353270	0	53	0.0	-33.89	402.20	11.43	-22.46
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018353271	0	44	0.0	-37.40	345.01	6.77	-30.63
CCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OCC	REAL300018353272	0	54	0.0	-38.87	410.75	8.47	-30.40
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018353273	0	43	0.0	-42.02	360.52	8.68	-33.34
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018353274	0	40	0.0	-33.97	324.54	7.69	-26.28
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018353275	0	43	0.0	-42.25	345.74	6.45	-35.80
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018353276	0	44	0.0	-36.96	351.75	6.99	-29.97
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353277	0	46	0.0	-42.19	366.47	4.72	-37.47
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353278	0	54	0.0	-36.46	416.82	10.33	-26.13
CC(CCOCC1=CC=CC=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353279	0	53	0.0	-34.02	393.57	8.88	-25.14
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018353280	0	47	0.0	-37.53	361.88	9.45	-28.08
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018353281	0	50	0.0	-35.52	396.69	11.13	-24.39
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018353282	0	50	0.0	-35.04	396.69	11.12	-23.92
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018353283	0	50	0.0	-42.14	407.58	10.32	-31.82
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353284	0	46	0.0	-41.54	352.56	7.69	-33.85
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018353285	0	45	0.0	-36.62	344.18	7.26	-29.36
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018353286	0	51	0.0	-38.09	382.21	7.34	-30.75
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353287	0	48	0.0	-43.12	382.19	3.98	-39.14
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018353288	0	44	0.0	-33.18	335.87	7.18	-26.00
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018353289	0	44	0.0	-36.13	339.98	7.28	-28.85
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018353290	0	43	0.0	-42.63	345.31	6.29	-36.34
CC1(C)CCC2=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CC=C2O1	REAL300018353291	0	54	0.0	-34.33	396.76	9.17	-25.16
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353292	0	55	0.0	-35.40	385.90	9.87	-25.53
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018353293	0	49	0.0	-35.87	375.36	8.99	-26.88
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018353294	0	49	0.0	-38.06	378.04	8.92	-29.14
CN1CCN(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=C2)CC1	REAL300018353295	1	57	0.0	-34.76	415.35	6.06	-28.70
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018353296	0	49	0.0	-39.88	389.79	5.79	-34.09
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018353297	0	50	0.0	-40.73	367.30	5.23	-35.50
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018353298	0	55	0.0	-36.53	411.46	8.51	-28.02
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018353299	0	54	0.0	-36.00	394.87	5.94	-30.06
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018353300	0	47	0.0	-40.07	371.00	8.47	-31.60
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018353301	0	47	0.0	-40.94	384.18	9.00	-31.94
CC(C)(C)N1C=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=N1	REAL300018353302	0	49	0.0	-34.78	371.05	7.25	-27.53
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300018353303	0	59	0.0	-37.11	451.98	10.44	-26.67
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018353304	0	47	0.0	-38.23	376.68	7.88	-30.35
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018353306	0	47	0.0	-33.24	393.20	10.55	-22.69
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300018353307	0	51	0.0	-41.72	406.31	7.93	-33.79
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018353308	0	50	0.0	-38.92	377.32	7.31	-31.61
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018353309	0	53	0.0	-40.24	414.76	8.78	-31.46
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018353310	0	53	0.0	-37.65	409.79	8.78	-28.87
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300018353312	0	50	0.0	-43.82	405.28	9.36	-34.46
COCCOC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353313	0	51	0.0	-38.60	390.74	6.69	-31.91
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300018353314	0	44	0.0	-35.65	353.82	7.28	-28.37
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2OC1	REAL300018353315	0	46	0.0	-36.17	375.99	8.39	-27.78
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018353316	0	46	0.0	-36.80	384.67	8.75	-28.05
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018353317	0	45	0.0	-43.73	366.40	6.27	-37.46
COC1=NC=C(Br)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353318	0	43	0.0	-34.34	352.87	4.56	-29.78
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018353319	0	39	0.0	-39.41	324.58	6.19	-33.22
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018353320	0	49	0.0	-36.05	382.30	4.58	-31.47
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018353321	0	45	0.0	-36.64	341.38	7.44	-29.20
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018353322	0	47	0.0	-40.60	379.55	7.96	-32.64
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018353323	0	46	0.0	-35.31	348.68	6.40	-28.91
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018353324	0	49	0.0	-39.70	368.44	7.30	-32.40
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018353325	0	47	0.0	-39.10	363.97	9.55	-29.55
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018353326	0	47	0.0	-33.52	361.01	9.45	-24.07
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018353327	0	48	0.0	-38.69	375.30	8.63	-30.06
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018353328	0	51	0.0	-40.06	386.81	5.66	-34.40
CCCOC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353329	0	50	0.0	-37.34	381.47	8.29	-29.05
C#CCCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353330	0	49	0.0	-35.25	384.42	8.74	-26.51
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018353331	0	47	0.0	-32.76	371.80	9.78	-22.98
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018353332	0	47	0.0	-35.25	382.84	10.12	-25.13
CC1=C2C=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=NC2=NN1	REAL300018353333	0	45	0.0	-42.53	351.69	5.78	-36.75
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018353334	0	54	0.0	-35.98	400.62	9.43	-26.55
CN(C)C1=NC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])S1	REAL300018353335	0	44	0.0	-35.35	350.24	6.18	-29.17
CC(C)OC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353336	0	50	0.0	-34.24	376.00	8.09	-26.15
CC1=CC=C(C2=NC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CS2)C=C1	REAL300018353337	0	49	0.0	-37.99	392.39	8.81	-29.18
CC(C)C1=NC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CS1	REAL300018353338	1	45	0.0	-36.65	353.90	6.38	-30.27
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300018353339	1	43	0.0	-37.27	342.59	6.57	-30.70
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018353340	0	54	0.0	-36.45	420.74	10.64	-25.81
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300018353341	0	50	0.0	-40.82	404.73	7.74	-33.08
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353342	0	49	0.0	-39.06	370.25	9.56	-29.50
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353343	0	52	0.0	-40.29	403.86	10.52	-29.77
CC1=CC=C(CCC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353344	0	52	0.0	-35.91	385.24	10.17	-25.74
CC(C1=CC=CC=C1)N1CCC([NH2+]C(CC2CCOCC2)C(=O)[O-])C1	REAL300018353345	0	55	0.0	-37.00	402.77	8.01	-28.99
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CS2)C=C1	REAL300018353346	0	53	0.0	-39.83	423.97	8.32	-31.51
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353347	0	63	0.0	-36.38	465.92	11.57	-24.81
CC(C)(C)C1=NC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CS1	REAL300018353348	1	48	0.0	-37.24	375.00	6.96	-30.28
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018353349	0	43	0.0	-38.64	364.17	7.15	-31.49
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018353350	0	47	0.0	-33.84	382.87	10.11	-23.73
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018353351	0	52	0.0	-34.00	389.95	7.87	-26.13
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018353352	0	44	0.0	-41.31	342.18	5.76	-35.55
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018353353	0	43	0.0	-40.18	349.83	8.36	-31.82
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])S1	REAL300018353354	0	48	0.0	-34.50	375.46	7.05	-27.45
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])S2)C=C1	REAL300018353355	0	50	0.0	-31.76	395.00	10.65	-21.11
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353356	0	44	0.0	-33.86	370.95	7.72	-26.14
C#CCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353357	0	46	0.0	-37.30	365.80	8.06	-29.24
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353358	0	52	0.0	-39.11	379.35	10.07	-29.04
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018353359	0	51	0.0	-34.74	407.44	10.18	-24.56
CCOC1=C(OC)C=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OC	REAL300018353360	0	55	0.0	-39.69	422.06	7.49	-32.20
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018353361	0	54	0.0	-37.65	395.21	6.22	-31.43
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1SC	REAL300018353362	0	48	0.0	-37.34	377.21	7.77	-29.57
CCC(C)OC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1OC	REAL300018353363	0	57	0.0	-38.12	427.57	8.96	-29.16
C=C(C)COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1OC	REAL300018353364	0	55	0.0	-38.84	421.18	8.90	-29.94
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OCCC(C)C	REAL300018353365	0	60	0.0	-37.63	447.30	9.57	-28.06
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018353366	0	61	0.0	-34.90	423.54	3.59	-31.31
CCOCC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1OC	REAL300018353367	0	54	0.0	-37.41	409.72	7.56	-29.85
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018353368	0	47	0.0	-38.06	368.02	7.19	-30.87
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018353369	1	46	0.0	-31.42	371.44	8.19	-23.23
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353370	0	52	0.0	-39.09	403.86	10.53	-28.56
C=CCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300018353371	0	48	0.0	-39.35	386.43	8.71	-30.64
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018353372	0	46	0.0	-35.35	373.65	8.29	-27.06
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018353373	0	52	0.0	-36.99	395.05	7.13	-29.86
CN1N=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C2=CC=CC=C21	REAL300018353374	0	46	0.0	-31.84	358.24	7.35	-24.49
CN(C)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1F	REAL300018353375	0	48	0.0	-35.70	369.20	6.97	-28.73
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018353376	0	43	0.0	-43.72	345.49	6.92	-36.80
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353378	0	55	0.0	-39.01	414.84	11.34	-27.67
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300018353379	0	49	0.0	-40.67	399.18	6.89	-33.78
CC1(C)CC2=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CC=C2O1	REAL300018353380	0	51	0.0	-37.35	386.03	8.51	-28.84
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018353381	0	43	0.0	-39.06	362.61	7.17	-31.89
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018353382	0	47	0.0	-36.39	376.52	7.72	-28.67
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300018353383	0	40	0.0	-35.73	341.72	8.32	-27.41
CC(CSC(C)(C)C)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353384	0	49	0.0	-25.98	357.04	8.20	-17.78
CN(C)C1=NC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])N1C	REAL300018353385	0	48	0.0	-38.40	361.10	6.67	-31.73
CC(C)COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353386	0	53	0.0	-33.76	398.74	8.92	-24.84
COCCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353387	0	51	0.0	-37.44	393.64	6.78	-30.66
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353388	0	49	0.0	-30.42	383.65	10.59	-19.83
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018353389	0	44	0.0	-38.35	361.43	7.47	-30.88
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300018353390	0	48	0.0	-40.51	399.18	8.81	-31.70
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018353391	0	47	0.0	-32.71	351.29	9.10	-23.61
CC1=CC=CC=C1CC(C)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353392	0	49	0.0	-30.17	354.34	9.12	-21.05
CC1=CC=CC(CC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353393	0	49	0.0	-38.53	364.71	9.27	-29.26
COC1=CC2=C(C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-])OCO2	REAL300018353394	0	47	0.0	-36.39	362.78	5.29	-31.10
COC1=CC(Cl)=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OC	REAL300018353395	0	48	0.0	-29.77	376.29	6.87	-22.90
CC(C)COC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353396	0	53	0.0	-37.04	401.58	8.99	-28.05
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300018353397	0	60	0.0	-37.21	445.86	6.06	-31.15
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018353398	0	46	0.0	-35.62	351.87	9.36	-26.26
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OC	REAL300018353399	0	52	0.0	-36.25	419.60	8.71	-27.54
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300018353400	0	54	0.0	-34.40	417.96	8.17	-26.23
CC1(C)CC2=CC=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=C2O1	REAL300018353401	0	51	0.0	-29.75	385.60	8.63	-21.12
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018353402	1	46	0.0	-29.31	354.66	7.10	-22.21
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=NC=C1Br	REAL300018353403	0	39	0.0	-27.89	316.57	6.00	-21.89
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018353404	0	40	0.0	-36.47	336.00	8.11	-28.36
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353405	0	46	0.0	-33.80	358.76	9.12	-24.68
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018353406	0	47	0.0	-34.63	366.65	8.62	-26.01
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018353407	0	45	0.0	-38.48	349.30	7.90	-30.58
CC1=C(Br)SC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353408	0	40	0.0	-31.15	337.25	7.63	-23.52
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018353409	0	43	0.0	-38.13	355.31	8.49	-29.64
CS(=O)(=O)N1CCC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC1	REAL300018353410	0	48	0.0	-41.86	356.20	3.32	-38.54
COC1=CC(F)=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353411	0	44	0.0	-35.39	342.05	6.72	-28.67
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=N1	REAL300018353412	0	50	0.0	-37.77	379.92	7.38	-30.39
COC1=CC=CC=C1N1CCC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC1	REAL300018353413	0	56	0.0	-36.65	404.53	7.15	-29.50
CC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(Cl)=C1	REAL300018353414	0	43	0.0	-26.60	338.97	8.34	-18.26
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018353415	0	42	0.0	-41.61	346.81	8.39	-33.22
O=C([O-])C(CC1CCOCC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018353416	0	43	0.0	-38.78	345.21	8.67	-30.11
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300018353417	0	60	0.0	-37.82	460.02	12.02	-25.80
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300018353418	0	53	0.0	-37.92	408.83	8.88	-29.04
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353419	0	46	0.0	-33.59	362.26	9.19	-24.40
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])S2)C=C1	REAL300018353420	0	49	0.0	-35.18	395.04	8.97	-26.21
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018353421	0	45	0.0	-35.47	365.14	8.30	-27.17
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018353422	0	45	0.0	-30.73	362.29	8.20	-22.53
CS(=O)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353423	0	45	0.0	-40.38	357.99	5.79	-34.59
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018353424	0	47	0.0	-40.02	380.87	9.40	-30.62
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])O1	REAL300018353425	0	50	0.0	-38.11	393.33	9.99	-28.12
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])O2)C=C1	REAL300018353426	0	53	0.0	-38.55	411.42	10.76	-27.79
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018353427	0	50	0.0	-32.90	368.45	9.68	-23.22
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018353428	0	59	0.0	-36.08	401.06	10.35	-25.73
CC1=CC=C(C(C)C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353429	0	49	0.0	-37.18	364.39	9.37	-27.81
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1C(C)(C)C	REAL300018353430	0	56	0.0	-35.43	409.29	9.25	-26.18
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353431	0	53	0.0	-37.68	389.31	8.43	-29.25
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353432	0	45	0.0	-42.21	360.01	2.15	-40.06
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018353433	0	47	0.0	-37.74	359.85	9.21	-28.53
CCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300018353434	0	50	0.0	-32.53	368.18	7.89	-24.64
COC1=CC(C)=CC=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353435	0	47	0.0	-33.34	355.31	7.21	-26.13
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353436	0	42	0.0	-30.28	343.72	6.39	-23.89
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018353437	0	50	0.0	-35.50	367.65	9.80	-25.70
COCC1=CSC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353438	0	44	0.0	-32.90	351.28	6.03	-26.87
CCCC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])S1	REAL300018353439	0	46	0.0	-33.94	361.23	8.81	-25.13
CC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018353440	0	45	0.0	-42.13	340.98	8.16	-33.97
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1Br	REAL300018353441	0	43	0.0	-34.42	345.25	8.38	-26.04
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1Cl	REAL300018353442	0	44	0.0	-37.12	351.68	7.20	-29.92
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018353443	0	43	0.0	-37.02	333.09	7.52	-29.50
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018353444	0	47	0.0	-40.48	367.18	8.54	-31.94
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018353445	0	39	0.0	-37.50	334.69	5.67	-31.83
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018353446	0	47	0.0	-36.79	350.74	6.68	-30.11
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018353447	0	44	0.0	-38.25	347.17	8.86	-29.39
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018353448	0	45	0.0	-37.89	345.57	4.70	-33.19
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018353449	0	43	0.0	-35.44	349.32	8.14	-27.30
CC1=CC=CN2C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CN=C12	REAL300018353450	0	46	0.0	-38.57	354.04	8.23	-30.34
CN1C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CN=C1Cl	REAL300018353451	0	40	0.0	-37.70	322.09	6.06	-31.64
CN1C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CN=C1Br	REAL300018353452	0	40	0.0	-37.71	326.39	6.08	-31.63
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018353453	0	46	0.0	-45.81	365.46	7.24	-38.57
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018353454	0	40	0.0	-38.59	326.81	4.53	-34.06
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018353455	0	44	0.0	-35.72	347.01	7.28	-28.44
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018353456	0	44	0.0	-37.10	346.91	7.28	-29.82
CCOC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=N1	REAL300018353457	0	46	0.0	-39.62	357.32	5.01	-34.61
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353458	0	43	0.0	-33.15	332.31	8.10	-25.05
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018353459	0	42	0.0	-33.91	337.88	6.95	-26.96
CC1=CC=CC2=NC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])N21	REAL300018353460	0	46	0.0	-37.30	344.44	8.02	-29.28
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353461	0	52	0.0	-38.82	387.26	8.04	-30.78
CC1=CC(Cl)=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353462	0	43	0.0	-36.93	346.43	8.59	-28.34
COCC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353463	0	47	0.0	-34.89	360.84	6.93	-27.96
COCC(CC(C)(C)C)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353464	0	52	0.0	-27.28	361.43	6.87	-20.41
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018353465	0	45	0.0	-44.53	353.17	7.63	-36.90
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC2=CC=CN=C12	REAL300018353466	0	48	0.0	-37.66	369.86	8.45	-29.21
CCCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1C	REAL300018353467	0	53	0.0	-35.11	401.55	9.04	-26.07
COC1=C(C)C=NC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1C	REAL300018353468	0	49	0.0	-29.25	366.46	6.08	-23.17
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353469	0	50	0.0	-36.68	382.47	8.90	-27.78
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])S1	REAL300018353470	0	43	0.0	-40.18	361.71	3.95	-36.23
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018353471	0	42	0.0	-36.83	349.66	6.73	-30.10
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])O2)C=C1	REAL300018353472	0	59	0.0	-38.36	444.65	11.63	-26.73
CC1CC([NH2+]C(CC2CCOCC2)C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300018353473	0	58	0.0	-34.87	403.44	8.15	-26.72
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018353474	0	43	0.0	-36.66	340.84	8.15	-28.51
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018353475	0	42	0.0	-42.91	345.55	5.32	-37.59
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018353476	0	47	0.0	-32.63	350.45	9.18	-23.45
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC(Cl)=CS1	REAL300018353477	0	36	0.0	-29.99	307.90	4.91	-25.08
COC1=NSC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353478	0	40	0.0	-36.24	325.93	3.18	-33.06
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018353479	0	43	0.0	-35.30	353.88	8.25	-27.05
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018353480	0	45	0.0	-36.35	343.88	7.63	-28.72
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353481	0	58	0.0	-36.67	441.91	11.99	-24.68
CCN(CC)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1F	REAL300018353482	0	54	0.0	-35.17	408.76	8.60	-26.57
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C(SC)C=C1OC	REAL300018353483	0	52	0.0	-34.33	397.25	7.23	-27.10
CN(C)C1=CC=C(N2CCC([NH2+]C(CC3CCOCC3)C(=O)[O-])CC2)C=C1	REAL300018353484	0	60	0.0	-37.82	427.11	8.12	-29.70
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353485	0	51	0.0	-38.05	377.43	9.99	-28.06
CC1CC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018353486	0	56	0.0	-37.89	404.40	10.83	-27.06
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018353487	0	42	0.0	-32.08	346.37	6.94	-25.14
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300018353488	0	50	0.0	-37.35	382.76	9.02	-28.33
CCOC1=CN=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353489	0	46	0.0	-36.15	352.04	5.60	-30.55
CCOC1=CC(F)=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353490	0	47	0.0	-36.22	366.06	7.72	-28.50
COC1=CC=C(C(C)C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353491	0	50	0.0	-39.83	373.79	8.01	-31.82
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353492	0	47	0.0	-37.50	360.94	6.92	-30.58
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018353493	0	56	0.0	-35.19	373.51	9.21	-25.98
CC([NH2+]C(CC1CCOCC1)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018353494	0	49	0.0	-37.34	358.70	9.07	-28.27
COC1=CC=CC2=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=CC=C12	REAL300018353495	0	50	0.0	-34.19	370.98	8.57	-25.62
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018353496	0	47	0.0	-27.88	343.99	7.12	-20.76
CC(CCC1=CC=CN=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353497	0	48	0.0	-37.60	360.32	7.60	-30.00
CC(C)C1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353498	0	49	0.0	-32.90	365.97	9.11	-23.79
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])O1	REAL300018353499	0	42	0.0	-47.07	345.65	0.56	-46.51
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018353500	0	51	0.0	-37.63	384.48	10.21	-27.42
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018353501	0	54	0.0	-36.34	362.47	7.02	-29.32
COC1=CN=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1C	REAL300018353502	0	46	0.0	-35.00	346.31	5.35	-29.65
O=C([O-])C(CC1CCOCC1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018353503	0	43	0.0	-35.46	347.44	8.45	-27.01
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018353504	0	42	0.0	-40.53	328.75	6.14	-34.39
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018353505	0	40	0.0	-32.77	336.62	7.50	-25.27
CC1=C2C=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])NC2=CC=C1	REAL300018353506	0	47	0.0	-34.47	358.59	7.78	-26.69
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018353507	0	40	0.0	-35.30	338.91	7.57	-27.73
CCCOC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300018353508	0	53	0.0	-32.33	389.65	8.71	-23.62
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OC1CC1	REAL300018353509	0	52	0.0	-38.41	395.92	8.22	-30.19
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018353510	0	53	0.0	-36.25	364.98	8.95	-27.30
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018353511	0	42	0.0	-38.28	335.55	6.43	-31.85
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018353512	0	50	0.0	-39.30	356.60	9.33	-29.97
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC=C(Br)S1	REAL300018353513	0	36	0.0	-30.05	312.62	5.22	-24.83
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018353514	0	50	0.0	-39.85	358.59	9.40	-30.45
CC([NH2+]C(CC1CCOCC1)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018353515	0	52	0.0	-30.39	387.63	9.86	-20.53
CCC1(CC)CCC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC1	REAL300018353516	0	55	0.0	-34.14	367.18	8.44	-25.70
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018353517	0	48	0.0	-32.87	352.97	7.31	-25.56
O=C([O-])C(CC1CCOCC1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018353518	0	47	0.0	-37.87	363.87	9.60	-28.27
CC(CC1=COC2=CC=CC=C12)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353519	0	49	0.0	-28.79	363.50	9.12	-19.67
NS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353520	0	45	0.0	-45.57	362.85	2.21	-43.36
CC1=CC=C2C=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])NC2=C1	REAL300018353521	0	47	0.0	-35.67	361.87	7.87	-27.80
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018353522	0	39	0.0	-31.44	331.49	5.67	-25.77
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018353523	0	56	0.0	-38.02	395.53	10.69	-27.33
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018353524	0	42	0.0	-45.04	330.94	4.90	-40.14
CC1=CC(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300018353525	0	56	0.0	-35.02	422.77	11.93	-23.09
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018353526	0	49	0.0	-40.83	382.88	10.80	-30.03
CC(C)(C)C1CCCC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC1	REAL300018353527	0	58	0.0	-35.41	385.37	9.20	-26.21
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018353528	0	43	0.0	-39.49	342.59	8.02	-31.47
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018353529	0	47	0.0	-39.08	373.03	7.82	-31.26
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018353530	0	47	0.0	-38.15	372.54	5.57	-32.58
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(Br)=C1	REAL300018353531	0	44	0.0	-35.57	351.75	7.05	-28.52
COCC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353532	0	47	0.0	-33.90	363.35	7.15	-26.75
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353533	0	50	0.0	-38.74	403.69	9.58	-29.16
CN(C)CC1=NC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CS1	REAL300018353534	0	47	0.0	-38.26	369.33	3.91	-34.35
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018353535	0	51	0.0	-37.67	409.28	11.38	-26.29
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353536	0	57	0.0	-43.63	413.27	8.34	-35.29
COC1=CC(C)=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OC	REAL300018353537	0	51	0.0	-35.47	380.87	6.98	-28.49
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018353538	0	47	0.0	-31.66	351.32	9.41	-22.25
CC1=C(Br)C=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])S1	REAL300018353539	0	40	0.0	-32.55	338.34	7.70	-24.85
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300018353540	0	58	0.0	-39.05	444.08	10.08	-28.97
COC1=CC=C(N2C=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=N2)C=C1	REAL300018353541	0	51	0.0	-41.95	396.94	7.78	-34.17
CC(CCC1=CSC=C1)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353542	0	46	0.0	-35.89	353.82	8.43	-27.46
COCCC1=CC=C(OCC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353543	0	57	0.0	-31.49	428.96	8.17	-23.32
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353544	0	50	0.0	-40.50	399.16	9.75	-30.75
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353545	0	55	0.0	-34.49	425.95	10.55	-23.94
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018353546	0	53	0.0	-38.46	401.35	10.60	-27.86
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018353547	0	46	0.0	-39.55	361.94	5.43	-34.12
CN1N=CC2=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CN=C21	REAL300018353548	0	45	0.0	-40.57	352.60	6.56	-34.01
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353549	0	44	0.0	-32.62	359.94	8.64	-23.98
CN1CCN(C2=NC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=N2)CC1	REAL300018353550	0	55	0.0	-39.24	412.03	5.56	-33.68
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018353551	0	51	0.0	-38.49	397.65	10.73	-27.76
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018353552	0	53	0.0	-39.00	396.65	8.76	-30.24
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353553	0	49	0.0	-43.73	391.51	8.69	-35.04
CC1CCC2=C(C1)SC(C[NH2+]C(CC1CCOCC1)C(=O)[O-])=N2	REAL300018353554	1	49	0.0	-29.92	377.61	7.77	-22.15
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2COCCC2C1	REAL300018353555	0	51	0.0	-32.67	351.03	6.88	-25.79
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018353556	0	48	0.0	-37.23	352.05	7.65	-29.58
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018353557	0	47	0.0	-40.57	351.57	8.60	-31.97
CN1C=NC2=CC=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=C21	REAL300018353558	0	46	0.0	-36.68	346.61	8.67	-28.01
COC1=CC=C(C)C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353559	0	47	0.0	-30.40	347.70	6.95	-23.45
CC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C)=C1C	REAL300018353562	0	49	0.0	-31.83	354.83	8.89	-22.94
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018353563	0	50	0.0	-32.27	362.16	7.75	-24.52
COC1=CC=C2SC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CC2=C1	REAL300018353564	0	47	0.0	-33.49	372.69	8.02	-25.47
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018353565	1	46	0.0	-41.79	361.10	8.50	-33.29
CCN1CCC2=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=CC=C21	REAL300018353566	0	52	0.0	-34.12	385.43	7.97	-26.15
CC1(C)CC2(CO1)CCC([NH2+]C(CC1CCOCC1)C(=O)[O-])CC2	REAL300018353567	0	57	0.0	-37.26	395.57	7.74	-29.52
CSC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1Cl	REAL300018353568	0	44	0.0	-35.33	363.52	8.89	-26.44
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1C1CC1	REAL300018353569	0	50	0.0	-32.91	372.78	9.81	-23.10
COC1=CC=CC2=C1CCCC([NH2+]C(CC1CCOCC1)C(=O)[O-])C2	REAL300018353570	0	54	0.0	-39.45	385.04	8.56	-30.89
CCOC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=N1	REAL300018353571	0	46	0.0	-34.56	355.08	4.99	-29.57
CC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1C1CC1	REAL300018353572	0	50	0.0	-33.06	372.78	9.81	-23.25
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C(C)=C2)C=C1	REAL300018353573	0	53	0.0	-40.22	402.51	9.55	-30.67
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018353574	0	46	0.0	-37.49	379.86	9.15	-28.34
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353575	0	50	0.0	-38.88	395.63	9.47	-29.41
CC1=NN(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=C2)C=C1Cl	REAL300018353576	0	50	0.0	-40.44	402.67	9.48	-30.96
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018353577	1	50	0.0	-38.82	380.57	3.88	-34.94
CC1OC2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=C2C1C	REAL300018353578	0	51	0.0	-35.90	379.53	8.45	-27.45
CC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OC(F)F	REAL300018353579	0	47	0.0	-38.39	365.47	7.68	-30.71
CC(C)C1=CC=C(O)C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353580	0	50	0.0	-31.44	377.45	6.47	-24.97
CC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])NN=C1C(F)(F)F	REAL300018353581	0	43	0.0	-36.39	342.51	5.10	-31.29
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018353582	1	43	0.0	-30.18	344.13	6.65	-23.53
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018353583	0	46	0.0	-45.04	355.69	6.24	-38.80
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018353584	0	45	0.0	-33.57	341.99	7.19	-26.38
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018353585	0	47	0.0	-39.21	349.09	6.42	-32.79
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018353586	0	48	0.0	-34.73	359.85	7.44	-27.29
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018353587	0	48	0.0	-39.77	372.58	7.27	-32.50
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018353588	0	54	0.0	-41.60	406.70	9.23	-32.37
CSC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353589	0	44	0.0	-36.38	345.97	8.21	-28.17
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018353590	0	47	0.0	-37.82	359.72	9.24	-28.58
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018353591	0	47	0.0	-33.28	365.11	9.55	-23.73
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018353592	0	47	0.0	-34.02	371.34	9.60	-24.42
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018353593	0	48	0.0	-35.92	369.19	8.25	-27.67
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018353594	0	44	0.0	-38.65	360.17	7.07	-31.58
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018353595	0	46	0.0	-39.70	379.82	9.14	-30.56
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300018353596	0	53	0.0	-39.08	401.98	10.25	-28.83
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=C2)C=N1	REAL300018353597	0	53	0.0	-41.60	406.34	10.88	-30.72
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018353598	0	54	0.0	-32.53	400.72	11.22	-21.31
CC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300018353600	0	46	0.0	-37.60	360.85	8.57	-29.03
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353601	0	46	0.0	-34.01	360.71	9.20	-24.81
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353602	0	50	0.0	-37.77	385.83	8.31	-29.46
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353603	0	51	0.0	-34.71	380.02	7.76	-26.95
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300018353604	0	43	0.0	-34.67	366.45	9.37	-25.30
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018353605	0	43	0.0	-42.83	348.42	6.41	-36.42
CN1C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=NC2=C1CCCC2	REAL300018353606	0	50	0.0	-40.22	368.39	8.00	-32.22
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018353607	0	45	0.0	-37.32	347.29	7.78	-29.54
COC1=NC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1C	REAL300018353608	0	46	0.0	-39.51	355.60	4.81	-34.70
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018353609	0	43	0.0	-44.97	347.21	8.20	-36.77
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018353610	0	48	0.0	-32.99	352.87	7.34	-25.65
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353611	0	47	0.0	-32.42	372.47	7.99	-24.43
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018353612	0	47	0.0	-36.14	352.57	8.25	-27.89
CCC(C)N1N=CC=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353613	0	49	0.0	-33.14	366.37	7.10	-26.04
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018353614	0	53	0.0	-33.05	390.40	8.25	-24.80
COC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300018353615	0	56	0.0	-31.94	402.13	9.02	-22.92
CN1C=C(Br)N=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353616	0	40	0.0	-29.69	327.50	6.20	-23.49
COC1=CC(C)=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=N1	REAL300018353617	0	46	0.0	-34.65	350.08	4.48	-30.17
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018353618	1	42	0.0	-31.76	339.96	6.87	-24.89
COC1=CC=CC(C2CC([NH2+]C(CC3CCOCC3)C(=O)[O-])C2)=C1	REAL300018353619	0	51	0.0	-37.36	376.85	8.34	-29.02
CC1=NOC(C2CC([NH2+]C(CC3CCOCC3)C(=O)[O-])C2)=N1	REAL300018353620	0	45	0.0	-49.61	332.55	4.20	-45.41
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(C2CCOCC2)C1	REAL300018353621	0	51	0.0	-38.09	364.95	6.98	-31.11
O=C([O-])C(CC1CCOCC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018353622	0	47	0.0	-39.99	364.08	7.34	-32.65
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018353623	0	53	0.0	-34.09	399.74	10.79	-23.30
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353624	0	50	0.0	-37.12	401.97	7.97	-29.15
COC1=CC=C(CC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300018353625	0	53	0.0	-32.32	383.55	8.41	-23.91
CCC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=NN1CC	REAL300018353626	0	49	0.0	-32.44	367.98	7.19	-25.25
CC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300018353627	0	43	0.0	-28.25	347.96	7.04	-21.21
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353628	0	46	0.0	-38.05	361.82	8.79	-29.26
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018353629	0	46	0.0	-40.09	371.22	8.21	-31.88
COC1=CC=C(CCC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])C(C)=C1	REAL300018353630	0	56	0.0	-35.75	403.39	9.37	-26.38
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC2CCCCCC2C1	REAL300018353631	0	53	0.0	-34.67	363.61	9.06	-25.61
CC1CCC([NH2+]C(CC2CCOCC2)C(=O)[O-])CC2=CC=CC=C21	REAL300018353632	0	53	0.0	-39.87	369.22	9.68	-30.19
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018353633	0	47	0.0	-35.95	374.23	9.70	-26.25
CCOC1=CC(CCC(C)[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1O	REAL300018353634	0	57	0.0	-42.09	422.07	7.48	-34.61
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018353635	0	46	0.0	-35.63	362.90	9.82	-25.81
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300018353636	0	51	0.0	-36.26	411.28	10.55	-25.71
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3CCOCC3)C(=O)[O-])C=C2)=C1	REAL300018353637	0	55	0.0	-38.96	424.06	9.34	-29.62
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353638	0	55	0.0	-38.60	427.96	10.05	-28.55
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300018353639	0	44	0.0	-36.44	362.16	8.65	-27.79
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018353640	0	48	0.0	-36.11	362.00	7.51	-28.60
CC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300018353641	0	46	0.0	-31.54	367.58	9.37	-22.17
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018353642	0	46	0.0	-39.67	360.37	5.36	-34.31
COC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1OCCO	REAL300018353643	0	52	0.0	-42.07	400.27	4.46	-37.61
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018353644	0	45	0.0	-38.30	347.13	7.82	-30.48
COC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300018353645	0	59	0.0	-41.22	443.82	7.98	-33.24
CC1=CC2=CC=CC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=C2O1	REAL300018353646	0	46	0.0	-38.71	357.85	8.42	-30.29
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018353647	0	43	0.0	-31.62	351.83	8.31	-23.31
CC(C)OC1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1F	REAL300018353648	0	50	0.0	-35.55	381.66	8.28	-27.27
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1	REAL300018353649	0	53	0.0	-35.35	393.85	8.28	-27.07
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=NN1CC(F)F	REAL300018353650	0	43	0.0	-36.46	337.51	5.83	-30.63
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018353652	0	47	0.0	-38.17	371.38	8.63	-29.54
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018353653	0	47	0.0	-36.90	354.36	7.02	-29.88
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018353654	0	43	0.0	-41.85	342.39	6.24	-35.61
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018353655	0	44	0.0	-42.32	354.21	6.86	-35.46
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300018353656	0	45	0.0	-35.19	369.70	8.40	-26.79
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018353657	0	50	0.0	-37.29	374.08	7.77	-29.52
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018353658	0	43	0.0	-40.41	342.39	7.66	-32.75
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018353659	0	43	0.0	-35.08	349.83	8.03	-27.05
COC1=CC=CC(CN2CCC([NH2+]C(CC3CCOCC3)C(=O)[O-])CC2)=C1	REAL300018353660	0	59	0.0	-38.19	423.94	7.07	-31.12
COC1=CC=C2SC(C[NH2+]C(CC3CCOCC3)C(=O)[O-])=NC2=C1	REAL300018353661	0	46	0.0	-32.38	369.48	6.15	-26.23
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CN=C2C=C(Br)C=CN12	REAL300018353662	0	43	0.0	-39.99	356.78	8.31	-31.68
CN1N=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1C1=CC=CO1	REAL300018353663	0	47	0.0	-39.39	369.92	6.74	-32.65
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018353664	0	56	0.0	-32.65	407.60	11.00	-21.65
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353665	0	50	0.0	-36.96	376.39	7.63	-29.33
COC1=CC=CC=C1C=CC[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353666	0	48	0.0	-35.69	367.71	8.07	-27.62
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018353667	0	48	0.0	-38.91	375.32	7.69	-31.22
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353668	0	47	0.0	-40.47	369.06	6.44	-34.03
CC(C)(C)N1CCCC([NH2+]C(CC2CCOCC2)C(=O)[O-])C1	REAL300018353669	0	54	0.0	-36.12	371.69	5.76	-30.36
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018353670	0	53	0.0	-35.93	411.41	11.73	-24.20
O=C([O-])C(CC1CCOCC1)[NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018353671	0	51	0.0	-40.12	393.25	8.83	-31.29
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018353672	0	49	0.0	-38.31	377.88	9.02	-29.29
CC1=CC=C(C2CCC([NH2+]C(CC3CCOCC3)C(=O)[O-])CC2)C=C1	REAL300018353673	0	56	0.0	-32.59	398.44	11.15	-21.44
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018353674	0	44	0.0	-36.04	368.17	7.69	-28.35
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300018353675	0	50	0.0	-38.09	397.19	10.09	-28.00
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018353676	0	43	0.0	-36.42	345.22	8.79	-27.63
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018353677	0	49	0.0	-38.75	378.04	8.93	-29.82
CC1=CC=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1C(F)(F)F	REAL300018353678	0	46	0.0	-37.38	352.03	8.83	-28.55
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018353679	0	43	0.0	-36.47	332.39	6.06	-30.41
CCC(C)C1=CC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=C1	REAL300018353680	0	52	0.0	-34.11	387.29	9.86	-24.25
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC2(C1)CCOCC2	REAL300018353681	0	51	0.0	-37.93	358.23	6.63	-31.30
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353682	0	53	0.0	-40.68	405.60	9.86	-30.82
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018353683	0	50	0.0	-32.83	363.64	9.78	-23.05
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353684	0	47	0.0	-38.05	366.84	9.27	-28.78
COC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=CC(Br)=C1F	REAL300018353685	0	44	0.0	-38.93	365.00	7.34	-31.59
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018353686	0	46	0.0	-45.75	358.12	7.11	-38.64
CC1=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300018353687	0	49	0.0	-31.92	358.94	9.80	-22.12
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353688	0	58	0.0	-34.52	428.94	8.78	-25.74
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300018353689	0	46	0.0	-33.31	370.31	9.97	-23.34
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353690	0	48	0.0	-34.51	366.69	6.60	-27.91
O=C([O-])C(CC1CCOCC1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018353691	0	53	0.0	-36.32	393.74	4.36	-31.96
CCCN1N=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=C1C	REAL300018353692	0	49	0.0	-32.20	370.14	7.04	-25.16
CC1=CC(C[NH2+]C(CC2CCOCC2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300018353693	0	49	0.0	-38.92	377.45	8.54	-30.38
O=C([O-])C(CC1CCOCC1)[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018353694	0	50	0.0	-37.03	372.23	9.87	-27.16
CCCN1N=C(C)C=C1C[NH2+]C(CC1CCOCC1)C(=O)[O-]	REAL300018353695	0	49	0.0	-36.52	374.59	7.08	-29.44
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCOCC2)C(=O)[O-])O1	REAL300018353696	1	48	0.0	-37.38	367.49	4.91	-32.47
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)O1	REAL300018353697	0	43	0.0	-65.09	351.30	12.31	-52.78
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH+]2CCC(C(F)(F)F)CC2)C=C1	REAL300018353698	0	50	0.0	-72.13	399.96	13.31	-58.82
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCC(C(F)(F)F)CC3)O2)C=C1	REAL300018353699	0	43	0.0	-83.83	355.04	11.65	-72.18
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCC(C(F)(F)F)CC3)O2)C=C1	REAL300018353700	0	43	0.0	-83.83	355.04	11.65	-72.18
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH+]1CCC(C(F)(F)F)CC1	REAL300018353701	0	43	0.0	-58.22	351.47	11.02	-47.20
CC1=CC(C[NH+]2CCC(C(F)(F)F)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018353702	0	46	0.0	-82.98	369.37	11.52	-71.46
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH+]1CCC(C(F)(F)F)CC1	REAL300018353703	0	45	0.0	-72.96	353.85	9.18	-63.78
O=C([O-])COC1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)C=C1	REAL300018353704	0	40	0.0	-78.90	325.63	10.03	-68.87
O=C([O-])COC1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)C=C1	REAL300018353705	0	40	0.0	-78.90	325.63	10.03	-68.87
CC(OC1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)C=C1)C(=O)[O-]	REAL300018353706	0	43	0.0	-79.76	343.50	10.63	-69.13
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH+]2CCC(C(F)(F)F)CC2)C=C1	REAL300018353707	0	43	0.0	-78.05	346.24	9.43	-68.62
O=C([O-])C=CC1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)O1	REAL300018353708	0	37	0.0	-82.63	312.42	7.90	-74.73
O=C([O-])C1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)C=C1Cl	REAL300018353709	0	36	0.0	-80.29	306.67	10.09	-70.20
O=C([O-])C1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)C(C(F)(F)F)=C1	REAL300018353710	1	39	0.0	-73.28	322.69	10.59	-62.69
O=C([O-])C1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)C=C1Br	REAL300018353711	1	36	0.0	-79.04	310.40	10.18	-68.86
CCC1=C(C(=O)[O-])C=C(C[NH+]2CCC(C(F)(F)F)CC2)O1	REAL300018353712	0	39	0.0	-69.92	317.64	9.56	-60.36
O=C([O-])CN1C=C(C[NH+]2CCC(C(F)(F)F)CC2)C(C2=CC=CC=C2)=N1	REAL300018353713	0	46	0.0	-71.54	375.49	11.38	-60.16
O=C([O-])CCC1=CC=C(C[NH+]2CCC(C(F)(F)F)CC2)O1	REAL300018353714	0	39	0.0	-71.35	319.94	9.68	-61.67
O=C([O-])C1=CC(C[NH+]2CCC(C(F)(F)F)CC2)=CC=C1F	REAL300018353715	0	36	0.0	-77.96	298.71	9.73	-68.23
O=C([O-])C1=CC2=C(SC(C[NH+]3CCC(C(F)(F)F)CC3)=C2)S1	REAL300018353716	0	36	0.0	-81.93	323.24	10.49	-71.44
O=C([O-])C1=C2N=CC(C[NH+]3CCC(C(F)(F)F)CC3)=CN2N=C1	REAL300018353717	1	38	0.0	-99.62	318.04	8.68	-90.94
CC(OC1=CC=C(Cl)C=C1C[NH+]1CCC(C(F)(F)F)CC1)C(=O)[O-]	REAL300018353718	1	43	0.0	-51.69	354.40	11.25	-40.44
O=C([O-])C1=CN2C(C[NH+]3CCC(C(F)(F)F)CC3)=CN=C2C=C1	REAL300018353720	1	39	0.0	-65.31	322.49	10.13	-55.18
CC1=CC(C(=O)[O-])=NC=C1C[NH+]1CCC(C(F)(F)F)CC1	REAL300018353721	0	38	0.0	-84.70	306.79	8.57	-76.13
O=C([O-])C1=CN=C2C(C[NH+]3CCC(C(F)(F)F)CC3)=CC=CN12	REAL300018353722	0	39	0.0	-82.71	320.87	9.49	-73.22
O=C([O-])C1=CC=CC(C[NH+]2CCC(C(F)(F)F)CC2)=C1Br	REAL300018353723	1	36	0.0	-69.08	306.74	10.23	-58.85
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH+]2CCC(C(F)(F)F)CC2)C1	REAL300018353725	1	43	0.0	-80.57	332.81	9.33	-71.24
O=C([O-])C1=CC(C[NH+]2CCC(C(F)(F)F)CC2)=CC(C(F)(F)F)=C1	REAL300018353726	1	39	0.0	-70.83	332.96	10.68	-60.15
O=C([O-])C1=CC=C(O)C(C[NH+]2CCC(C(F)(F)F)CC2)=C1	REAL300018353727	0	37	0.0	-68.53	303.72	7.22	-61.31
O=C([O-])C1=CC(Br)=CC(C[NH+]2CCC(C(F)(F)F)CC2)=C1	REAL300018353728	1	36	0.0	-69.66	315.55	10.30	-59.36
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(C(=O)[O-])C=C1	REAL300018353729	0	39	0.0	-80.69	330.37	11.99	-68.70
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(C(=O)[O-])C=C1	REAL300018353729	1	39	0.0	-80.88	321.72	11.62	-69.26
C[N@H+](CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353730	0	46	0.0	-62.73	379.57	14.23	-48.50
C[N@@H+](CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353730	1	46	0.0	-63.81	387.17	14.55	-49.26
CC1=C(C(=O)[O-])C=C(C[N@@H+](C)CC2=CSC3=CC=CC=C23)O1	REAL300018353731	0	39	0.0	-69.85	325.91	10.76	-59.09
CC1=C(C(=O)[O-])C=C(C[N@H+](C)CC2=CSC3=CC=CC=C23)O1	REAL300018353731	1	39	0.0	-69.06	333.57	11.07	-57.99
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=C(C(=O)[O-])OC=C1	REAL300018353732	0	36	0.0	-46.46	309.80	10.33	-36.13
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=C(C(=O)[O-])OC=C1	REAL300018353732	1	36	0.0	-46.36	301.27	9.92	-36.44
C[N@H+](CC1=CC(C(=O)[O-])=CO1)CC1=CSC2=CC=CC=C12	REAL300018353733	0	36	0.0	-70.10	306.43	9.98	-60.12
C[N@@H+](CC1=CC(C(=O)[O-])=CO1)CC1=CSC2=CC=CC=C12	REAL300018353733	1	36	0.0	-69.41	314.00	10.28	-59.13
C[N@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353735	0	36	0.0	-70.29	306.16	10.24	-60.05
C[N@@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353735	1	36	0.0	-70.71	313.75	10.53	-60.18
C[N@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353736	0	36	0.0	-70.29	306.16	10.24	-60.05
C[N@@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CSC2=CC=CC=C12	REAL300018353736	1	36	0.0	-70.71	313.75	10.53	-60.18
C[N@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1=CSC2=CC=CC=C12	REAL300018353737	0	46	0.0	-82.92	383.30	13.59	-69.33
C[N@@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1=CSC2=CC=CC=C12	REAL300018353737	1	46	0.0	-82.97	390.92	13.88	-69.09
C[N@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1=CSC2=CC=CC=C12	REAL300018353738	0	46	0.0	-82.92	383.30	13.59	-69.33
C[N@@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1=CSC2=CC=CC=C12	REAL300018353738	1	46	0.0	-82.97	390.92	13.88	-69.09
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CC=CC(C(=O)[O-])=C1	REAL300018353739	0	39	0.0	-72.16	330.39	12.00	-60.16
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CC=CC(C(=O)[O-])=C1	REAL300018353739	1	39	0.0	-71.93	321.61	11.61	-60.32
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018353740	0	46	0.0	-57.05	387.13	13.25	-43.80
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018353740	1	46	0.0	-56.95	378.29	12.82	-44.13
C[N@H+](CC1=CC(C(=O)[O-])=NN1)CC1=CSC2=CC=CC=C12	REAL300018353741	1	36	0.0	-78.81	304.16	8.04	-70.77
C[N@@H+](CC1=CC(C(=O)[O-])=NN1)CC1=CSC2=CC=CC=C12	REAL300018353741	1	36	0.0	-79.34	312.62	8.60	-70.74
CC1=CC(C[N@H+](C)CC2=CSC3=CC=CC=C23)=CC(C)=C1OCC(=O)[O-]	REAL300018353742	0	49	0.0	-82.83	403.16	13.74	-69.09
CC1=CC(C[N@@H+](C)CC2=CSC3=CC=CC=C23)=CC(C)=C1OCC(=O)[O-]	REAL300018353742	1	49	0.0	-83.07	396.90	13.44	-69.63
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+](C)CC1=CSC2=CC=CC=C12	REAL300018353743	0	48	0.0	-73.10	390.13	11.52	-61.58
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+](C)CC1=CSC2=CC=CC=C12	REAL300018353743	1	48	0.0	-73.22	381.85	11.14	-62.08
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018353744	0	43	0.0	-78.83	361.44	12.28	-66.55
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018353744	1	43	0.0	-78.95	352.80	11.89	-67.06
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018353745	0	43	0.0	-78.83	361.44	12.28	-66.55
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018353745	1	43	0.0	-78.95	352.80	11.89	-67.06
C[N@H+](CC1=CSC(C(=O)[O-])=C1)CC1=CSC2=CC=CC=C12	REAL300018353746	0	36	0.0	-71.36	312.53	10.72	-60.64
C[N@@H+](CC1=CSC(C(=O)[O-])=C1)CC1=CSC2=CC=CC=C12	REAL300018353746	1	36	0.0	-70.72	321.24	11.06	-59.66
C[N@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CSC2=CC=CC=C12	REAL300018353747	1	35	0.0	-76.80	300.64	9.25	-67.55
C[N@@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CSC2=CC=CC=C12	REAL300018353747	1	35	0.0	-76.43	308.26	9.58	-66.85
C[N@H+](CC1=CSC2=CC=CC=C12)CC1=CC=CC(C(=O)[O-])=N1	REAL300018353748	0	38	0.0	-71.34	326.84	10.15	-61.19
C[N@@H+](CC1=CSC2=CC=CC=C12)CC1=CC=CC(C(=O)[O-])=N1	REAL300018353748	1	38	0.0	-70.20	318.17	10.13	-60.07
C[N@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CSC2=CC=CC=C12	REAL300018353749	1	35	0.0	-76.80	300.64	9.25	-67.55
C[N@@H+](CC1=CC(C(=O)[O-])=NO1)CC1=CSC2=CC=CC=C12	REAL300018353749	1	35	0.0	-76.43	308.26	9.58	-66.85
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CC1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018353832	0	53	0.0	-85.13	433.04	14.33	-70.80
O=C([O-])CCC[NH+]1CCC(NC(C2=CC=CC=C2)C2=CC=C(F)C=C2)CC1	REAL300018353833	0	54	0.0	-58.15	412.88	12.14	-46.01
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1	REAL300018353834	0	47	0.0	-81.14	388.94	12.78	-68.36
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1	REAL300018353835	0	47	0.0	-81.14	388.94	12.78	-68.36
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)=CS1	REAL300018353836	0	40	0.0	-71.01	348.38	11.56	-59.45
O=C([O-])CC1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)CC1	REAL300018353837	0	49	0.0	-64.36	367.56	12.69	-51.67
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)=N1	REAL300018353839	1	42	0.0	-75.62	353.72	10.67	-64.95
CC([NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1)C1CC1C(=O)[O-]	REAL300018353841	0	43	0.0	-60.67	346.33	11.52	-49.15
O=C([O-])CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353842	0	43	0.0	-68.39	338.85	11.17	-57.22
CC(OC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018353843	0	50	0.0	-82.22	406.82	13.38	-68.84
CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)CCC1C(=O)[O-]	REAL300018353844	0	49	0.0	-72.89	367.09	12.12	-60.77
O=C([O-])C=CC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353845	1	44	0.0	-85.82	375.19	10.60	-75.22
O=C([O-])C(F)(F)C1CCCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353846	0	49	0.0	-67.05	383.87	12.59	-54.46
O=C([O-])C(F)(F)C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353847	0	46	0.0	-66.10	370.90	12.18	-53.92
CC1=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C(C(=O)[O-])O1	REAL300018353848	1	43	0.0	-72.89	356.49	11.54	-61.35
CC1=C(C(=O)[O-])OC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353849	1	43	0.0	-74.28	358.65	11.59	-62.69
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=C1Cl	REAL300018353850	0	43	0.0	-81.92	370.35	12.88	-69.04
CC(CC(C)(C)CC(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353851	0	51	0.0	-60.85	370.36	12.28	-48.57
CC1C(CC(=O)[O-])CCC1[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353852	0	49	0.0	-62.82	365.92	12.72	-50.10
CC1(C(=O)[O-])CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353853	0	43	0.0	-63.36	338.57	10.91	-52.45
CN1C=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C(C(=O)[O-])=N1	REAL300018353854	1	43	0.0	-51.02	357.83	10.33	-40.69
CCC1=C(C(=O)[O-])C=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353855	1	46	0.0	-70.59	380.41	12.25	-58.34
O=C([O-])CCCC1CCCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353856	0	55	0.0	-76.20	417.92	14.03	-62.17
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353857	0	54	0.0	-73.14	410.21	13.42	-59.72
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)N=C1	REAL300018353858	1	42	0.0	-74.46	353.01	10.66	-63.80
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353859	0	50	0.0	-57.67	394.89	13.89	-43.78
CN1N=C(C(=O)[O-])C=C1C[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353860	1	43	0.0	-85.53	359.70	10.16	-75.37
O=C([O-])CCC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)O1	REAL300018353861	1	46	0.0	-71.75	382.63	12.38	-59.37
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)=CC=C1F	REAL300018353862	0	43	0.0	-82.96	362.39	12.52	-70.44
O=C([O-])CCC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353863	0	46	0.0	-71.75	361.71	12.01	-59.74
O=C([O-])C1=CC2=C(SC(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(F)C=C3)=C2)S1	REAL300018353864	0	43	0.0	-83.97	386.12	13.18	-70.79
O=C([O-])C1=C2N=CC(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(F)C=C3)=CN2N=C1	REAL300018353865	1	45	0.0	-100.49	380.64	11.45	-89.04
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C=N1	REAL300018353866	0	42	0.0	-85.38	353.59	10.71	-74.67
O=C([O-])C1=CN2C(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(F)C=C3)=CN=C2C=C1	REAL300018353867	1	46	0.0	-63.01	384.68	12.91	-50.10
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C(C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018353868	0	45	0.0	-82.52	363.68	11.11	-71.41
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353869	0	46	0.0	-75.57	362.37	12.15	-63.42
O=C([O-])C1=CN=C2C(C[NH2+]C(C3=CC=CC=C3)C3=CC=C(F)C=C3)=CC=CN12	REAL300018353870	0	46	0.0	-85.54	383.57	12.21	-73.33
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)C1	REAL300018353872	1	50	0.0	-82.43	405.69	12.39	-70.04
O=C([O-])C1=CC=C(O)C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(F)C=C2)=C1	REAL300018353873	0	44	0.0	-72.61	365.47	9.89	-62.72
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300018353874	0	43	0.0	-88.07	359.23	7.93	-80.14
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)=C1	REAL300018353875	1	50	0.0	-74.52	415.38	10.44	-64.08
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=C(C)O2)=C1	REAL300018353876	1	43	0.0	-75.97	360.29	6.90	-69.07
CCNC(=O)C1=CC=CC(C[NH2+]CC2=C(C(=O)[O-])OC=C2)=C1	REAL300018353877	0	40	0.0	-47.64	336.96	6.20	-41.44
CCNC(=O)C1=CC=CC(C[NH2+]C2CCN(CC(=O)[O-])CC2)=C1	REAL300018353878	0	48	0.0	-69.59	371.21	5.13	-64.46
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=CO2)=C1	REAL300018353879	1	40	0.0	-76.48	342.30	6.18	-70.30
CCNC(=O)C1=CC=CC(C[NH2+]C2CCC(C(=O)[O-])CC2)=C1	REAL300018353880	0	46	0.0	-74.79	358.42	7.32	-67.47
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1	REAL300018353882	1	40	0.0	-80.37	342.04	6.43	-73.94
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)=C1	REAL300018353883	1	40	0.0	-80.37	342.04	6.43	-73.94
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018353884	1	50	0.0	-91.34	419.17	9.78	-81.56
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018353885	1	50	0.0	-91.34	419.17	9.78	-81.56
CCNC(=O)C1=CC=CC(C[NH2+]C2CCC(C(=O)[O-])CC2)=C1	REAL300018353886	0	46	0.0	-74.79	358.42	7.32	-67.47
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018353887	0	43	0.0	-83.21	359.24	7.92	-75.29
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])=C1	REAL300018353888	0	50	0.0	-69.09	414.03	9.16	-59.93
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=NN2)=C1	REAL300018353889	1	40	0.0	-85.15	340.64	4.37	-80.78
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300018353890	0	53	0.0	-89.53	434.39	9.75	-79.78
CCNC(=O)C1=CC=CC(CNC2CC[NH+](CCCC(=O)[O-])CC2)=C1	REAL300018353891	0	54	0.0	-60.42	415.13	7.50	-52.92
CCNC(=O)C1=CC=CC(C[NH2+]CC2=C(C)N(CCC(=O)[O-])N=C2C)=C1	REAL300018353892	0	52	0.0	-80.18	423.60	7.66	-72.52
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018353893	0	47	0.0	-85.59	390.29	8.21	-77.38
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018353894	0	47	0.0	-85.59	390.29	8.21	-77.38
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CSC(C(=O)[O-])=C2)=C1	REAL300018353895	0	40	0.0	-76.01	349.77	6.98	-69.03
CCNC(=O)C1=CC=CC(C[NH2+]C2CCC(CC(=O)[O-])CC2)=C1	REAL300018353896	0	49	0.0	-70.68	375.49	7.94	-62.74
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C(=O)[O-])=N2)=C1	REAL300018353898	1	42	0.0	-82.07	355.07	6.10	-75.97
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(OC(C)C(=O)[O-])C=C2)=C1	REAL300018353900	0	50	0.0	-85.99	408.17	8.80	-77.19
CCNC(=O)C1=CC=CC(C[NH2+]CC2=C3C=C(C(=O)[O-])OC3=C(OC)C=C2)=C1	REAL300018353901	0	50	0.0	-81.08	417.81	7.93	-73.15
CCNC(=O)C1=CC=CC(C[NH2+]C2CCC(C(=O)[O-])C(C)C2)=C1	REAL300018353902	0	49	0.0	-76.21	368.54	7.56	-68.65
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C=CC(=O)[O-])O2)=C1	REAL300018353903	1	44	0.0	-91.31	376.54	6.03	-85.28
CCNC(=O)C1=CC=CC(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)=C1	REAL300018353904	0	49	0.0	-70.92	385.19	8.03	-62.89
CCNC(=O)C1=CC=CC(C[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)=C1	REAL300018353905	0	46	0.0	-72.73	370.04	7.61	-65.12
CCNC(=O)C1=CC=CC(C[NH2+]CC2=C(C)OC(C(=O)[O-])=C2)=C1	REAL300018353906	0	43	0.0	-83.47	361.06	7.08	-76.39
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C)=C(C(=O)[O-])O2)=C1	REAL300018353907	1	43	0.0	-80.80	360.01	7.02	-73.78
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300018353908	0	43	0.0	-87.72	371.74	8.32	-79.40
CCNC(=O)C1=CC=CC(C[NH2+]C(C)CC(C)(C)CC(=O)[O-])=C1	REAL300018353909	0	51	0.0	-62.69	377.48	8.23	-54.46
CCNC(=O)C1=CC=CC(C[NH2+]C2CCC(CC(=O)[O-])C2C)=C1	REAL300018353910	0	49	0.0	-75.93	379.06	8.01	-67.92
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)=C1	REAL300018353911	0	46	0.0	-81.77	387.67	8.99	-72.78
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CN(C)N=C2C(=O)[O-])=C1	REAL300018353912	0	43	0.0	-55.83	359.18	5.76	-50.07
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300018353913	0	43	0.0	-86.23	375.48	8.41	-77.82
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=C(CC)O2)=C1	REAL300018353914	1	46	0.0	-76.31	381.77	7.68	-68.63
CCNC(=O)C1=CC=CC(C[NH2+]C2CCCC(CCCC(=O)[O-])C2)=C1	REAL300018353915	0	55	0.0	-78.68	419.34	9.48	-69.20
CCNC(=O)C1=CC=CC(C[NH2+]C(C)CCCC(C)(C)C(=O)[O-])=C1	REAL300018353916	0	54	0.0	-77.63	411.72	8.88	-68.75
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=C1	REAL300018353917	0	53	0.0	-77.55	438.51	9.51	-68.04
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=C1	REAL300018353918	1	42	0.0	-80.36	354.37	6.10	-74.26
CCNC(=O)C1=CC=CC(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)=C1	REAL300018353919	0	50	0.0	-57.01	400.85	9.45	-47.56
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=NN2C)=C1	REAL300018353920	1	43	0.0	-88.51	361.09	5.59	-82.92
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(CCC(=O)[O-])O2)=C1	REAL300018353921	1	46	0.0	-79.42	384.03	7.81	-71.61
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300018353922	0	43	0.0	-89.33	363.78	7.95	-81.38
CCNC(=O)C1=CC=CC(C[NH2+]C2CC(CCC(=O)[O-])C2)=C1	REAL300018353923	0	46	0.0	-72.83	368.16	7.79	-65.04
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)=C1	REAL300018353924	0	43	0.0	-88.40	387.47	8.62	-79.78
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)=C1	REAL300018353925	1	45	0.0	-106.86	382.03	6.88	-99.98
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])N=C2)=C1	REAL300018353926	0	42	0.0	-91.35	354.95	6.13	-85.22
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])=C1	REAL300018353927	1	50	0.0	-54.28	423.35	9.34	-44.94
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)=C1	REAL300018353929	0	46	0.0	-75.85	386.08	8.35	-67.50
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CN=C(C(=O)[O-])C=C2C)=C1	REAL300018353930	0	45	0.0	-91.72	370.16	6.75	-84.97
CCNC(=O)C1=CC=CC(C[NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)=C1	REAL300018353931	0	46	0.0	-77.01	362.24	7.61	-69.40
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)=C1	REAL300018353932	0	46	0.0	-91.92	384.91	7.64	-84.28
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2Br)=C1	REAL300018353933	1	43	0.0	-70.13	370.39	8.35	-61.78
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)=C1	REAL300018353935	1	50	0.0	-90.89	406.31	7.83	-83.06
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300018353936	0	46	0.0	-76.51	398.28	8.92	-67.59
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300018353937	0	44	0.0	-74.13	366.82	5.33	-68.80
CCNC(=O)C1=CC=CC(C[NH2+]CC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300018353938	0	43	0.0	-75.22	380.53	8.53	-66.69
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2)C=C1OC	REAL300018353939	0	44	0.0	-89.15	361.87	8.94	-80.21
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C=C1OC	REAL300018353940	0	51	0.0	-71.27	418.03	11.45	-59.82
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=C(C)O2)C=C1OC	REAL300018353941	0	44	0.0	-77.25	362.92	7.91	-69.34
CCOC1=CC=C(C[NH2+]CC2=C(C(=O)[O-])OC=C2)C=C1OC	REAL300018353942	0	41	0.0	-50.64	339.59	7.20	-43.44
CCOC1=CC=C(C[NH2+]C2CCN(CC(=O)[O-])CC2)C=C1OC	REAL300018353943	0	49	0.0	-73.08	374.30	6.18	-66.90
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=CO2)C=C1OC	REAL300018353944	1	41	0.0	-77.72	344.94	7.18	-70.54
CCOC1=CC=C(C[NH2+]C2CCC(C(=O)[O-])CC2)C=C1OC	REAL300018353945	0	47	0.0	-75.00	361.05	8.32	-66.68
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018353947	0	41	0.0	-78.66	344.68	7.43	-71.23
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C=C1OC	REAL300018353948	0	41	0.0	-78.66	344.68	7.43	-71.23
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C=C1OC	REAL300018353949	0	51	0.0	-91.01	421.81	10.78	-80.23
CCOC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C=C1OC	REAL300018353950	0	51	0.0	-91.01	421.81	10.78	-80.23
CCOC1=CC=C(C[NH2+]C2CCC(C(=O)[O-])CC2)C=C1OC	REAL300018353951	0	47	0.0	-75.00	361.05	8.32	-66.68
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300018353952	0	44	0.0	-80.64	361.87	8.93	-71.71
CCOC1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C=C1OC	REAL300018353953	0	51	0.0	-61.76	416.66	10.17	-51.59
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=NN2)C=C1OC	REAL300018353954	0	41	0.0	-87.13	343.28	5.37	-81.76
CCOC1=CC=C(C[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C=C1OC	REAL300018353955	0	54	0.0	-91.03	437.03	10.75	-80.28
CCOC1=CC=C(CNC2CC[NH+](CCCC(=O)[O-])CC2)C=C1OC	REAL300018353956	0	55	0.0	-59.30	417.78	8.50	-50.80
CCOC1=CC=C(C[NH2+]CC2=C(C)N(CCC(=O)[O-])N=C2C)C=C1OC	REAL300018353957	0	53	0.0	-80.69	425.23	8.64	-72.05
CCOC1=CC=C(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C=C1OC	REAL300018353958	0	48	0.0	-86.85	392.93	9.21	-77.64
CCOC1=CC=C(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C=C1OC	REAL300018353959	0	48	0.0	-86.85	392.93	9.21	-77.64
CCOC1=CC=C(C[NH2+]CC2=CSC(C(=O)[O-])=C2)C=C1OC	REAL300018353960	0	41	0.0	-78.87	352.41	7.99	-70.88
CCOC1=CC=C(C[NH2+]C2CCC(CC(=O)[O-])CC2)C=C1OC	REAL300018353961	0	50	0.0	-72.30	378.12	8.94	-63.36
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=NO2)C=C1OC	REAL300018353962	1	40	0.0	-84.82	339.09	6.47	-78.35
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C(=O)[O-])=N2)C=C1OC	REAL300018353963	0	43	0.0	-77.39	357.71	7.11	-70.28
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=NO2)C=C1OC	REAL300018353964	1	40	0.0	-84.82	339.09	6.47	-78.35
CCOC1=CC=C(C[NH2+]CC2=CC=C(OC(C)C(=O)[O-])C=C2)C=C1OC	REAL300018353965	0	51	0.0	-87.74	410.81	9.81	-77.93
CCOC1=CC=C(C[NH2+]CC2=C3C=C(C(=O)[O-])OC3=C(OC)C=C2)C=C1OC	REAL300018353966	0	51	0.0	-86.29	420.45	8.93	-77.36
CCOC1=CC=C(C[NH2+]C2CCC(C(=O)[O-])C(C)C2)C=C1OC	REAL300018353967	0	50	0.0	-76.78	371.17	8.57	-68.21
CCOC1=CC=C(C[NH2+]CC2=CC=C(C=CC(=O)[O-])O2)C=C1OC	REAL300018353968	0	45	0.0	-89.64	379.17	7.02	-82.62
CCOC1=CC=C(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)C=C1OC	REAL300018353969	0	50	0.0	-72.90	390.82	9.11	-63.79
CCOC1=CC=C(C[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)C=C1OC	REAL300018353970	0	47	0.0	-71.22	372.29	8.57	-62.65
CCOC1=CC=C(C[NH2+]CC2=C(C)OC(C(=O)[O-])=C2)C=C1OC	REAL300018353971	0	44	0.0	-82.31	363.67	8.09	-74.22
CCOC1=CC=C(C[NH2+]CC2=CC(C)=C(C(=O)[O-])O2)C=C1OC	REAL300018353972	0	44	0.0	-78.93	362.65	8.02	-70.91
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1OC	REAL300018353973	0	44	0.0	-88.40	374.38	9.32	-79.08
CCOC1=CC=C(C[NH2+]C(C)CC(C)(C)CC(=O)[O-])C=C1OC	REAL300018353974	0	52	0.0	-65.26	380.11	9.23	-56.03
CCOC1=CC=C(C[NH2+]C2CCC(CC(=O)[O-])C2C)C=C1OC	REAL300018353975	0	50	0.0	-73.38	377.57	9.40	-63.98
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C=C1OC	REAL300018353976	0	47	0.0	-82.65	390.30	9.99	-72.66
CCOC1=CC=C(C[NH2+]CC2=CN(C)N=C2C(=O)[O-])C=C1OC	REAL300018353977	0	44	0.0	-59.50	361.82	6.76	-52.74
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C(Br)=C2)C=C1OC	REAL300018353978	0	44	0.0	-87.00	378.12	9.42	-77.58
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=C(CC)O2)C=C1OC	REAL300018353979	0	47	0.0	-77.68	384.41	8.69	-68.99
CCOC1=CC=C(C[NH2+]C2CCCC(CCCC(=O)[O-])C2)C=C1OC	REAL300018353980	0	56	0.0	-76.14	415.54	10.69	-65.45
CCOC1=CC=C(C[NH2+]C(C)CCCC(C)(C)C(=O)[O-])C=C1OC	REAL300018353981	0	55	0.0	-78.53	413.77	9.87	-68.66
CCOC1=CC=C(C[NH2+]CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C=C1OC	REAL300018353982	0	54	0.0	-78.13	441.16	10.53	-67.60
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C=C1OC	REAL300018353983	0	43	0.0	-79.46	357.01	7.10	-72.36
CCOC1=CC=C(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1OC	REAL300018353984	0	51	0.0	-56.62	403.49	10.45	-46.17
CCOC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=NN2C)C=C1OC	REAL300018353985	0	44	0.0	-91.67	363.73	6.59	-85.08
CCOC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])O2)C=C1OC	REAL300018353986	1	47	0.0	-78.64	386.67	8.82	-69.82
CCOC1=CC=C(C[NH2+]CC2=CC=C(F)C(C(=O)[O-])=C2)C=C1OC	REAL300018353987	0	44	0.0	-86.91	366.42	8.96	-77.95
CCOC1=CC=C(C[NH2+]C2CC(CCC(=O)[O-])C2)C=C1OC	REAL300018353988	0	47	0.0	-70.31	370.65	8.69	-61.62
CCOC1=CC=C(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C=C1OC	REAL300018353989	0	44	0.0	-89.97	390.11	9.62	-80.35
CCOC1=CC=C(C[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C=C1OC	REAL300018353990	0	46	0.0	-108.12	384.67	7.88	-100.24
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])N=C2)C=C1OC	REAL300018353991	0	43	0.0	-91.90	357.58	7.14	-84.76
CCOC1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])C=C1OC	REAL300018353992	0	51	0.0	-58.56	425.99	10.34	-48.22
CCOC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1OC	REAL300018353993	1	44	0.0	-72.13	372.44	8.98	-63.15
CCOC1=CC=C(C[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)C=C1OC	REAL300018353994	0	47	0.0	-71.47	388.72	9.35	-62.12
CCOC1=CC=C(C[NH2+]CC2=CN=C(C(=O)[O-])C=C2C)C=C1OC	REAL300018353995	0	46	0.0	-91.96	372.80	7.76	-84.20
CCOC1=CC=C(C[NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)C=C1OC	REAL300018353996	0	47	0.0	-76.15	364.89	8.62	-67.53
CCOC1=CC=C(C[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)C=C1OC	REAL300018353997	0	47	0.0	-88.08	387.55	8.64	-79.44
CCOC1=CC=C(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2Br)C=C1OC	REAL300018353998	1	44	0.0	-73.64	373.08	9.35	-64.29
CCOC1=CC=C(C[NH2+]CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1OC	REAL300018353999	1	51	0.0	-76.94	408.45	8.53	-68.41
CCOC1=CC=C(C[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C=C1OC	REAL300018354000	0	51	0.0	-89.81	409.69	8.84	-80.97
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1F	REAL300018376507	0	42	0.0	-31.21	339.14	11.72	-19.49
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376509	0	48	0.0	-31.86	358.85	12.06	-19.80
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC(C)(C)C1	REAL300018376510	0	54	0.0	-33.08	382.74	12.30	-20.78
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376511	0	52	0.0	-37.07	398.99	13.16	-23.91
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(Cl)=C1OC	REAL300018376512	0	47	0.0	-29.76	390.52	10.87	-18.89
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376513	0	46	0.0	-33.39	379.75	13.63	-19.76
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC2=CC=CC=C21	REAL300018376514	0	42	0.0	-33.47	351.12	12.55	-20.92
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376515	0	49	0.0	-31.88	383.04	11.86	-20.02
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21)CC1=CC=C(C(C)(C)C)C=C1	REAL300018376516	0	60	0.0	-32.95	445.32	15.38	-17.57
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1F	REAL300018376517	0	42	0.0	-33.73	341.20	11.78	-21.95
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC2=CC=CC=C21	REAL300018376518	0	43	0.0	-31.09	345.09	11.01	-20.08
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376520	0	48	0.0	-32.10	353.55	11.57	-20.53
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376521	0	51	0.0	-31.50	395.65	13.76	-17.74
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=C2)C=C1	REAL300018376522	0	52	0.0	-32.62	410.11	15.16	-17.46
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC(C)=C1	REAL300018376523	0	45	0.0	-31.09	358.74	12.41	-18.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1[N+](=O)[O-]	REAL300018376524	0	45	0.0	-46.38	367.94	11.75	-34.63
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376525	0	39	0.0	-32.33	345.89	12.02	-20.31
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376526	0	52	0.0	-34.18	410.59	15.16	-19.02
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376527	0	43	0.0	-35.09	351.68	10.59	-24.50
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1OCC	REAL300018376528	0	53	0.0	-35.10	414.88	12.05	-23.05
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376529	0	51	0.0	-32.65	368.42	12.10	-20.55
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376530	0	42	0.0	-38.38	366.41	12.49	-25.89
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=CC2=CC=CC=C21	REAL300018376531	0	39	0.0	-32.49	334.52	11.63	-20.86
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376532	0	42	0.0	-34.78	352.03	10.11	-24.67
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC2=CC=CC=C21	REAL300018376533	0	44	0.0	-32.90	352.37	11.33	-21.57
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376534	0	43	0.0	-34.47	358.42	10.80	-23.67
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376535	0	45	0.0	-39.80	374.43	8.53	-31.27
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376536	0	53	0.0	-33.85	422.71	14.14	-19.71
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376537	0	52	0.0	-34.10	400.80	12.39	-21.71
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376538	0	46	0.0	-35.19	373.88	13.25	-21.94
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376539	0	50	0.0	-31.66	366.95	12.10	-19.56
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300018376540	0	42	0.0	-31.37	347.32	11.70	-19.67
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376542	0	44	0.0	-33.39	348.31	10.85	-22.54
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376543	0	36	0.0	-33.24	324.07	10.69	-22.55
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376544	0	50	0.0	-34.73	389.85	10.98	-23.75
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376545	0	47	0.0	-40.30	388.08	7.79	-32.51
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC2=CC=CC=C21	REAL300018376546	0	43	0.0	-30.31	344.91	11.03	-19.28
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376547	0	43	0.0	-33.49	345.86	11.09	-22.40
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376548	1	42	0.0	-33.50	334.95	9.16	-24.34
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376549	0	42	0.0	-32.49	339.49	11.52	-20.97
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=CC2=CC=CC=C21	REAL300018376550	0	42	0.0	-30.07	355.50	10.17	-19.90
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=CC=C2O1	REAL300018376551	0	53	0.0	-33.78	405.12	12.90	-20.88
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CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376611	1	53	0.0	-56.41	390.91	11.53	-44.88
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CC(C)(C)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376618	1	53	0.0	-32.12	376.25	9.53	-22.59
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376618	1	53	0.0	-53.95	381.13	10.84	-43.11
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1SC	REAL300018376619	0	47	0.0	-35.59	383.43	11.41	-24.18
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1OC	REAL300018376620	0	56	0.0	-35.29	433.81	12.61	-22.68
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1OC	REAL300018376621	0	54	0.0	-35.23	425.34	12.48	-22.75
O=C([O-])C([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376622	0	60	0.0	-34.10	432.64	6.93	-27.17
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1OC	REAL300018376623	0	53	0.0	-30.45	415.99	11.22	-19.23
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC2=CC=CC=C21	REAL300018376624	0	46	0.0	-35.62	375.33	11.00	-24.62
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376626	0	51	0.0	-34.97	382.72	13.50	-21.47
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1Cl	REAL300018376629	0	47	0.0	-36.80	394.80	12.44	-24.36
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COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C2OC(C)CC2=C1	REAL300018376631	0	51	0.0	-28.74	402.39	10.95	-17.79
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CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1F	REAL300018376634	0	47	0.0	-35.95	373.31	10.56	-25.39
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376636	1	60	0.0	-53.88	420.37	12.91	-40.97
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376637	0	54	0.0	-31.36	418.68	14.70	-16.66
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=CC=C2O1	REAL300018376638	0	50	0.0	-34.41	391.90	12.32	-22.09
CC1=NSC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376639	1	38	0.0	-35.52	322.48	9.49	-26.03
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376642	0	42	0.0	-30.34	338.65	11.15	-19.19
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC(C(F)(F)F)=C1	REAL300018376644	0	46	0.0	-34.09	380.65	11.30	-22.79
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376645	0	41	0.0	-31.19	325.87	9.88	-21.31
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376646	0	48	0.0	-27.42	365.72	11.76	-15.66
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)N1C	REAL300018376647	1	47	0.0	-33.90	371.03	10.08	-23.82
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376649	0	45	0.0	-28.05	344.07	9.52	-18.53
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376650	0	52	0.0	-33.23	407.47	12.80	-20.43
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CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376653	0	51	0.0	-33.46	369.50	12.29	-21.17
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CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376655	0	50	0.0	-29.46	376.00	11.90	-17.56
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CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376658	0	48	0.0	-34.76	369.85	13.00	-21.76
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COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)SC=C1	REAL300018376661	1	40	0.0	-28.66	333.22	9.38	-19.28
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376662	0	52	0.0	-34.10	407.48	12.80	-21.30
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O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=CC2=CC=CC=C21	REAL300018376664	0	46	0.0	-36.31	347.93	9.63	-26.68
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=CC2=CC=CC=C21	REAL300018376665	0	43	0.0	-34.81	335.08	11.12	-23.69
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=CC2=CC=CC=C21	REAL300018376666	0	48	0.0	-33.08	348.04	11.86	-21.22
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=C2O1	REAL300018376667	0	50	0.0	-27.76	391.04	12.23	-15.53
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=CC2=CC=CC=C21	REAL300018376669	0	38	0.0	-31.42	320.69	9.68	-21.74
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC2=CC=CC=C21	REAL300018376670	0	38	0.0	-33.12	322.54	9.78	-23.34
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376671	0	39	0.0	-32.87	340.13	11.69	-21.18
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376673	0	45	0.0	-30.76	362.12	13.15	-17.61
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=N1	REAL300018376674	0	43	0.0	-35.06	347.46	9.66	-25.40
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376675	0	46	0.0	-40.53	372.87	12.27	-28.26
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376676	1	42	0.0	-30.23	332.70	11.23	-19.00
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)N1C	REAL300018376677	1	42	0.0	-31.88	335.60	10.02	-21.86
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376678	0	44	0.0	-35.68	353.42	11.49	-24.19
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376679	0	39	0.0	-33.47	347.42	11.52	-21.95
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=CC2=CC=CC=C21	REAL300018376680	1	43	0.0	-33.04	341.93	10.65	-22.39
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376681	0	47	0.0	-45.70	366.95	6.88	-38.82
O=C([O-])C([NH2+]CC1=CC=C(F)C=N1)C1=CC=CC2=CC=CC=C21	REAL300018376682	0	38	0.0	-36.44	317.30	9.32	-27.12
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)SC=N1	REAL300018376683	1	38	0.0	-31.41	317.64	8.77	-22.64
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376684	0	43	0.0	-33.54	350.43	10.44	-23.10
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376685	0	43	0.0	-38.38	341.69	8.68	-29.70
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=N1	REAL300018376686	0	49	0.0	-34.68	386.13	11.03	-23.65
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376687	0	55	0.0	-34.85	410.50	10.96	-23.89
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(Cl)=C1	REAL300018376688	0	42	0.0	-30.82	344.27	12.05	-18.77
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376689	0	41	0.0	-42.47	355.18	12.12	-30.35
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376690	0	42	0.0	-38.94	354.17	12.36	-26.58
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1OC1=CC=CN=C1	REAL300018376691	0	52	0.0	-34.49	419.82	12.95	-21.54
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)S2)C=C1	REAL300018376692	1	48	0.0	-32.81	400.17	12.71	-20.10
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC2=CC=CC=C21	REAL300018376693	0	44	0.0	-28.73	370.21	12.06	-16.67
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC2=CC=CC=C21	REAL300018376694	0	44	0.0	-30.56	366.15	11.93	-18.63
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376695	0	44	0.0	-46.50	366.72	9.67	-36.83
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC2=CC=CC=C21	REAL300018376696	0	41	0.0	-37.87	351.08	12.06	-25.81
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)O1	REAL300018376698	1	49	0.0	-34.99	400.86	13.65	-21.34
CCC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)O2)C=C1	REAL300018376699	1	52	0.0	-35.27	419.10	14.41	-20.86
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CCO1	REAL300018376700	0	46	0.0	-31.85	344.20	9.42	-22.43
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CCO1	REAL300018376701	0	49	0.0	-32.94	362.07	10.24	-22.70
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376702	0	49	0.0	-30.97	375.12	13.50	-17.47
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376703	0	58	0.0	-29.33	403.61	14.19	-15.14
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376704	0	53	0.0	-33.33	383.92	12.33	-21.00
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376705	0	48	0.0	-34.35	369.83	12.98	-21.37
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1C(C)(C)C	REAL300018376706	0	55	0.0	-32.09	413.07	12.99	-19.10
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376708	0	52	0.0	-33.92	392.81	12.15	-21.77
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CCCCC1	REAL300018376709	0	51	0.0	-31.64	368.27	12.44	-19.20
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376710	0	44	0.0	-40.00	366.60	5.97	-34.03
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC2=CC=CC=C21	REAL300018376711	0	46	0.0	-33.44	366.90	13.02	-20.42
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1	REAL300018376712	0	49	0.0	-30.19	379.27	11.81	-18.38
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376713	0	46	0.0	-31.52	361.94	11.03	-20.49
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376714	0	41	0.0	-31.26	357.52	10.19	-21.07
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376715	0	49	0.0	-37.13	380.10	13.49	-23.64
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376717	0	43	0.0	-32.91	361.45	9.92	-22.99
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300018376718	0	45	0.0	-31.88	371.05	12.55	-19.33
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=CC=C1[N+](=O)[O-]	REAL300018376721	0	44	0.0	-33.65	351.40	12.12	-21.53
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1Br	REAL300018376722	0	42	0.0	-32.28	351.90	12.20	-20.08
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1Cl	REAL300018376723	0	43	0.0	-34.92	360.05	10.93	-23.99
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CS1	REAL300018376724	1	39	0.0	-31.12	326.37	10.83	-20.29
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=CC2=CC=CC=C21	REAL300018376725	0	42	0.0	-29.80	343.26	11.40	-18.40
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=CC2=CC=CC=C21	REAL300018376727	0	38	0.0	-35.25	342.00	9.48	-25.77
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376728	0	40	0.0	-33.95	314.06	10.11	-23.84
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376729	0	45	0.0	-30.27	352.82	10.13	-20.14
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376731	0	45	0.0	-31.71	357.40	12.51	-19.20
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC2=CC=CC=C21	REAL300018376733	0	43	0.0	-35.12	352.31	12.59	-22.53
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376735	0	46	0.0	-30.61	344.23	11.60	-19.01
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=CC2=CC=CC=C21	REAL300018376736	0	44	0.0	-35.68	355.36	8.42	-27.26
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC2=CC=CC=C21	REAL300018376737	0	42	0.0	-32.01	356.67	11.91	-20.10
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376738	0	46	0.0	-29.88	317.02	11.91	-17.97
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=CN=C12	REAL300018376739	0	45	0.0	-32.17	362.02	12.04	-20.13
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CN=C1Cl	REAL300018376741	0	39	0.0	-34.80	328.73	9.87	-24.93
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CN=C1Br	REAL300018376742	0	39	0.0	-34.91	333.03	9.90	-25.01
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC2=CC=CC=C21	REAL300018376744	0	39	0.0	-35.58	337.22	8.43	-27.15
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC2=CC=CC=C21	REAL300018376746	0	43	0.0	-36.78	354.31	11.09	-25.69
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC2=CC=CC=C21	REAL300018376747	0	43	0.0	-34.89	352.77	11.09	-23.80
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376749	0	42	0.0	-28.97	341.96	12.01	-16.96
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC2=CC=CC=C21	REAL300018376750	0	41	0.0	-35.56	345.86	10.76	-24.80
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)N21	REAL300018376751	0	45	0.0	-29.43	342.90	11.60	-17.83
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376752	0	51	0.0	-38.28	396.35	11.72	-26.56
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376753	0	51	0.0	-31.77	384.18	12.99	-18.78
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376754	0	48	0.0	-32.17	362.68	12.21	-19.96
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376755	0	42	0.0	-31.18	352.65	12.24	-18.94
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376756	0	46	0.0	-33.62	369.57	10.81	-22.81
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376757	0	51	0.0	-26.96	369.46	10.43	-16.53
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376758	0	44	0.0	-42.08	361.93	11.52	-30.56
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC2=CC=CN=C12	REAL300018376759	0	47	0.0	-34.23	373.67	12.21	-22.02
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376760	0	51	0.0	-28.35	361.34	12.27	-16.08
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1C	REAL300018376762	0	52	0.0	-32.44	405.35	12.78	-19.66
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376764	0	49	0.0	-28.84	387.57	12.65	-16.19
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376765	0	48	0.0	-29.43	344.71	11.88	-17.55
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376767	0	41	0.0	-29.83	329.70	9.14	-20.69
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CCN1CC1=CC=CC=C1	REAL300018376768	0	57	0.0	-32.19	414.35	11.70	-20.49
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376769	0	42	0.0	-35.76	346.58	11.94	-23.82
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CC=CC2=CC=CC=C21	REAL300018376770	1	41	0.0	-39.67	355.38	9.05	-30.62
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC2=CC=CC=C21	REAL300018376771	0	46	0.0	-29.77	356.64	12.83	-16.94
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=CC2=CC=CC=C21	REAL300018376774	1	44	0.0	-27.16	347.50	11.16	-16.00
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=NN1C	REAL300018376775	0	42	0.0	-34.81	333.33	9.28	-25.53
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1F	REAL300018376776	0	53	0.0	-35.58	412.87	12.18	-23.40
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C(SC)C=C1OC	REAL300018376777	0	51	0.0	-29.95	408.04	11.15	-18.80
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376778	0	50	0.0	-35.01	386.38	13.52	-21.49
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376779	0	46	0.0	-33.70	328.64	11.15	-22.55
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC(C2=CC=CC=C2)C1	REAL300018376780	0	55	0.0	-30.15	392.09	14.97	-15.18
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376782	0	48	0.0	-32.81	356.84	11.58	-21.23
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC2=CC=CC=C21	REAL300018376784	0	49	0.0	-32.86	386.88	12.62	-20.24
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376785	0	45	0.0	-34.51	360.79	9.48	-25.03
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376786	0	46	0.0	-32.78	370.19	11.30	-21.48
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376787	0	49	0.0	-36.39	379.23	11.59	-24.80
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376788	1	46	0.0	-32.22	368.25	10.75	-21.47
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC2=CC=CC=C21	REAL300018376789	1	48	0.0	-48.64	347.29	10.64	-38.00
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O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376790	0	55	0.0	-32.85	381.96	12.91	-19.94
CC([NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C(C)C1=CC=CC=C1	REAL300018376791	0	48	0.0	-34.72	354.61	12.47	-22.25
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC2=CC=CC=C21	REAL300018376792	0	47	0.0	-35.06	365.77	11.92	-23.14
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C=CC=C12	REAL300018376793	0	49	0.0	-30.43	382.44	12.46	-17.97
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC2=CC=CC=C21	REAL300018376794	1	46	0.0	-32.22	368.48	11.07	-21.15
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376795	0	47	0.0	-35.49	366.15	11.39	-24.10
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376796	0	48	0.0	-30.94	372.64	12.93	-18.01
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376798	0	50	0.0	-36.54	394.31	14.10	-22.44
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376799	0	53	0.0	-35.08	374.81	10.57	-24.51
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1C	REAL300018376800	0	45	0.0	-32.47	354.50	9.25	-23.22
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC2=CC=CC=C21	REAL300018376802	0	42	0.0	-39.88	357.65	12.33	-27.55
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2O1)C1=CC=CC2=CC=CC=C21	REAL300018376803	1	41	0.0	-32.09	335.03	9.80	-22.29
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC2=CC=CC=C21	REAL300018376804	0	39	0.0	-34.85	344.61	11.32	-23.53
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)NC2=CC=C1	REAL300018376805	0	46	0.0	-32.87	366.57	11.60	-21.27
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376806	0	49	0.0	-29.80	364.76	10.49	-19.31
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376807	0	39	0.0	-32.86	345.11	11.22	-21.64
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1	REAL300018376808	0	52	0.0	-31.14	398.78	12.61	-18.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1OC1CC1	REAL300018376810	0	51	0.0	-34.90	402.21	11.88	-23.02
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376811	0	52	0.0	-33.12	369.99	12.57	-20.55
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376812	0	41	0.0	-35.79	345.34	10.15	-25.64
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC2=CC=CC=C21	REAL300018376813	0	49	0.0	-32.43	366.90	13.06	-19.37
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376815	0	51	0.0	-32.77	360.26	11.78	-20.99
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC2=CC=CC=C21	REAL300018376816	0	49	0.0	-32.19	365.20	12.90	-19.29
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C(F)F)=N1	REAL300018376817	0	42	0.0	-37.78	346.63	9.75	-28.03
CC([NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21)C1CCCCCC1	REAL300018376818	0	51	0.0	-30.72	354.80	12.12	-18.60
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376820	0	54	0.0	-32.68	374.80	12.30	-20.38
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC2=CC=CC=C21	REAL300018376821	0	47	0.0	-30.10	359.93	10.94	-19.16
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376822	0	46	0.0	-35.64	370.07	13.25	-22.39
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376823	0	48	0.0	-33.22	377.25	12.59	-20.63
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376824	0	44	0.0	-42.30	368.75	6.02	-36.28
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376825	1	45	0.0	-29.67	352.94	10.30	-19.37
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)NC2=C1	REAL300018376826	0	46	0.0	-33.58	367.73	11.68	-21.90
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376827	0	43	0.0	-36.22	342.40	9.68	-26.54
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376830	0	55	0.0	-34.34	400.75	14.24	-20.10
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376831	0	48	0.0	-31.92	353.71	11.70	-20.22
O=C([O-])C([NH2+]CC1=CC2=CC=CN=C2O1)C1=CC=CC2=CC=CC=C21	REAL300018376832	1	41	0.0	-41.16	338.57	8.55	-32.61
CC1=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C=C2)=CC(C)=C1	REAL300018376833	0	55	0.0	-32.83	430.79	15.75	-17.08
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1N1C=NC=N1	REAL300018376834	0	48	0.0	-37.39	383.42	14.53	-22.86
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376835	0	48	0.0	-34.56	345.25	11.48	-23.08
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376836	0	51	0.0	-33.67	361.19	12.02	-21.65
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376837	0	51	0.0	-32.42	353.36	11.58	-20.84
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC1	REAL300018376838	0	57	0.0	-33.50	392.78	12.87	-20.63
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CCN1C	REAL300018376839	0	47	0.0	-32.07	344.04	8.42	-23.65
O=C([O-])C([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1=CC=CC2=CC=CC=C21	REAL300018376840	1	42	0.0	-31.49	346.72	11.60	-19.89
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376841	0	46	0.0	-38.96	378.87	11.62	-27.34
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376842	0	46	0.0	-33.52	367.49	10.73	-22.79
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376844	0	50	0.0	-34.09	416.53	15.18	-18.91
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376845	0	56	0.0	-40.32	422.25	11.99	-28.33
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376846	0	45	0.0	-36.01	355.33	12.45	-23.56
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1OC	REAL300018376847	0	50	0.0	-32.25	382.23	10.69	-21.56
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC2=CC=CC=C21	REAL300018376848	0	46	0.0	-29.14	358.92	13.07	-16.07
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)S1	REAL300018376849	0	39	0.0	-31.08	348.51	11.59	-19.49
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC2=CC=CC=C21	REAL300018376850	0	42	0.0	-36.00	347.86	11.96	-24.04
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC(C)=C1	REAL300018376851	0	48	0.0	-36.38	380.26	13.18	-23.20
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1OC	REAL300018376852	0	56	0.0	-40.41	422.06	12.03	-28.38
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C=N2)C=C1	REAL300018376853	0	50	0.0	-38.05	400.74	11.51	-26.54
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376854	0	45	0.0	-32.93	359.26	12.05	-20.88
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1	REAL300018376855	0	56	0.0	-30.96	434.36	11.82	-19.14
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376856	0	52	0.0	-32.67	400.98	14.61	-18.06
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC2=CC=CC=C21	REAL300018376857	0	45	0.0	-36.80	369.92	9.24	-27.56
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376858	0	45	0.0	-36.45	351.73	10.05	-26.40
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=CN=C21	REAL300018376859	0	44	0.0	-37.48	360.23	10.22	-27.26
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376860	0	48	0.0	-34.71	380.11	13.24	-21.47
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376861	0	53	0.0	-32.14	388.91	10.02	-22.12
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=N1	REAL300018376862	0	45	0.0	-39.36	360.33	10.42	-28.94
CN1CCN(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C=N2)CC1	REAL300018376863	0	54	0.0	-36.10	417.87	9.36	-26.74
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376864	0	50	0.0	-35.90	404.62	14.56	-21.34
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376868	0	38	0.0	-37.40	314.99	9.17	-28.23
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=CC2=CC=CC=C21	REAL300018376869	0	50	0.0	-31.56	359.58	10.60	-20.96
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C2)CO1	REAL300018376870	0	50	0.0	-34.83	373.65	10.43	-24.40
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C2)CO1	REAL300018376871	0	47	0.0	-37.40	349.90	9.63	-27.77
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC2=CC=CC=C21	REAL300018376872	0	47	0.0	-34.52	357.08	11.26	-23.26
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376873	0	46	0.0	-37.05	356.36	12.19	-24.86
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=C21	REAL300018376874	0	45	0.0	-33.65	354.38	12.33	-21.32
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376875	0	46	0.0	-29.79	355.44	10.88	-18.91
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376878	0	45	0.0	-29.44	349.35	12.37	-17.07
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376879	0	42	0.0	-31.09	340.24	11.74	-19.35
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1C	REAL300018376880	0	48	0.0	-30.07	365.51	12.79	-17.28
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC2=CC=CC=C21	REAL300018376881	1	49	0.0	-30.81	372.03	11.48	-19.33
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=CC2=C1	REAL300018376882	0	46	0.0	-34.31	382.86	11.91	-22.40
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=CC=C21	REAL300018376884	0	51	0.0	-32.56	393.82	11.70	-20.86
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=CC3=CC=CC=C31)CC2	REAL300018376885	0	56	0.0	-34.79	403.24	11.40	-23.39
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1Cl	REAL300018376886	0	43	0.0	-35.86	367.65	12.48	-23.38
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1C1CC1	REAL300018376887	0	49	0.0	-31.56	381.54	13.69	-17.87
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=CC3=CC=CC=C31)C2	REAL300018376888	0	53	0.0	-38.44	392.29	12.42	-26.02
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=N1	REAL300018376889	0	45	0.0	-33.07	363.43	8.72	-24.35
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1C1CC1	REAL300018376890	0	49	0.0	-31.12	380.95	13.70	-17.42
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C(C)=C2)C=C1	REAL300018376891	0	52	0.0	-36.55	403.81	13.27	-23.28
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376892	0	46	0.0	-33.80	348.39	11.88	-21.92
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C=C2C1C	REAL300018376895	0	50	0.0	-33.07	387.12	12.11	-20.96
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1OC(F)F	REAL300018376896	0	46	0.0	-30.98	371.76	11.34	-19.64
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376897	0	49	0.0	-32.28	382.37	10.38	-21.90
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)NN=C1C(F)(F)F	REAL300018376898	0	42	0.0	-34.16	349.21	8.92	-25.24
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC2=CC=CC=C21	REAL300018376899	0	49	0.0	-30.69	354.99	11.86	-18.83
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1O	REAL300018376900	0	43	0.0	-31.55	343.52	8.91	-22.64
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376903	0	44	0.0	-35.84	350.36	10.92	-24.92
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376905	0	47	0.0	-32.67	366.13	11.10	-21.57
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376906	0	47	0.0	-37.02	378.79	10.92	-26.10
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376907	0	53	0.0	-39.11	411.92	12.80	-26.31
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376908	0	43	0.0	-34.63	354.73	12.09	-22.54
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC2=CC=CC=C21	REAL300018376909	0	46	0.0	-36.85	368.07	13.11	-23.74
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)CC21	REAL300018376910	0	46	0.0	-30.08	338.35	11.55	-18.53
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC2=CC=CC=C21	REAL300018376912	0	46	0.0	-31.46	378.93	13.26	-18.20
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376913	0	47	0.0	-32.55	372.93	11.98	-20.57
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CC=CC2=CC=CC=C21	REAL300018376914	0	43	0.0	-36.82	366.42	10.91	-25.91
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1	REAL300018376915	0	52	0.0	-36.32	405.66	14.04	-22.28
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C=C2)C=N1	REAL300018376916	0	52	0.0	-37.95	413.24	14.74	-23.21
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376917	0	53	0.0	-31.85	409.47	15.10	-16.75
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)OC2=CC=C(F)C=C12	REAL300018376919	1	45	0.0	-30.57	368.96	12.29	-18.28
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376920	0	45	0.0	-31.20	369.86	13.16	-18.04
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376921	0	49	0.0	-35.53	394.55	12.20	-23.33
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376924	0	50	0.0	-33.83	385.90	11.57	-22.26
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376925	0	42	0.0	-39.82	356.02	10.09	-29.73
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=CC2=CC=CC=C21	REAL300018376928	1	44	0.0	-29.38	353.58	11.44	-17.94
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC2=CC=CC=C21	REAL300018376930	0	42	0.0	-29.05	348.94	11.84	-17.21
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC2=CC=CC=C21	REAL300018376931	0	47	0.0	-30.74	360.46	11.00	-19.74
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376932	0	46	0.0	-29.59	382.65	11.88	-17.71
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376934	1	48	0.0	-30.73	376.73	10.85	-19.88
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376935	0	52	0.0	-34.51	397.08	12.06	-22.45
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=CC2=CC=CC=C21	REAL300018376936	0	49	0.0	-31.44	356.62	12.14	-19.30
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=CC=C1C(C)(C)C	REAL300018376937	0	55	0.0	-26.98	407.42	12.75	-14.23
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=N1	REAL300018376939	0	45	0.0	-33.43	358.20	8.41	-25.02
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C2)=C1	REAL300018376941	0	50	0.0	-36.47	383.08	11.94	-24.53
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)C2)=N1	REAL300018376942	0	44	0.0	-36.86	355.27	8.56	-28.30
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376943	0	50	0.0	-34.89	368.30	10.50	-24.39
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376944	1	45	0.0	-29.53	352.00	11.90	-17.63
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376945	0	46	0.0	-39.70	369.52	10.96	-28.74
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376946	0	52	0.0	-31.54	405.62	14.60	-16.94
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1	REAL300018376947	0	52	0.0	-37.99	394.12	12.03	-25.96
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=NN1CC	REAL300018376948	0	48	0.0	-29.66	371.40	10.91	-18.75
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C(F)(F)F)=CO1	REAL300018376949	0	42	0.0	-34.90	352.75	10.79	-24.11
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376950	0	45	0.0	-34.98	367.70	12.60	-22.38
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376951	0	45	0.0	-33.27	376.66	11.79	-21.48
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C(C)=C1	REAL300018376952	0	55	0.0	-36.08	416.15	12.95	-23.13
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=CC2=CC=CC=C21	REAL300018376953	0	52	0.0	-31.09	367.65	12.59	-18.50
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)CC2=CC=CC=C21	REAL300018376954	0	52	0.0	-37.19	383.62	13.53	-23.66
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376955	0	46	0.0	-32.37	379.34	13.44	-18.93
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=CC=C1O	REAL300018376956	0	56	0.0	-38.05	433.46	11.22	-26.83
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=CC2=CC=CC=C21	REAL300018376957	0	45	0.0	-29.96	370.76	13.61	-16.35
O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376958	0	43	0.0	-34.09	368.82	12.46	-21.63
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376959	0	47	0.0	-33.24	366.14	11.10	-22.14
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)SC2=CC(F)=CC=C12	REAL300018376960	0	45	0.0	-34.30	376.46	13.21	-21.09
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC2=CC=CC=C21	REAL300018376961	0	45	0.0	-35.91	367.71	9.14	-26.77
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC2=CC=CC=C21	REAL300018376962	0	42	0.0	-38.14	340.55	10.60	-27.54
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1OCCO	REAL300018376964	0	51	0.0	-37.75	404.40	8.05	-29.70
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376965	0	44	0.0	-35.30	353.41	11.49	-23.81
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)=C2O1	REAL300018376966	0	45	0.0	-28.49	362.96	12.16	-16.33
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=CC2=CC=CC=C21	REAL300018376967	0	42	0.0	-37.22	358.78	12.10	-25.12
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=C1F	REAL300018376968	0	49	0.0	-37.44	387.93	11.94	-25.50
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1	REAL300018376969	1	52	0.0	-30.04	399.94	12.05	-17.99
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC2=CC=CC=C21	REAL300018376970	0	42	0.0	-35.10	351.33	9.81	-25.29
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376972	0	46	0.0	-35.39	379.75	12.36	-23.03
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376974	0	42	0.0	-36.01	350.49	9.83	-26.18
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376975	0	43	0.0	-39.04	361.87	10.51	-28.53
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=CC2=CC=CC=C21	REAL300018376977	0	49	0.0	-34.16	349.38	11.85	-22.31
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376979	0	42	0.0	-30.62	347.50	11.40	-19.22
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=CC2=CC=CC=C21	REAL300018376980	0	42	0.0	-30.00	357.80	11.84	-18.16
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC2=CC=CC=C21	REAL300018376981	0	43	0.0	-34.41	343.45	12.31	-22.10
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376984	0	55	0.0	-30.58	414.26	14.82	-15.76
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376985	0	49	0.0	-31.11	381.49	11.38	-19.73
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376986	0	47	0.0	-37.54	373.92	11.72	-25.82
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=CC2=CC=CC=C21	REAL300018376987	0	47	0.0	-36.20	385.11	11.42	-24.78
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376988	1	46	0.0	-37.28	375.73	10.26	-27.02
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C1	REAL300018376989	0	53	0.0	-33.37	377.67	9.53	-23.84
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376990	0	52	0.0	-33.16	418.72	15.54	-17.62
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=CC2=CC=CC=C21	REAL300018376991	1	48	0.0	-30.43	384.10	12.67	-17.76
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3=CC=CC4=CC=CC=C43)CC2)C=C1	REAL300018376992	0	55	0.0	-35.73	413.40	14.57	-21.16
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376993	0	42	0.0	-33.29	340.40	11.83	-21.46
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=CC2=CC=CC=C21	REAL300018376994	0	42	0.0	-33.05	349.33	12.38	-20.67
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=CC2=CC=CC=C21	REAL300018376995	0	48	0.0	-36.00	383.91	12.74	-23.26
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC2=CC=CC=C21	REAL300018376996	0	45	0.0	-36.45	351.73	10.05	-26.40
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC=CC2=CC=CC=C21	REAL300018376997	0	47	0.0	-32.73	351.16	12.14	-20.59
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)=C1C(F)(F)F	REAL300018376998	0	45	0.0	-36.91	360.84	12.71	-24.20
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC3=CC=CC=C32)C=N1	REAL300018376999	0	43	0.0	-33.43	351.66	10.30	-23.13
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=CC2=CC=CC=C21	REAL300018377000	0	42	0.0	-39.53	340.73	9.78	-29.75
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300018377470	0	40	0.0	-35.46	343.79	9.52	-25.94
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377472	0	46	0.0	-33.44	363.86	9.85	-23.59
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC(C)(C)C1	REAL300018377473	0	52	0.0	-34.66	387.68	10.10	-24.56
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377474	0	40	0.0	-32.16	356.81	10.43	-21.73
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377475	0	47	0.0	-34.57	388.91	9.72	-24.85
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=C1F	REAL300018377476	0	40	0.0	-33.97	343.78	9.51	-24.46
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377477	0	41	0.0	-32.01	350.79	8.88	-23.13
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377478	1	36	0.0	-43.94	339.68	8.67	-35.27
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377479	0	46	0.0	-35.17	360.07	9.44	-25.73
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377480	0	49	0.0	-32.65	400.77	11.55	-21.10
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC(C)=C1	REAL300018377481	0	43	0.0	-32.34	359.43	10.37	-21.97
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377482	0	37	0.0	-34.01	350.08	10.06	-23.95
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377483	0	41	0.0	-36.65	355.88	8.63	-28.02
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377485	0	49	0.0	-30.85	366.36	10.13	-20.72
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377486	1	35	0.0	-36.90	309.05	6.90	-30.00
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC=C1OC(F)(F)F	REAL300018377487	0	42	0.0	-35.58	352.81	9.07	-26.51
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377488	0	40	0.0	-30.99	313.94	8.60	-22.39
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377489	0	50	0.0	-34.47	408.94	10.13	-24.34
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377490	0	44	0.0	-37.99	380.36	11.14	-26.85
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377491	0	38	0.0	-35.47	309.42	5.90	-29.57
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377492	0	48	0.0	-33.51	375.62	9.98	-23.53
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377493	0	45	0.0	-34.17	347.58	9.13	-25.04
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300018377494	0	40	0.0	-31.10	353.08	9.57	-21.53
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377495	0	39	0.0	-32.95	323.68	6.85	-26.10
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377497	0	42	0.0	-35.29	355.53	8.71	-26.58
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377498	0	48	0.0	-35.95	393.56	8.77	-27.18
O=C([O-])C([NH2+]CC1=CN=CS1)C1=CC=CC=C1OC(F)(F)F	REAL300018377499	1	33	0.0	-34.52	304.19	6.12	-28.40
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377500	0	41	0.0	-32.93	346.75	9.03	-23.90
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377501	0	37	0.0	-37.73	319.58	8.02	-29.71
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377502	0	41	0.0	-35.43	351.00	8.87	-26.56
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377503	1	40	0.0	-33.65	342.19	7.03	-26.62
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377504	0	40	0.0	-34.13	344.41	9.33	-24.80
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377505	0	52	0.0	-32.11	394.49	11.71	-20.40
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377507	0	47	0.0	-36.85	377.90	6.57	-30.28
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377508	0	46	0.0	-33.70	382.40	8.68	-25.02
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377509	1	37	0.0	-35.59	320.06	6.45	-29.14
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377510	0	47	0.0	-36.62	388.65	8.74	-27.88
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377511	0	48	0.0	-33.45	402.03	8.30	-25.15
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1Cl	REAL300018377512	0	41	0.0	-33.64	362.60	8.66	-24.98
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377513	1	40	0.0	-35.79	342.42	5.83	-29.96
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC=C1OC(F)(F)F	REAL300018377514	0	42	0.0	-35.19	352.28	9.05	-26.14
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300018377515	0	36	0.0	-33.88	326.33	6.82	-27.06
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC=C1OC(F)(F)F	REAL300018377516	1	43	0.0	-34.79	359.60	8.25	-26.54
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC=C1OC(F)(F)F	REAL300018377517	1	46	0.0	-38.71	379.30	8.91	-29.80
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377518	0	44	0.0	-35.04	378.90	11.12	-23.92
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377519	0	44	0.0	-34.30	371.41	11.03	-23.27
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377520	0	47	0.0	-32.35	392.50	9.89	-22.46
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377521	0	39	0.0	-37.38	325.48	9.16	-28.22
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377522	0	46	0.0	-34.41	396.73	10.39	-24.02
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C=NC2=NN1	REAL300018377523	0	42	0.0	-45.44	361.17	7.36	-38.08
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377524	1	38	0.0	-36.26	331.10	6.85	-29.41
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377526	0	40	0.0	-37.42	343.46	9.49	-27.93
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377528	0	47	0.0	-32.44	388.93	9.72	-22.72
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377532	0	46	0.0	-39.02	382.89	11.03	-27.99
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377533	0	49	0.0	-34.99	396.38	11.60	-23.39
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377534	0	49	0.0	-34.98	396.38	11.61	-23.37
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377535	0	40	0.0	-35.66	327.73	8.47	-27.19
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377536	0	49	0.0	-56.66	387.89	9.47	-47.19
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377538	0	41	0.0	-38.91	353.10	7.21	-31.70
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377539	1	40	0.0	-38.57	363.33	9.88	-28.69
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377541	0	51	0.0	-59.94	395.64	9.36	-50.58
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C(C)S1	REAL300018377542	0	40	0.0	-30.20	346.71	9.57	-20.63
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)C1CCCC1	REAL300018377543	0	43	0.0	-34.72	337.41	8.88	-25.84
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377544	0	43	0.0	-35.91	376.77	9.64	-26.27
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377545	0	51	0.0	-58.47	386.42	8.61	-49.86
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377546	0	44	0.0	-36.76	378.82	8.81	-27.95
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377547	0	43	0.0	-34.47	345.76	9.06	-25.41
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377549	0	40	0.0	-29.62	328.82	6.51	-23.11
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377550	0	49	0.0	-37.61	393.57	11.57	-26.04
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377552	0	43	0.0	-33.19	342.00	8.81	-24.38
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C2=CC=CC=C21	REAL300018377553	1	43	0.0	-35.58	369.58	8.79	-26.79
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377555	0	40	0.0	-36.21	346.31	7.50	-28.71
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1F	REAL300018377556	0	45	0.0	-33.65	377.95	8.35	-25.30
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CC=C2O1	REAL300018377558	0	48	0.0	-36.05	396.83	10.11	-25.94
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377561	0	40	0.0	-37.09	341.54	9.29	-27.80
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377563	0	39	0.0	-33.65	322.98	7.70	-25.95
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377564	0	46	0.0	-34.24	375.38	9.61	-24.63
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N1C	REAL300018377565	0	45	0.0	-32.46	376.42	7.98	-24.48
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377567	0	43	0.0	-29.58	349.09	7.27	-22.31
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377568	0	50	0.0	-33.06	411.06	10.57	-22.49
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377569	0	48	0.0	-35.46	403.08	8.34	-27.12
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377570	0	46	0.0	-28.04	360.66	7.55	-20.49
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377571	0	38	0.0	-34.31	306.68	5.80	-28.51
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377572	0	49	0.0	-33.08	372.04	10.01	-23.07
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377573	0	48	0.0	-31.26	384.36	9.86	-21.40
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377574	0	44	0.0	-31.63	362.55	10.72	-20.91
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377575	0	46	0.0	-37.35	362.88	10.49	-26.86
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377576	0	46	0.0	-32.17	370.76	10.76	-21.41
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)OCO2	REAL300018377577	1	44	0.0	-34.67	370.89	7.05	-27.62
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)SC=C1	REAL300018377578	0	38	0.0	-33.37	339.59	7.28	-26.09
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377579	0	50	0.0	-31.22	409.99	10.53	-20.69
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC=C1OC(F)(F)F	REAL300018377580	0	43	0.0	-33.35	359.19	11.08	-22.27
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377581	0	44	0.0	-37.14	353.07	7.40	-29.74
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377582	0	41	0.0	-37.60	338.68	8.88	-28.72
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377583	0	46	0.0	-33.63	349.62	9.74	-23.89
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=C2O1	REAL300018377584	0	48	0.0	-35.15	393.95	10.27	-24.88
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC=C1OC(F)(F)F	REAL300018377586	1	36	0.0	-30.04	326.69	7.58	-22.46
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377588	1	41	0.0	-35.27	350.00	7.39	-27.88
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377589	0	44	0.0	-42.02	377.78	10.09	-31.93
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377591	0	40	0.0	-34.55	333.41	9.19	-25.36
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N1C	REAL300018377592	0	40	0.0	-33.28	339.30	7.80	-25.48
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377593	0	42	0.0	-36.78	360.63	9.34	-27.44
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377594	0	41	0.0	-33.88	344.10	8.41	-25.47
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377595	0	45	0.0	-48.12	373.25	4.68	-43.44
O=C([O-])C([NH2+]CC1=CC=C(F)C=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377596	1	36	0.0	-37.02	319.47	7.09	-29.93
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)SC=N1	REAL300018377597	0	36	0.0	-33.00	322.54	6.63	-26.37
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377598	0	41	0.0	-34.03	352.99	8.17	-25.86
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377599	0	41	0.0	-34.56	340.66	6.39	-28.17
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377600	1	47	0.0	-34.83	388.68	8.76	-26.07
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=CO1	REAL300018377602	0	37	0.0	-33.29	318.01	7.63	-25.66
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(Cl)=C1	REAL300018377603	1	40	0.0	-32.23	348.53	10.09	-22.14
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377604	0	40	0.0	-38.49	354.86	10.33	-28.16
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377606	0	42	0.0	-41.31	371.83	7.46	-33.85
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CCO1	REAL300018377607	0	44	0.0	-35.41	351.38	7.50	-27.91
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CCO1	REAL300018377608	0	47	0.0	-34.59	364.23	8.22	-26.37
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377609	0	47	0.0	-32.54	382.34	11.36	-21.18
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377610	0	56	0.0	-31.89	409.48	12.04	-19.85
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377611	0	51	0.0	-34.14	389.02	10.16	-23.98
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377612	0	40	0.0	-33.13	323.17	8.73	-24.40
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377613	0	46	0.0	-36.49	377.06	10.83	-25.66
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377615	0	50	0.0	-36.13	399.83	10.02	-26.11
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)C1CCCCC1	REAL300018377616	0	49	0.0	-34.87	375.49	10.30	-24.57
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377618	0	44	0.0	-38.36	370.91	10.84	-27.52
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C)=C1	REAL300018377620	0	47	0.0	-32.98	382.30	9.63	-23.35
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377621	0	44	0.0	-33.82	368.99	8.91	-24.91
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377622	0	47	0.0	-38.79	382.22	11.45	-27.34
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377624	0	41	0.0	-34.25	365.17	7.69	-26.56
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)S1	REAL300018377625	0	43	0.0	-30.40	371.81	10.49	-19.91
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N=C1	REAL300018377626	1	39	0.0	-35.40	334.50	7.66	-27.74
O=C([O-])C([NH2+]CC1=CC=NS1)C1=CC=CC=C1OC(F)(F)F	REAL300018377627	1	33	0.0	-33.77	304.30	6.71	-27.06
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=CC=C1[N+](=O)[O-]	REAL300018377629	0	42	0.0	-40.84	351.80	10.00	-30.84
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=C1Cl	REAL300018377630	0	41	0.0	-35.86	365.17	8.71	-27.15
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CS1	REAL300018377631	0	37	0.0	-32.82	331.28	8.63	-24.19
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377632	0	40	0.0	-36.00	344.05	9.35	-26.65
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377634	0	38	0.0	-33.75	317.58	7.81	-25.94
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377635	0	43	0.0	-35.60	359.90	8.15	-27.45
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377637	0	43	0.0	-32.39	362.53	10.29	-22.10
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377639	0	41	0.0	-37.30	355.75	10.51	-26.79
CC1=NC=CN=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377640	1	38	0.0	-30.66	326.42	5.67	-24.99
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377641	0	44	0.0	-35.08	348.08	9.65	-25.43
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=CC=C1OC(F)(F)F	REAL300018377642	1	42	0.0	-36.77	359.06	6.22	-30.55
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377643	0	40	0.0	-35.20	362.98	9.83	-25.37
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377644	0	44	0.0	-30.95	319.43	9.82	-21.13
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CN=C12	REAL300018377645	0	43	0.0	-37.11	364.91	10.08	-27.03
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CN=C1Cl	REAL300018377647	1	37	0.0	-33.90	335.97	7.75	-26.15
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377648	1	37	0.0	-37.70	337.97	6.38	-31.32
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377650	0	41	0.0	-38.02	358.02	8.87	-29.15
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377651	0	41	0.0	-35.35	354.99	9.04	-26.31
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377652	1	43	0.0	-31.01	368.46	6.48	-24.53
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377653	0	40	0.0	-33.52	345.02	9.83	-23.69
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377654	0	39	0.0	-33.84	348.85	8.77	-25.07
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)N21	REAL300018377655	0	43	0.0	-35.73	356.90	9.72	-26.01
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377656	0	49	0.0	-33.82	388.98	10.76	-23.06
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377657	0	46	0.0	-32.66	370.81	9.94	-22.72
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377658	0	40	0.0	-34.08	356.25	10.00	-24.08
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377659	0	44	0.0	-34.12	373.16	8.58	-25.54
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377660	0	49	0.0	-29.56	374.28	7.81	-21.75
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377661	0	42	0.0	-38.24	367.05	9.30	-28.94
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC2=CC=CN=C12	REAL300018377662	0	45	0.0	-36.92	378.30	9.99	-26.93
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377663	0	49	0.0	-30.74	364.86	10.36	-20.38
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1C	REAL300018377665	0	50	0.0	-32.59	410.00	10.58	-22.01
COC1=C(C)C=NC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1C	REAL300018377666	1	46	0.0	-28.36	378.68	7.58	-20.78
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377667	0	46	0.0	-31.56	349.22	9.81	-21.75
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377668	0	39	0.0	-31.81	329.16	7.25	-24.56
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377669	0	40	0.0	-35.15	353.79	9.80	-25.35
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377670	0	44	0.0	-31.37	360.91	10.86	-20.51
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=CC=C1OC(F)(F)F	REAL300018377673	0	42	0.0	-34.68	354.37	9.33	-25.35
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=NN1C	REAL300018377674	0	40	0.0	-36.12	337.69	7.10	-29.02
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377675	0	44	0.0	-31.90	334.36	8.90	-23.00
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377677	0	46	0.0	-34.81	360.54	9.36	-25.45
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377678	0	43	0.0	-34.91	365.93	7.27	-27.64
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377679	0	44	0.0	-33.97	375.88	9.13	-24.84
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377680	0	47	0.0	-38.16	383.60	9.42	-28.74
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377681	1	44	0.0	-35.71	371.74	8.54	-27.17
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377682	0	46	0.0	-51.71	355.77	8.53	-43.18
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377682	1	46	0.0	-55.39	361.79	8.35	-47.04
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377683	0	53	0.0	-35.50	385.00	10.85	-24.65
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)C(C)C1=CC=CC=C1	REAL300018377684	0	46	0.0	-36.35	357.72	10.28	-26.07
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC=C1OC(F)(F)F	REAL300018377685	0	45	0.0	-37.19	370.28	9.85	-27.34
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377686	1	44	0.0	-30.47	366.24	9.09	-21.38
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377687	0	45	0.0	-37.71	369.75	9.05	-28.66
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377688	0	46	0.0	-31.33	377.28	10.73	-20.60
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377691	0	51	0.0	-37.22	378.51	8.36	-28.86
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1C	REAL300018377692	0	43	0.0	-33.86	354.90	6.95	-26.91
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC=C1OC(F)(F)F	REAL300018377694	0	40	0.0	-40.35	358.72	10.06	-30.29
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377696	0	37	0.0	-32.96	347.55	9.34	-23.62
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)NC2=CC=C1	REAL300018377697	0	44	0.0	-34.16	370.93	9.42	-24.74
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377698	0	47	0.0	-32.23	370.64	8.34	-23.89
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377699	0	37	0.0	-34.00	347.22	9.20	-24.80
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C)=C1	REAL300018377700	0	50	0.0	-31.48	405.71	10.50	-20.98
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377702	0	41	0.0	-32.96	327.80	8.88	-24.08
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377703	0	50	0.0	-34.61	374.80	10.36	-24.25
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377704	0	39	0.0	-36.55	347.53	7.91	-28.64
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377705	0	47	0.0	-34.13	367.53	10.99	-23.14
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377706	0	49	0.0	-35.29	366.61	9.60	-25.69
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377707	0	47	0.0	-39.37	368.11	11.05	-28.32
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C(F)F)=N1	REAL300018377708	1	40	0.0	-36.81	341.91	7.56	-29.25
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)C1CCCCCC1	REAL300018377709	0	49	0.0	-31.80	362.16	10.04	-21.76
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377710	0	52	0.0	-34.35	379.65	10.06	-24.29
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377711	0	45	0.0	-31.26	361.00	8.92	-22.34
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377712	0	44	0.0	-38.31	372.27	11.22	-27.09
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377713	0	46	0.0	-33.83	381.64	10.40	-23.43
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377714	0	37	0.0	-34.79	303.86	7.65	-27.14
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377715	1	43	0.0	-32.79	358.69	8.17	-24.62
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)NC2=C1	REAL300018377716	0	44	0.0	-33.83	369.90	9.65	-24.18
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377717	0	41	0.0	-37.02	344.56	7.45	-29.57
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377719	0	46	0.0	-34.04	357.91	9.76	-24.28
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377721	0	46	0.0	-37.00	350.22	9.31	-27.69
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377722	0	49	0.0	-35.86	367.21	9.88	-25.98
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377723	0	49	0.0	-35.13	359.12	9.44	-25.69
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC1	REAL300018377724	0	55	0.0	-32.28	398.61	10.57	-21.71
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC[N@@H+]1C	REAL300018377725	0	45	0.0	-63.55	347.29	7.63	-55.92
CC1CC(NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC[N@H+]1C	REAL300018377725	1	45	0.0	-62.28	356.40	7.71	-54.57
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CCN1C	REAL300018377725	1	45	0.0	-35.01	351.01	6.32	-28.69
CC([NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F)C1CCCO1	REAL300018377727	0	41	0.0	-31.27	321.03	6.77	-24.50
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377728	0	44	0.0	-33.36	373.17	8.56	-24.80
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377730	0	43	0.0	-38.35	362.56	10.31	-28.04
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1OC	REAL300018377731	0	48	0.0	-33.87	386.53	8.71	-25.16
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377732	0	44	0.0	-30.49	362.61	10.86	-19.63
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=CC=C1OC(F)(F)F	REAL300018377733	0	40	0.0	-43.45	353.01	9.74	-33.71
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC(C)=C1	REAL300018377734	0	46	0.0	-38.24	383.97	10.96	-27.28
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377735	0	43	0.0	-34.31	364.90	9.76	-24.55
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377736	0	43	0.0	-36.36	375.66	7.13	-29.23
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377737	0	43	0.0	-35.45	352.85	7.83	-27.62
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CN=C21	REAL300018377738	0	42	0.0	-38.28	362.42	7.97	-30.31
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377739	0	51	0.0	-31.65	391.06	7.94	-23.71
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377740	0	43	0.0	-39.22	365.46	8.20	-31.02
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377742	0	36	0.0	-39.37	320.90	7.02	-32.35
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377743	0	48	0.0	-33.03	361.71	8.58	-24.45
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C2)CO1	REAL300018377744	0	48	0.0	-38.81	384.03	8.42	-30.39
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C2)CO1	REAL300018377745	0	45	0.0	-40.62	357.63	7.55	-33.07
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377746	0	45	0.0	-36.88	364.24	9.12	-27.76
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377747	0	44	0.0	-40.42	363.46	10.09	-30.33
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=C21	REAL300018377748	0	43	0.0	-35.18	355.03	10.13	-25.05
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377749	0	44	0.0	-31.51	362.48	8.69	-22.82
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377752	0	43	0.0	-30.15	346.75	10.19	-19.96
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377753	0	40	0.0	-35.69	347.46	9.59	-26.10
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C)=C1C	REAL300018377754	0	46	0.0	-31.15	365.68	10.51	-20.64
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=CC=C1OC(F)(F)F	REAL300018377755	0	47	0.0	-35.76	372.79	9.42	-26.34
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=CC=C21	REAL300018377757	0	49	0.0	-32.80	390.55	8.97	-23.83
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=C1C1CC1	REAL300018377758	0	47	0.0	-32.17	385.14	11.45	-20.72
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=N1	REAL300018377759	0	43	0.0	-34.32	368.58	6.51	-27.81
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1C1CC1	REAL300018377760	0	47	0.0	-32.91	386.08	11.49	-21.42
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377761	0	44	0.0	-36.53	354.25	9.75	-26.78
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C=C2C1C	REAL300018377763	0	48	0.0	-34.36	391.50	9.94	-24.42
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377764	0	47	0.0	-34.16	387.38	8.19	-25.97
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)NN=C1C(F)(F)F	REAL300018377765	1	40	0.0	-35.84	356.15	6.94	-28.90
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=CC=C1OC(F)(F)F	REAL300018377766	0	47	0.0	-34.48	360.72	9.84	-24.64
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1O	REAL300018377767	0	41	0.0	-35.28	348.14	6.71	-28.57
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377770	0	42	0.0	-33.46	355.48	8.70	-24.76
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377772	0	45	0.0	-34.05	373.35	8.95	-25.10
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377773	0	41	0.0	-36.23	359.64	9.90	-26.33
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377774	0	44	0.0	-36.77	369.77	10.97	-25.80
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)CC21	REAL300018377775	0	44	0.0	-32.03	344.92	9.38	-22.65
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=CC=C1OC(F)(F)F	REAL300018377777	0	44	0.0	-30.57	381.82	11.30	-19.27
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377778	0	45	0.0	-35.38	380.17	9.84	-25.54
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377783	0	48	0.0	-33.35	391.04	9.36	-23.99
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=N1	REAL300018377786	1	39	0.0	-30.61	336.01	7.68	-22.93
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377787	1	42	0.0	-35.61	359.24	9.27	-26.34
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=CC=C1C	REAL300018377788	1	43	0.0	-30.99	366.75	6.27	-24.72
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=CC=C1OC(F)(F)F	REAL300018377789	1	40	0.0	-38.27	352.44	9.92	-28.35
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377790	0	45	0.0	-32.29	364.81	8.84	-23.45
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377792	1	46	0.0	-32.10	380.46	8.63	-23.47
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377793	0	50	0.0	-35.13	401.69	9.86	-25.27
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377794	0	47	0.0	-34.57	361.87	10.20	-24.37
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377795	0	43	0.0	-32.93	355.31	6.25	-26.68
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C2)=C1	REAL300018377797	0	48	0.0	-38.52	391.66	9.90	-28.62
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)C2)=N1	REAL300018377798	0	42	0.0	-42.83	348.66	6.20	-36.63
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377799	0	48	0.0	-37.18	372.58	8.53	-28.65
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377800	0	43	0.0	-34.44	357.71	9.77	-24.67
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377801	0	44	0.0	-39.16	375.21	8.79	-30.37
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377802	0	50	0.0	-32.06	409.21	12.36	-19.70
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C)=C1	REAL300018377803	0	50	0.0	-34.66	395.32	9.86	-24.80
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=NN1CC	REAL300018377804	0	46	0.0	-31.95	378.87	8.81	-23.14
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C(C(F)(F)F)=CO1	REAL300018377805	1	40	0.0	-36.03	357.14	8.61	-27.42
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377806	0	43	0.0	-35.71	369.83	10.57	-25.14
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377807	0	50	0.0	-34.19	372.52	10.62	-23.57
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)CC2=CC=CC=C21	REAL300018377808	0	50	0.0	-34.13	383.55	11.37	-22.76
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377809	0	45	0.0	-33.51	370.74	8.89	-24.62
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=CC=C1OC(F)(F)F	REAL300018377810	0	43	0.0	-39.53	374.11	7.06	-32.47
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377811	0	40	0.0	-37.83	344.17	8.37	-29.46
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)N=C1	REAL300018377812	1	42	0.0	-30.36	357.39	8.47	-21.89
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377813	0	42	0.0	-36.27	358.06	9.28	-26.99
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC=C3OC(F)(F)F)=C2O1	REAL300018377814	0	43	0.0	-36.24	365.85	10.20	-26.04
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1	REAL300018377815	1	50	0.0	-34.50	407.59	9.96	-24.54
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=CC=C1OC(F)(F)F	REAL300018377816	1	40	0.0	-35.89	353.53	7.60	-28.29
O=C([O-])C(NCC1=CC2=C[NH+]=CC=C2N1)C1=CC=CC=C1OC(F)(F)F	REAL300018377817	1	40	0.0	-60.77	349.47	6.55	-54.22
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377822	0	47	0.0	-35.37	351.59	9.60	-25.77
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377824	0	40	0.0	-38.50	353.19	9.28	-29.22
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377825	0	40	0.0	-31.92	363.71	9.69	-22.23
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377826	0	41	0.0	-34.99	350.68	10.15	-24.84
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377828	0	47	0.0	-32.43	385.83	9.21	-23.22
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377829	0	45	0.0	-34.90	377.52	9.49	-25.41
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377830	0	44	0.0	-35.03	382.94	8.13	-26.90
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377831	0	51	0.0	-30.84	381.48	7.21	-23.63
CC(C)(C)[N@@H+]1CCCC(NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377831	1	51	0.0	-53.03	385.98	8.57	-44.46
CC(C)(C)[N@H+]1CCCC(NC(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C1	REAL300018377831	1	51	0.0	-55.11	378.13	9.00	-46.11
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377832	0	40	0.0	-34.58	346.08	9.66	-24.92
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377833	0	40	0.0	-33.74	353.97	10.18	-23.56
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377834	0	43	0.0	-35.45	352.85	7.83	-27.62
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377835	0	45	0.0	-33.66	351.23	9.99	-23.67
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=N1	REAL300018377836	0	41	0.0	-34.48	356.79	8.07	-26.41
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377837	0	40	0.0	-36.00	344.34	7.54	-28.46
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=C1	REAL300018377838	0	49	0.0	-31.52	395.71	11.40	-20.12
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377839	0	48	0.0	-37.10	369.76	8.07	-29.03
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=CC=C1OC(F)(F)F	REAL300018377840	0	47	0.0	-31.19	374.98	11.23	-19.96
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377841	0	43	0.0	-40.47	370.47	8.75	-31.72
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)C=CC2=CC=CC=C21	REAL300018377842	0	46	0.0	-32.81	376.60	11.60	-21.21
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377843	0	45	0.0	-33.36	378.52	8.51	-24.85
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC=C2OC(F)(F)F)=C1C	REAL300018377844	0	46	0.0	-35.74	381.00	8.73	-27.01
O=C([O-])C([NH2+]C1CCC1CC1=CC=CC=C1)C1=CC=CC=C1OC(F)(F)F	REAL300018377845	0	47	0.0	-35.23	388.93	11.52	-23.71
CCCN1N=C(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC=C1OC(F)(F)F	REAL300018377846	1	46	0.0	-34.02	382.68	8.85	-25.17
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018377848	0	45	0.0	-94.77	361.48	6.49	-88.28
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)CC1	REAL300018377849	0	52	0.0	-79.28	417.64	9.00	-70.28
CC1=C(C(=O)[O-])C=C(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)O1	REAL300018377850	0	45	0.0	-78.91	355.51	5.21	-73.70
CS(=O)(=O)C1CCC(C[NH2+]CC2=C(C(=O)[O-])OC=C2)CC1	REAL300018377851	0	42	0.0	-54.16	332.19	4.50	-49.66
CS(=O)(=O)C1CCC(C[NH2+]C2CCN(CC(=O)[O-])CC2)CC1	REAL300018377852	0	50	0.0	-77.94	366.89	3.45	-74.49
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC(C(=O)[O-])=CO2)CC1	REAL300018377853	0	42	0.0	-82.89	344.55	4.74	-78.15
CS(=O)(=O)C1CCC(C[NH2+]C2CCC(C(=O)[O-])CC2)CC1	REAL300018377854	0	48	0.0	-69.79	345.88	5.78	-64.01
CS(=O)(=O)C1CCC(C[NH2+]CC2=CN(CC(=O)[O-])N=N2)CC1	REAL300018377855	0	44	0.0	-79.38	351.21	3.07	-76.31
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018377856	0	42	0.0	-85.20	344.29	4.99	-80.21
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])O2)CC1	REAL300018377857	0	42	0.0	-85.20	344.29	4.99	-80.21
CC(C)(CC[NH2+]CC1CCC(S(C)(=O)=O)CC1)C(=O)[O-]	REAL300018377858	0	47	0.0	-72.76	349.99	5.01	-67.75
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)CC1	REAL300018377859	0	52	0.0	-97.98	421.42	8.34	-89.64
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)CC1	REAL300018377860	0	52	0.0	-97.98	421.42	8.34	-89.64
CS(=O)(=O)C1CCC(C[NH2+]C2CCC(C(=O)[O-])CC2)CC1	REAL300018377861	0	48	0.0	-69.79	345.88	5.78	-64.01
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018377862	0	45	0.0	-84.28	361.48	6.48	-77.80
CS(=O)(=O)C1CCC(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])CC1	REAL300018377863	0	52	0.0	-69.30	416.27	7.72	-61.58
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC(C(=O)[O-])=NN2)CC1	REAL300018377864	0	42	0.0	-88.24	335.87	2.68	-85.56
CC1=CC(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018377865	0	55	0.0	-96.84	436.63	8.31	-88.53
CS(=O)(=O)C1CCC(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)CC1	REAL300018377866	1	56	0.0	-83.02	408.62	4.62	-78.40
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1CCC(S(C)(=O)=O)CC1	REAL300018377867	0	54	0.0	-86.28	424.77	6.18	-80.10
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018377868	0	49	0.0	-92.69	392.53	6.76	-85.93
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018377869	0	49	0.0	-92.69	392.53	6.76	-85.93
CS(=O)(=O)C1CCC(C[NH2+]CC2=CSC(C(=O)[O-])=C2)CC1	REAL300018377870	0	42	0.0	-83.01	352.02	5.55	-77.46
CS(=O)(=O)C1CCC(C[NH2+]C2CCC(CC(=O)[O-])CC2)CC1	REAL300018377871	0	51	0.0	-80.00	370.72	6.22	-73.78
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC(C(=O)[O-])=NO2)CC1	REAL300018377872	0	41	0.0	-89.94	338.70	4.04	-85.90
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300018377873	0	44	0.0	-79.72	350.30	4.41	-75.31
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC(C(=O)[O-])=NO2)CC1	REAL300018377874	0	41	0.0	-89.94	338.70	4.04	-85.90
CC([NH2+]CC1CCC(S(C)(=O)=O)CC1)C1CC1C(=O)[O-]	REAL300018377875	0	45	0.0	-71.69	338.43	5.15	-66.54
CS(=O)(=O)C1CCC(C[NH2+]C2CC(CC(=O)[O-])C2)CC1	REAL300018377876	0	45	0.0	-76.64	341.35	5.18	-71.46
CC(OC1=CC=C(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)C=C1)C(=O)[O-]	REAL300018377877	0	52	0.0	-93.87	410.42	7.37	-86.50
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)C=C1	REAL300018377878	0	52	0.0	-88.57	420.05	6.49	-82.08
CC1CC([NH2+]CC2CCC(S(C)(=O)=O)CC2)CCC1C(=O)[O-]	REAL300018377879	0	51	0.0	-71.46	369.84	6.52	-64.94
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300018377880	0	46	0.0	-96.80	378.78	4.58	-92.22
CS(=O)(=O)C1CCC(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)CC1	REAL300018377881	0	51	0.0	-72.47	381.00	6.77	-65.70
CS(=O)(=O)C1CCC(C[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)CC1	REAL300018377882	0	48	0.0	-79.32	371.90	6.11	-73.21
CC1=C(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)C=C(C(=O)[O-])O1	REAL300018377883	0	45	0.0	-88.96	363.27	5.65	-83.31
CC1=C(C(=O)[O-])OC(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)=C1	REAL300018377884	0	45	0.0	-80.41	355.23	5.33	-75.08
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300018377885	0	45	0.0	-93.82	374.00	6.87	-86.95
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1CCC(S(C)(=O)=O)CC1	REAL300018377886	0	53	0.0	-68.49	372.70	6.52	-61.97
CC1C(CC(=O)[O-])CCC1[NH2+]CC1CCC(S(C)(=O)=O)CC1	REAL300018377887	0	51	0.0	-77.32	375.03	6.30	-71.02
CC1(C(=O)[O-])CC([NH2+]CC2CCC(S(C)(=O)=O)CC2)C1	REAL300018377888	0	45	0.0	-71.18	348.32	5.23	-65.95
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)CC1	REAL300018377889	0	48	0.0	-90.74	389.90	7.54	-83.20
CN1C=C(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)C(C(=O)[O-])=N1	REAL300018377890	0	45	0.0	-62.82	361.42	4.32	-58.50
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2CCC(S(C)(=O)=O)CC2)O1	REAL300018377891	0	48	0.0	-79.36	376.99	5.99	-73.37
CS(=O)(=O)C1CCC(C[NH2+]C2CCCC(CCCC(=O)[O-])C2)CC1	REAL300018377892	0	57	0.0	-87.04	421.59	8.02	-79.02
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1CCC(S(C)(=O)=O)CC1	REAL300018377893	0	56	0.0	-81.85	406.94	7.16	-74.69
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)CC1	REAL300018377894	0	44	0.0	-85.97	356.62	4.66	-81.31
CS(=O)(=O)C1CCC(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)CC1	REAL300018377895	0	52	0.0	-71.01	391.15	7.61	-63.40
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1CCC(S(C)(=O)=O)CC1	REAL300018377896	0	45	0.0	-92.17	356.31	3.90	-88.27
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(CCC(=O)[O-])O2)CC1	REAL300018377897	0	48	0.0	-80.89	379.26	6.12	-74.77
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300018377898	0	45	0.0	-88.12	359.01	6.26	-81.86
CS(=O)(=O)C1CCC(C[NH2+]C2CC(CCC(=O)[O-])C2)CC1	REAL300018377899	0	48	0.0	-81.24	370.40	6.31	-74.93
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)CC1	REAL300018377900	0	45	0.0	-95.79	389.72	7.18	-88.61
CS(=O)(=O)C1CCC(C[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)CC1	REAL300018377901	0	47	0.0	-113.61	384.28	5.44	-108.17
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300018377902	0	44	0.0	-97.69	357.19	4.69	-93.00
CS(=O)(=O)C1CCC(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300018377903	0	45	0.0	-78.31	372.05	6.53	-71.78
CS(=O)(=O)C1CCC(C[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)CC1	REAL300018377904	0	48	0.0	-79.08	388.33	6.91	-72.17
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1CCC(S(C)(=O)=O)CC1	REAL300018377905	0	47	0.0	-93.12	365.39	5.06	-88.06
CS(=O)(=O)C1CCC(C[NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)CC1	REAL300018377906	0	48	0.0	-83.11	357.48	5.90	-77.21
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)CC1	REAL300018377907	0	48	0.0	-96.26	387.16	6.20	-90.06
CS(=O)(=O)C1CCC(C[NH2+]CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)CC1	REAL300018377908	0	52	0.0	-84.25	408.40	6.08	-78.17
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300018377909	0	52	0.0	-90.93	402.28	6.13	-84.80
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CC1	REAL300018377910	0	48	0.0	-86.26	400.18	7.46	-78.80
CS(=O)(=O)C1CCC(C[NH2+]CC2=CC(C(=O)[O-])=CC=C2O)CC1	REAL300018377911	0	46	0.0	-82.31	369.06	3.88	-78.43
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])C=C1	REAL300018377912	0	39	0.0	-90.93	344.89	8.27	-82.66
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018377913	0	46	0.0	-77.57	401.91	10.81	-66.76
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=C(C)O1	REAL300018377914	0	39	0.0	-78.37	346.81	7.27	-71.10
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=C(C(=O)[O-])OC=C1	REAL300018377915	0	36	0.0	-57.56	322.61	6.53	-51.03
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCN(CC(=O)[O-])CC1	REAL300018377916	0	44	0.0	-76.58	357.31	5.50	-71.08
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=CO1	REAL300018377917	0	36	0.0	-80.33	327.95	6.51	-73.82
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCC(C(=O)[O-])CC1	REAL300018377918	0	42	0.0	-81.98	344.08	7.64	-74.34
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CN(CC(=O)[O-])N=N1	REAL300018377919	1	38	0.0	-77.40	341.63	5.10	-72.30
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018377920	0	36	0.0	-82.17	328.56	6.79	-75.38
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018377921	0	36	0.0	-82.17	328.56	6.79	-75.38
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CCC(C)(C)C(=O)[O-]	REAL300018377922	0	41	0.0	-72.64	339.84	7.04	-65.60
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018377923	0	46	0.0	-91.67	404.82	10.12	-81.55
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018377924	0	46	0.0	-91.67	404.82	10.12	-81.55
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCC(C(=O)[O-])CC1	REAL300018377925	0	42	0.0	-81.98	344.08	7.64	-74.34
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=CC(C(=O)[O-])=C1	REAL300018377926	0	39	0.0	-84.89	344.89	8.26	-76.63
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018377927	0	46	0.0	-56.20	399.68	9.50	-46.70
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=NN1	REAL300018377928	0	36	0.0	-87.76	327.16	4.74	-83.02
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300018377929	0	49	0.0	-93.20	420.91	10.12	-83.08
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCN(CCCC(=O)[O-])CC1	REAL300018377930	1	50	0.0	-83.73	399.04	6.66	-77.07
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=C(C)N(CCC(=O)[O-])N=C1C	REAL300018377931	0	48	0.0	-82.90	408.18	7.97	-74.93
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018377932	0	43	0.0	-88.73	375.94	8.55	-80.18
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018377933	0	43	0.0	-88.73	375.94	8.55	-80.18
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CSC(C(=O)[O-])=C1	REAL300018377934	0	36	0.0	-78.83	336.29	7.35	-71.48
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCC(CC(=O)[O-])CC1	REAL300018377935	0	45	0.0	-81.32	361.14	8.26	-73.06
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=NO1	REAL300018377936	0	35	0.0	-86.60	322.10	5.81	-80.79
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=CC(C(=O)[O-])=N1	REAL300018377937	0	38	0.0	-82.95	341.59	6.47	-76.48
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=NO1	REAL300018377938	0	35	0.0	-86.60	322.10	5.81	-80.79
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C(C)C1CC1C(=O)[O-]	REAL300018377939	0	39	0.0	-72.15	334.33	7.33	-64.82
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CC(CC(=O)[O-])C1	REAL300018377940	0	39	0.0	-76.95	331.78	7.23	-69.72
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300018377941	0	46	0.0	-90.12	393.82	9.14	-80.98
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCN2N=C(C(F)(F)F)C=C2C)C=C1	REAL300018377942	0	46	0.0	-91.00	403.46	8.26	-82.74
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCC(C(=O)[O-])C(C)C1	REAL300018377943	0	45	0.0	-74.28	353.25	8.31	-65.97
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C=CC(=O)[O-])O1	REAL300018377944	0	40	0.0	-93.76	363.06	6.38	-87.38
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1	REAL300018377945	0	45	0.0	-76.24	370.86	8.35	-67.89
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCC(C(F)(F)C(=O)[O-])C1	REAL300018377946	0	42	0.0	-75.01	357.69	7.95	-67.06
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=C(C)OC(C(=O)[O-])=C1	REAL300018377947	0	39	0.0	-86.05	347.55	7.45	-78.60
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C)=C(C(=O)[O-])O1	REAL300018377948	0	39	0.0	-78.38	345.67	7.36	-71.02
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018377949	0	39	0.0	-90.45	357.40	8.66	-81.79
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C(C)CC(C)(C)CC(=O)[O-]	REAL300018377950	0	47	0.0	-65.99	363.99	8.58	-57.41
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCC(CC(=O)[O-])C1C	REAL300018377951	0	45	0.0	-77.96	355.55	8.52	-69.44
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300018377952	0	39	0.0	-71.53	331.75	7.01	-64.52
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018377953	0	42	0.0	-87.47	373.32	9.32	-78.15
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CN(C)N=C1C(=O)[O-]	REAL300018377954	0	39	0.0	-66.53	344.83	6.10	-60.43
CCC1=C(C(=O)[O-])C=C(C[NH2+]CCN2N=C(C(F)(F)F)C=C2C)O1	REAL300018377955	0	42	0.0	-80.50	367.42	8.02	-72.48
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CCCC(CCCC(=O)[O-])C1	REAL300018377956	0	51	0.0	-84.67	405.00	9.81	-74.86
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C(C)CCCC(C)(C)C(=O)[O-]	REAL300018377957	0	50	0.0	-81.81	397.66	9.23	-72.58
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300018377958	0	38	0.0	-82.68	340.89	6.47	-76.21
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018377959	0	46	0.0	-67.60	381.59	9.66	-57.94
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=NN1C	REAL300018377960	0	39	0.0	-94.47	346.74	5.93	-88.54
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(CCC(=O)[O-])O1	REAL300018377961	0	42	0.0	-82.26	370.55	8.18	-74.08
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018377962	0	39	0.0	-85.79	349.43	8.29	-77.50
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C1CC(CCC(=O)[O-])C1	REAL300018377963	0	42	0.0	-80.86	353.80	8.11	-72.75
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018377964	0	39	0.0	-91.96	373.99	8.99	-82.97
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018377965	0	41	0.0	-108.76	367.69	7.22	-101.54
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=C(C(=O)[O-])N=C1	REAL300018377966	0	38	0.0	-94.13	341.46	6.50	-87.63
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F	REAL300018377967	0	39	0.0	-74.46	355.46	8.31	-66.15
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018377968	0	42	0.0	-69.88	371.74	8.69	-61.19
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CN=C(C(=O)[O-])C=C1C	REAL300018377969	0	41	0.0	-93.65	356.57	7.04	-86.61
CC1=CC(C(F)(F)F)=NN1CC[NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018377970	0	42	0.0	-82.88	349.26	7.91	-74.97
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018377971	0	42	0.0	-86.84	370.57	7.98	-78.86
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018377972	0	46	0.0	-81.02	392.62	7.88	-73.14
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018377973	0	46	0.0	-93.26	393.33	8.19	-85.07
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018377974	0	42	0.0	-79.31	383.59	9.24	-70.07
CC1=CC(C(F)(F)F)=NN1CC[NH2+]CC1=CC(C(=O)[O-])=CC=C1O	REAL300018377975	0	40	0.0	-82.49	352.47	5.66	-76.83
CC(C)(C(=O)[O-])C([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C1=CC=CC=C1	REAL300018377976	0	47	0.0	-46.27	371.67	10.74	-35.53
CC(C[NH2+]C(C1=CC=CC=C1)C(C)(C)C(=O)[O-])CC1=CC=CC=C1	REAL300018377977	0	51	0.0	-51.43	379.63	12.62	-38.81
CC(C)(C(=O)[O-])C([NH2+]CC1=CN(CC2=CC=CN=C2)N=N1)C1=CC=CC=C1	REAL300018377978	0	50	0.0	-38.86	395.44	9.01	-29.85
CCC1CCCC(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C1	REAL300018377979	0	54	0.0	-31.98	373.68	11.80	-20.18
CC1CCCCC1C[NH2+]C(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300018377980	0	51	0.0	-48.20	348.58	10.89	-37.31
CC(C)C1=CN=C(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])S1	REAL300018377981	0	47	0.0	-32.90	368.67	9.76	-23.14
CC(C)(C(=O)[O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C1=CC=CC=C1	REAL300018377982	0	49	0.0	-59.12	395.89	11.11	-48.01
CC(C)(C(=O)[O-])C([NH2+]CC=CC1=CC=C(F)C=C1F)C1=CC=CC=C1	REAL300018377983	0	46	0.0	-56.82	358.93	11.65	-45.17
CC(C)(C(=O)[O-])C([NH2+]CC1CC2CCC1C2)C1=CC=CC=C1	REAL300018377984	0	49	0.0	-31.76	344.96	11.15	-20.61
CC(C)(C(=O)[O-])C([NH2+]CC1=C(Br)C=CS1)C1=CC=CC=C1	REAL300018377985	0	39	0.0	-28.11	330.13	10.14	-17.97
CC(C)C1=CC=C(CC[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=C1	REAL300018377986	0	54	0.0	-54.01	400.05	13.01	-41.00
CC1=CN2C=C(C[NH2+]C(C3=CC=CC=C3)C(C)(C)C(=O)[O-])N=C2C=C1	REAL300018377987	0	48	0.0	-48.44	367.21	11.53	-36.91
CC(C)(C(=O)[O-])C([NH2+]CC1=CC=C2OC=CC2=C1)C1=CC=CC=C1	REAL300018377988	0	45	0.0	-37.00	348.05	10.80	-26.20
CN(C)CC1=CN=C(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])S1	REAL300018377989	0	49	0.0	-35.11	384.20	7.13	-27.98
COCC1=CC(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])=NO1	REAL300018377990	1	45	0.0	-33.40	352.92	7.64	-25.76
CC(C)(C(=O)[O-])C([NH2+]CCC1=CC=C(Cl)C=C1)C1=CC=CC=C1	REAL300018377991	0	45	0.0	-57.61	354.21	11.55	-46.06
CC1=C(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])N(C)N=C1	REAL300018377992	0	45	0.0	-50.99	337.91	8.43	-42.56
CC(C)N1C=C(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])N=N1	REAL300018377993	0	47	0.0	-34.71	359.50	8.32	-26.39
CC1=CC=CC=C1N1C=C(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])N=N1	REAL300018377995	1	51	0.0	-33.01	383.21	10.69	-22.32
COCCOCC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C(C)(C)C(=O)[O-])C=C1	REAL300018377996	0	56	0.0	-35.59	430.32	10.47	-25.12
CC(C)(C(=O)[O-])C([NH2+]CC1=CC=C(C2CCCC2)C=C1)C1=CC=CC=C1	REAL300018377997	0	55	0.0	-31.53	403.33	13.70	-17.83
COC1=CC=C(F)C=C1C[NH2+]C(C1=CC=CC=C1)C(C)(C)C(=O)[O-]	REAL300018377998	0	46	0.0	-47.28	353.72	9.80	-37.48
CC(C)(C(=O)[O-])C([NH2+]CC1=CN(CC(F)F)N=C1)C1=CC=CC=C1	REAL300018377999	0	45	0.0	-54.53	360.07	9.52	-45.01
CC(C)(C(=O)[O-])C([NH2+]CC1=CC=C(C2CCC2)C=C1)C1=CC=CC=C1	REAL300018378000	0	52	0.0	-47.65	384.62	12.96	-34.69
CSC1=CC=C(NCC2=CC=C(N3CCCC3)[NH+]=C2)C=C1C(=O)[O-]	REAL300018402560	1	45	0.0	-70.42	365.61	8.57	-61.85
CSC1=CC=C(NCC2=CC=C(N3CC[NH+](C)CC3)C=C2)C=C1C(=O)[O-]	REAL300018402572	0	51	0.0	-78.92	401.31	9.61	-69.31
CSC1=CC=C(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)C=C1C(=O)[O-]	REAL300018402576	0	49	0.0	-87.73	402.16	12.04	-75.69
CSC1=CC=C(NC2CC[NH+](CC3=CC=CC=C3Cl)CC2)C=C1C(=O)[O-]	REAL300018402577	0	49	0.0	-80.63	398.73	12.01	-68.62
CSC1=CC=C(NC2CC[NH+](CC3=CC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300018402578	0	48	0.0	-82.20	381.13	9.69	-72.51
CSC1=CC=C(NCC2=CC=CC=C2N(C)C2CC[NH+](C)CC2)C=C1C(=O)[O-]	REAL300018402582	0	57	0.0	-76.87	439.70	11.29	-65.58
CSC1=CC=C(NCC2=CC=C(OCC[NH+]3CCCC3)C=C2)C=C1C(=O)[O-]	REAL300018402584	0	53	0.0	-77.67	420.98	11.49	-66.18
CSC1=CC=C(NCC2=CC=C(OCC[NH+](C)C)C=C2)C=C1C(=O)[O-]	REAL300018402592	0	49	0.0	-78.22	397.42	10.21	-68.01
CSC1=CC=C(NC2CC[N@@H+](C(C)C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300018402639	0	49	0.0	-77.34	386.08	11.59	-65.75
CSC1=CC=C(NC2CC[N@H+](C(C)C3=CC=CC=C3)C2)C=C1C(=O)[O-]	REAL300018402639	1	49	0.0	-78.56	386.39	11.60	-66.96
CSC1=CC=C(NC2CC[NH+](CC3CC3)CC2)C=C1C(=O)[O-]	REAL300018402641	0	46	0.0	-80.25	358.09	10.15	-70.10
CSC1=CC=C(NC2CC[NH+](CC(C)C)CC2)C=C1C(=O)[O-]	REAL300018402651	0	48	0.0	-79.35	365.39	10.03	-69.32
CSC1=CC=C(NC2CC[NH+](CC3=CC=NC=C3)CC2)C=C1C(=O)[O-]	REAL300018402658	0	48	0.0	-89.46	380.05	9.69	-79.77
CSC1=CC=C(NC2CC[NH+](C(C)(C)C)CC2)C=C1C(=O)[O-]	REAL300018402659	0	48	0.0	-75.64	355.71	9.35	-66.29
CSC1=CC=C(NC2CC[NH+](CCN3CCOCC3)CC2)C=C1C(=O)[O-]	REAL300018402665	0	55	0.0	-84.43	414.98	7.06	-77.37
CSC1=CC=C(NC2CC[NH+](C3CCCCC3C)CC2)C=C1C(=O)[O-]	REAL300018402685	0	55	0.0	-78.29	395.57	11.44	-66.85
CSC1=CC=C(NCC(C)(C)[NH+]2CCOCC2)C=C1C(=O)[O-]	REAL300018402720	1	46	0.0	-70.39	344.42	7.33	-63.06
CSC1=CC=C(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C=C1C(=O)[O-]	REAL300018402820	0	52	0.0	-80.34	402.14	12.00	-68.34
CSC1=CC=C(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C=C1C(=O)[O-]	REAL300018402820	1	52	0.0	-80.27	402.08	11.99	-68.28
CSC1=CC=C(NC2CC[N@@H+]3CCCC3C2)C=C1C(=O)[O-]	REAL300018402852	0	43	0.0	-76.91	331.91	9.03	-67.88
CSC1=CC=C(NC2CC[N@H+]3CCCC3C2)C=C1C(=O)[O-]	REAL300018402852	1	43	0.0	-76.66	331.65	9.06	-67.60
CSC1=CC=C(NC2C[N@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300018402856	0	49	0.0	-78.85	385.72	11.80	-67.05
CSC1=CC=C(NC2C[N@@H+](CC3=CC=CC=C3)CC2C)C=C1C(=O)[O-]	REAL300018402856	1	49	0.0	-80.06	386.75	11.83	-68.23
CSC1=CC=C(NCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402939	0	54	0.0	-82.04	407.45	12.41	-69.63
CSC1=CC=C(NCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018402939	1	54	0.0	-82.01	410.38	12.53	-69.48
CSC1=CC=C(NCC2=CN=C(N3CC[NH+](C)CC3)N=C2)C=C1C(=O)[O-]	REAL300018402944	1	49	0.0	-79.54	395.46	9.17	-70.37
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)C=C1F	REAL300018405959	0	36	0.0	-35.18	338.24	10.72	-24.46
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405961	0	42	0.0	-30.19	359.12	11.04	-19.15
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=CC=C1F	REAL300018405962	0	36	0.0	-32.87	336.32	10.65	-22.22
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(Br)C(Cl)=C1	REAL300018405963	0	37	0.0	-31.23	341.56	9.98	-21.25
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)C1	REAL300018405964	0	42	0.0	-31.90	351.30	10.58	-21.32
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=CC(C)=C1	REAL300018405965	0	39	0.0	-30.56	354.35	11.34	-19.22
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)CC1	REAL300018405967	0	45	0.0	-27.29	359.12	11.31	-15.98
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=C(Br)C(Cl)=C1	REAL300018405968	0	31	0.0	-35.26	301.15	8.02	-27.24
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405969	0	36	0.0	-31.05	313.77	9.43	-21.62
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=C(Br)C(Cl)=C1	REAL300018405970	0	34	0.0	-30.85	300.11	6.94	-23.91
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405971	0	44	0.0	-30.66	369.01	11.16	-19.50
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405972	0	41	0.0	-29.98	336.62	10.30	-19.68
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)S1	REAL300018405973	0	36	0.0	-28.36	345.13	10.70	-17.66
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=C(Br)C(Cl)=C1	REAL300018405974	0	35	0.0	-31.44	316.57	7.78	-23.66
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(Br)C(Cl)=C1	REAL300018405975	0	38	0.0	-33.52	346.11	9.81	-23.71
O=C([O-])C([NH2+]CC1=CN=CS1)C1=CC=C(Br)C(Cl)=C1	REAL300018405976	0	29	0.0	-32.00	294.95	7.22	-24.78
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(Br)C(Cl)=C1	REAL300018405977	0	37	0.0	-29.90	341.38	10.00	-19.90
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405978	0	33	0.0	-30.91	309.74	9.09	-21.82
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(Br)C(Cl)=C1	REAL300018405979	0	37	0.0	-34.00	342.88	10.03	-23.97
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=C1	REAL300018405980	0	36	0.0	-34.11	332.77	8.13	-25.98
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405981	0	36	0.0	-30.41	335.24	10.42	-19.99
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405983	0	33	0.0	-31.81	309.99	7.52	-24.29
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405984	0	36	0.0	-27.28	335.36	6.73	-20.55
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)S1	REAL300018405985	0	32	0.0	-31.48	316.92	7.94	-23.54
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405986	0	35	0.0	-42.06	322.81	10.06	-32.00
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)C=N1	REAL300018405987	0	34	0.0	-34.64	321.06	7.93	-26.71
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)S1	REAL300018405988	0	35	0.0	-31.30	338.40	8.69	-22.61
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=C(Br)C(Cl)=C1	REAL300018405989	0	36	0.0	-32.34	336.44	10.39	-21.95
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(Br)C(Cl)=C1	REAL300018405991	0	36	0.0	-33.00	321.26	9.48	-23.52
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=C(C)S1	REAL300018405992	0	36	0.0	-29.59	338.69	10.47	-19.12
CC([NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1)C1CCCC1	REAL300018405993	0	39	0.0	-28.37	329.00	10.02	-18.35
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405994	0	39	0.0	-30.76	328.29	10.08	-20.68
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405996	0	36	0.0	-26.65	322.21	7.69	-18.96
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=C(Br)C(Cl)=C1	REAL300018405997	0	39	0.0	-29.64	330.61	9.95	-19.69
CN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=N1	REAL300018405998	1	33	0.0	-29.23	313.09	7.69	-21.54
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=C(Br)C(Cl)=C1	REAL300018405999	0	36	0.0	-35.46	336.47	8.56	-26.90
CC1=NSC(C[NH2+]C(C(=O)[O-])C2=CC=C(Br)C(Cl)=C2)=C1	REAL300018406000	0	32	0.0	-36.05	318.07	8.42	-27.63
O=C([O-])C1=CC2=CC=CN=C2C(NCC2=CC=C(N3CCCC3)[NH+]=C2)=C1	REAL300018408894	1	46	0.0	-62.93	365.77	8.29	-54.64
C[NH+]1CCN(C2=CC=C(CNC3=CC(C(=O)[O-])=CC4=CC=CN=C43)C=C2)CC1	REAL300018408906	0	52	0.0	-81.91	405.45	9.32	-72.59
O=C([O-])C1=CC2=CC=CN=C2C(NC2CC[NH+](CC3=CC=C(Cl)C=C3)CC2)=C1	REAL300018408910	0	50	0.0	-74.02	406.30	11.74	-62.28
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C[NH+](C)CCOC1=CC=C(CNC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C=C1	REAL300018408925	0	50	0.0	-78.20	401.57	9.90	-68.30
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C1	REAL300018408970	0	50	0.0	-67.15	390.26	11.30	-55.85
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)C1	REAL300018408970	1	50	0.0	-67.60	390.66	11.29	-56.31
O=C([O-])C1=CC2=CC=CN=C2C(NC2CC[NH+](CC3CC3)CC2)=C1	REAL300018408971	0	47	0.0	-67.32	362.15	9.86	-57.46
CC(C)C[NH+]1CCC(NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC1	REAL300018408980	0	49	0.0	-66.56	369.54	9.74	-56.82
O=C([O-])C1=CC2=CC=CN=C2C(NC2CC[NH+](CC3=CC=NC=C3)CC2)=C1	REAL300018408987	0	49	0.0	-71.90	384.64	9.48	-62.42
CC(C)(C)[NH+]1CCC(NC2=CC(C(=O)[O-])=CC3=CC=CN=C32)CC1	REAL300018408988	0	49	0.0	-63.63	359.89	9.05	-54.58
O=C([O-])C1=CC2=CC=CN=C2C(NC2CC[NH+](CCN3CCOCC3)CC2)=C1	REAL300018408994	0	56	0.0	-71.56	419.06	6.76	-64.80
O=C([O-])CN1N=CC2=CC=C(NCC3=CC=C(N4CCCC4)[NH+]=C3)C=C21	REAL300018415451	1	47	0.0	-70.48	380.76	8.10	-62.38
C[NH+]1CCN(C2=CC=C(CNC3=CC=C4C=NN(CC(=O)[O-])C4=C3)C=C2)CC1	REAL300018415463	0	53	0.0	-79.54	416.45	9.14	-70.40
O=C([O-])CN1N=CC2=CC=C(NC3CC[NH+](CC4=CC=C(Cl)C=C4)CC3)C=C21	REAL300018415467	0	51	0.0	-87.89	417.25	11.57	-76.32
O=C([O-])CN1N=CC2=CC=C(NC3CC[NH+](CC4=CC=CC=C4Cl)CC3)C=C21	REAL300018415468	0	51	0.0	-81.10	413.75	11.52	-69.58
O=C([O-])CN1N=CC2=CC=C(NC3CC[NH+](CC4=CC=CC=N4)CC3)C=C21	REAL300018415469	0	50	0.0	-82.84	396.15	9.22	-73.62
O=C([O-])CN1N=CC2=CC=C(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)C=C21	REAL300018415474	0	55	0.0	-78.23	436.12	11.03	-67.20
C[NH+](C)CCOC1=CC=C(CNC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C=C1	REAL300018415482	0	51	0.0	-78.92	412.57	9.73	-69.19
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C1	REAL300018415527	0	51	0.0	-78.20	401.23	11.12	-67.08
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C1	REAL300018415527	1	51	0.0	-79.62	401.54	11.11	-68.51
O=C([O-])CN1N=CC2=CC=C(NC3CC[NH+](CC4CC4)CC3)C=C21	REAL300018415528	0	48	0.0	-80.62	373.17	9.67	-70.95
CC(C)C[NH+]1CCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC1	REAL300018415537	0	50	0.0	-80.02	380.54	9.57	-70.45
O=C([O-])CN1N=CC2=CC=C(NC3CC[NH+](CC4=CC=NC=C4)CC3)C=C21	REAL300018415544	0	50	0.0	-89.61	395.23	9.23	-80.38
CC(C)(C)[NH+]1CCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC1	REAL300018415545	0	50	0.0	-75.84	370.83	8.88	-66.96
O=C([O-])CN1N=CC2=CC=C(NC3CC[NH+](CCN4CCOCC4)CC3)C=C21	REAL300018415551	0	57	0.0	-84.64	429.48	6.53	-78.11
CC1CCCCC1[NH+]1CCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC1	REAL300018415571	0	57	0.0	-79.04	410.51	10.98	-68.06
CC(C)(CNC1=CC=C2C=NN(CC(=O)[O-])C2=C1)[NH+]1CCOCC1	REAL300018415611	0	48	0.0	-70.32	359.58	6.85	-63.47
CC1CC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018415719	0	54	0.0	-81.10	417.15	11.52	-69.58
CC1CC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018415719	1	54	0.0	-81.00	417.26	11.53	-69.47
O=C([O-])CN1N=CC2=CC=C(NC3CC[N@@H+]4CCCC4C3)C=C21	REAL300018415750	0	45	0.0	-76.99	346.88	8.55	-68.44
O=C([O-])CN1N=CC2=CC=C(NC3CC[N@H+]4CCCC4C3)C=C21	REAL300018415750	1	45	0.0	-77.62	346.76	8.57	-69.05
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=C2C=NN(CC(=O)[O-])C2=C1	REAL300018415754	0	51	0.0	-83.01	405.00	11.04	-71.97
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=C2C=NN(CC(=O)[O-])C2=C1	REAL300018415754	1	51	0.0	-80.79	405.62	11.02	-69.77
CC1CC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC[N@@H+]1C	REAL300018415803	0	44	0.0	-78.72	333.58	7.65	-71.07
CC1CC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)CC[N@H+]1C	REAL300018415803	1	44	0.0	-72.87	337.10	8.22	-64.65
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C2C=NN(CC(=O)[O-])C2=C1	REAL300018415837	0	56	0.0	-82.72	422.59	11.94	-70.78
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C2C=NN(CC(=O)[O-])C2=C1	REAL300018415837	1	56	0.0	-82.76	426.31	12.08	-70.68
C[NH+]1CCN(C2=NC=C(CNC3=CC=C4C=NN(CC(=O)[O-])C4=C3)C=N2)CC1	REAL300018415842	1	51	0.0	-80.26	410.60	8.71	-71.55
C[NH+](C)CCC1=CC=C(CNC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C=C1	REAL300018415908	0	50	0.0	-80.90	405.17	10.81	-70.09
O=C([O-])CN1N=CC2=CC=C(NCC3=CC4=C[NH+]=CC=C4N3)C=C21	REAL300018415975	0	39	0.0	-75.22	334.38	6.70	-68.52
COC1=CC=CC(C[NH+]2CCC(NC3=CC=C4C=NN(CC(=O)[O-])C4=C3)CC2)=C1	REAL300018415984	0	55	0.0	-84.74	430.07	10.35	-74.39
CC(C)(C)[N@@H+]1CCCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C1	REAL300018415995	0	50	0.0	-75.19	370.72	8.84	-66.35
CC(C)(C)[N@H+]1CCCC(NC2=CC=C3C=NN(CC(=O)[O-])C3=C2)C1	REAL300018415995	1	50	0.0	-71.15	366.92	9.28	-61.87
CC([NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-])C1(C(=O)[O-])CCOCC1	REAL300018418464	0	42	0.0	-37.09	330.83	8.00	-29.09
CC([NH2+]C1CC(C)(C)CC(C)(C)C1)C1(C(=O)[O-])CCOCC1	REAL300018418465	0	55	0.0	-34.58	360.44	7.95	-26.63
CC([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418466	0	47	0.0	-39.63	352.60	9.06	-30.57
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418467	0	53	0.0	-44.46	374.90	8.68	-35.78
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(Cl)=C1OC	REAL300018418468	0	48	0.0	-39.26	368.94	6.70	-32.56
CC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418469	0	47	0.0	-43.30	361.65	9.53	-33.77
CC([NH2+]CC1=CC2=CC=CC=C2S1)C1(C(=O)[O-])CCOCC1	REAL300018418470	0	43	0.0	-42.65	331.55	8.34	-34.31
CC(C)OC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418471	0	50	0.0	-43.18	363.44	7.74	-35.44
CCCCCCCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418472	0	62	0.0	-41.80	453.14	11.07	-30.73
CC(C[NH2+]C(C)C1(C(=O)[O-])CCOCC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018418473	0	61	0.0	-40.79	427.22	11.26	-29.53
CC([NH2+]CC1=C2NC=CC2=CC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418474	0	44	0.0	-41.07	325.53	6.80	-34.27
CC([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1(C(=O)[O-])CCOCC1	REAL300018418475	0	39	0.0	-46.87	314.40	6.60	-40.27
CC([NH2+]CC1=CC=CC=C1N1CCOCC1)C1(C(=O)[O-])CCOCC1	REAL300018418476	0	53	0.0	-35.05	378.93	6.37	-28.68
CC(C)CC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418477	0	52	0.0	-39.45	375.48	9.60	-29.85
CC1=CC=C(C2=CC=CC(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=C2)C=C1	REAL300018418478	0	53	0.0	-41.10	389.97	10.89	-30.21
COC1=CC=C(Br)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418479	0	44	0.0	-40.17	339.19	6.80	-33.37
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1[N+](=O)[O-]	REAL300018418480	0	46	0.0	-56.73	349.88	7.54	-49.19
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418481	0	40	0.0	-41.57	327.82	7.82	-33.75
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418482	0	53	0.0	-40.89	390.87	10.96	-29.93
CC([NH2+]CC1=CC=CC(OC(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418483	0	44	0.0	-42.23	333.61	6.39	-35.84
CC([NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418484	0	50	0.0	-43.42	388.08	7.70	-35.72
CCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OCC	REAL300018418485	0	54	0.0	-44.09	396.81	7.84	-36.25
CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418486	0	43	0.0	-43.37	346.25	8.22	-35.15
CC([NH2+]CC1=CC=C(F)C=C1Br)C1(C(=O)[O-])CCOCC1	REAL300018418487	0	40	0.0	-37.51	316.98	7.54	-29.97
CC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418488	0	43	0.0	-44.98	333.96	5.91	-39.07
CC([NH2+]CC1=CC=NC2=CC=CC=C12)C1(C(=O)[O-])CCOCC1	REAL300018418489	0	45	0.0	-46.53	330.74	7.17	-39.36
CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418490	0	44	0.0	-40.43	340.35	6.60	-33.83
CC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418491	0	46	0.0	-52.45	354.97	4.43	-48.02
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418492	0	54	0.0	-42.54	402.50	9.97	-32.57
CC(CCOCC1=CC=CC=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418493	0	53	0.0	-38.43	385.00	8.28	-30.15
CC([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418494	0	47	0.0	-42.53	352.10	9.05	-33.48
CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418495	0	50	0.0	-43.04	385.23	10.86	-32.18
CC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418496	0	50	0.0	-41.45	385.29	10.73	-30.72
CC([NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1)C1(C(=O)[O-])CCOCC1	REAL300018418497	0	50	0.0	-46.15	393.64	9.69	-36.46
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C2=CC=CC=C12	REAL300018418498	0	50	0.0	-42.90	363.60	8.41	-34.49
CC([NH2+]CC1=NC2=CC=CC=C2N1C)C1(C(=O)[O-])CCOCC1	REAL300018418499	0	46	0.0	-49.01	340.77	7.15	-41.86
CC([NH2+]CC1=CC=C2OCCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418500	0	45	0.0	-41.88	330.24	6.65	-35.23
CC([NH2+]CC1=CSC(Br)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418501	0	37	0.0	-41.30	305.95	6.57	-34.73
CC([NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418502	0	53	0.0	-37.27	399.07	8.49	-28.78
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C(C2=CC=CC=C2)C=C1OC	REAL300018418503	0	58	0.0	-40.37	425.50	9.48	-30.89
CC([NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1)C1(C(=O)[O-])CCOCC1	REAL300018418504	0	53	0.0	-36.69	399.05	8.49	-28.20
CC([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418505	0	51	0.0	-43.93	368.27	6.71	-37.22
CC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418506	0	48	0.0	-51.02	366.78	3.57	-47.45
CC([NH2+]CC1=C2C=CNC2=CC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418507	0	44	0.0	-38.81	325.35	6.82	-31.99
CC([NH2+]CC1=CC=C2C=CNC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418508	0	44	0.0	-42.08	325.72	6.83	-35.25
CC([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1(C(=O)[O-])CCOCC1	REAL300018418509	0	43	0.0	-40.40	333.85	6.01	-34.39
CC([NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418510	0	54	0.0	-40.18	384.99	8.63	-31.55
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418511	0	55	0.0	-37.26	372.66	9.75	-27.51
CC([NH2+]CC1=CC=CC=C1N(C)C)C1(C(=O)[O-])CCOCC1	REAL300018418512	0	48	0.0	-34.64	347.38	6.94	-27.70
CC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418513	0	49	0.0	-41.40	363.58	8.45	-32.95
CC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418514	0	49	0.0	-43.00	363.77	8.46	-34.54
CC([NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418515	1	57	0.0	-41.12	403.50	5.61	-35.51
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418516	0	56	0.0	-38.54	397.16	4.38	-34.16
CC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418517	0	49	0.0	-46.79	375.58	5.37	-41.42
CC([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418518	0	50	0.0	-42.52	352.04	4.64	-37.88
CC([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418519	0	55	0.0	-40.66	400.18	7.72	-32.94
CC([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418520	0	55	0.0	-36.16	402.40	8.06	-28.10
CC([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418521	0	54	0.0	-40.53	379.77	5.91	-34.62
CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418522	0	47	0.0	-43.45	359.59	8.08	-35.37
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418523	0	53	0.0	-44.74	407.52	9.43	-35.31
CC([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418524	0	47	0.0	-43.09	369.91	8.53	-34.56
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418525	0	53	0.0	-45.77	405.25	9.24	-36.53
CC([NH2+]CC1=CN(C(C)(C)C)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418526	0	49	0.0	-39.72	357.13	6.62	-33.10
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC(C)=C1OCC1=CC=CC=N1	REAL300018418527	0	59	0.0	-43.00	440.18	9.90	-33.10
CC([NH2+]CC1=C(Cl)C=CC=C1N1CCN(C)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418528	1	57	0.0	-34.85	418.03	6.71	-28.14
CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418530	0	47	0.0	-44.12	365.22	7.61	-36.51
CC([NH2+]CC1=CC(Cl)=CC=C1OC(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418532	0	44	0.0	-41.92	348.91	7.08	-34.84
CC([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418533	0	47	0.0	-44.38	378.87	10.20	-34.18
CC([NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418534	0	50	0.0	-43.22	376.51	5.40	-37.82
COC1=CC=CC(C2=NNC=C2C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418535	0	51	0.0	-46.86	379.91	6.03	-40.83
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1OCC(F)(F)F	REAL300018418536	0	51	0.0	-47.53	394.53	7.39	-40.14
CC([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418537	0	50	0.0	-48.47	363.31	6.78	-41.69
CC([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418538	0	53	0.0	-44.86	400.44	8.41	-36.45
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418539	0	53	0.0	-41.62	398.39	8.39	-33.23
CC(C)C1=NN(C)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418541	0	49	0.0	-42.91	359.50	6.54	-36.37
CC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418542	0	50	0.0	-47.84	393.82	9.08	-38.76
COCCOC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418543	0	51	0.0	-39.49	379.34	6.30	-33.19
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1Cl	REAL300018418544	0	44	0.0	-44.94	339.89	6.66	-38.28
CC([NH2+]CC1=CC2=CC(Br)=CC=C2OC1)C1(C(=O)[O-])CCOCC1	REAL300018418545	0	46	0.0	-44.70	361.65	8.02	-36.68
CC([NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)C1(C(=O)[O-])CCOCC1	REAL300018418546	0	46	0.0	-47.20	373.18	8.46	-38.74
CC([NH2+]CC1=CSC(C2=CC=CC=N2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418547	0	45	0.0	-49.30	354.56	5.83	-43.47
CC([NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2)C1(C(=O)[O-])CCOCC1	REAL300018418548	0	48	0.0	-39.14	358.56	6.63	-32.51
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418549	0	52	0.0	-47.46	375.74	8.38	-39.08
COC1=NC=C(Br)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418550	0	43	0.0	-38.96	341.37	4.29	-34.67
CC([NH2+]CC1=CC=C(Br)C=N1)C1(C(=O)[O-])CCOCC1	REAL300018418551	0	39	0.0	-45.40	310.58	5.68	-39.72
CC([NH2+]CC1=CN=C(N2CCOCC2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418552	0	49	0.0	-43.67	367.97	4.22	-39.45
CC([NH2+]CC1=CC=CC2=NC=CC=C12)C1(C(=O)[O-])CCOCC1	REAL300018418553	0	45	0.0	-46.22	330.37	7.18	-39.04
CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418554	0	47	0.0	-40.01	365.29	7.50	-32.51
CC([NH2+]CC1=CC=CC2=C1OCCO2)C1(C(=O)[O-])CCOCC1	REAL300018418555	0	46	0.0	-38.71	337.22	6.13	-32.58
CC([NH2+]CC1=CC=CC2=C1OCCCO2)C1(C(=O)[O-])CCOCC1	REAL300018418556	0	49	0.0	-38.09	354.11	6.94	-31.15
CC([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418557	0	47	0.0	-39.68	349.73	9.05	-30.63
CC([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418558	0	47	0.0	-39.60	354.30	9.14	-30.46
CC([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1(C(=O)[O-])CCOCC1	REAL300018418559	0	47	0.0	-38.35	351.44	8.98	-29.37
CC([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418560	0	48	0.0	-48.85	363.45	8.19	-40.66
CC([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418561	0	51	0.0	-48.48	372.44	5.28	-43.20
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418562	0	52	0.0	-38.89	380.15	8.87	-30.02
CCCOC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418563	0	50	0.0	-38.05	367.21	7.83	-30.22
C#CCCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418564	0	49	0.0	-43.02	372.93	8.47	-34.55
CC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1(C(=O)[O-])CCOCC1	REAL300018418565	0	47	0.0	-42.39	360.34	9.49	-32.90
CC([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418566	0	47	0.0	-45.16	371.07	9.58	-35.58
CC1=C2C=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=NC2=NN1	REAL300018418567	0	45	0.0	-55.55	337.41	5.33	-50.22
CC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418568	0	54	0.0	-38.32	387.88	9.06	-29.26
CC([NH2+]CC1=CC=CC=C1N1C=NC=N1)C1(C(=O)[O-])CCOCC1	REAL300018418569	0	46	0.0	-35.37	338.66	9.99	-25.38
CC([NH2+]CC1=CN(C)N=C1C1=CC=CN=C1)C1(C(=O)[O-])CCOCC1	REAL300018418570	0	49	0.0	-48.64	368.78	6.28	-42.36
CC([NH2+]CC1=CN(C)N=C1C1=CC=NC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418571	0	49	0.0	-52.83	368.79	6.29	-46.54
CC([NH2+]CC1=CN=C2C=CC=CN12)C1(C(=O)[O-])CCOCC1	REAL300018418572	0	43	0.0	-45.46	321.13	7.34	-38.12
CC([NH2+]CC1=CN=C(N(C)C)S1)C1(C(=O)[O-])CCOCC1	REAL300018418573	0	44	0.0	-42.27	335.35	5.89	-36.38
CC(C)OC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418574	0	50	0.0	-37.88	362.71	7.72	-30.16
CC([NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1)C1(C(=O)[O-])CCOCC1	REAL300018418575	0	53	0.0	-40.15	403.16	8.92	-31.23
CC1=CC=C(C2=NC(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=CS2)C=C1	REAL300018418576	0	49	0.0	-44.26	380.54	8.37	-35.89
CC(C)C1=NC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CS1	REAL300018418577	0	45	0.0	-41.33	342.12	5.84	-35.49
CC([NH2+]CC1=CSC(C2CC2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418578	0	43	0.0	-42.84	330.75	6.13	-36.71
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418579	0	54	0.0	-40.76	409.34	10.25	-30.51
CC([NH2+]CC1=CSC(COC2=CC=CC=C2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418580	0	50	0.0	-46.45	390.78	7.10	-39.35
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418581	0	49	0.0	-40.34	357.39	9.07	-31.27
CC1=CC=CC(CCC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418582	0	52	0.0	-37.64	372.39	9.67	-27.97
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418583	0	52	0.0	-40.73	390.04	10.03	-30.70
CC1=CC=C(CCC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418584	0	52	0.0	-39.72	366.43	9.37	-30.35
CC([NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418585	0	55	0.0	-35.86	400.73	7.70	-28.16
CC([NH2+]C1CCN(C(C)C2=CC=CC=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418586	0	55	0.0	-36.11	384.90	7.45	-28.66
CC([NH2+]CC1=CN(C)N=C1C1=CC=C([N+](=O)[O-])C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418587	0	52	0.0	-57.28	402.02	8.71	-48.57
CC([NH2+]C1CCN(CC2CC2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418588	1	52	0.0	-34.96	358.71	6.09	-28.87
CC1=CC=C(OCC2=NC(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=CS2)C=C1	REAL300018418589	0	53	0.0	-46.38	412.19	7.78	-38.60
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418590	0	63	0.0	-42.34	449.00	10.96	-31.38
CC([NH2+]CC1=CSC(C(C)(C)C)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418591	0	48	0.0	-40.94	361.05	6.34	-34.60
CC([NH2+]CC1=CSC(C2=CSC=C2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418592	0	43	0.0	-44.00	350.17	6.64	-37.36
CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418593	0	47	0.0	-45.36	368.55	9.76	-35.60
CC([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418594	0	52	0.0	-39.54	378.33	7.61	-31.93
CC([NH2+]CC1=CC2=NC=CN=C2C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418595	0	44	0.0	-47.76	330.39	5.22	-42.54
CC([NH2+]CC1=CC=CC=C1OC1CCCC1)C1(C(=O)[O-])CCOCC1	REAL300018418596	0	54	0.0	-34.77	388.01	9.17	-25.60
CC([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1(C(=O)[O-])CCOCC1	REAL300018418597	0	43	0.0	-45.31	338.05	7.81	-37.50
CC([NH2+]CC1=CN=C(C(C)(C)C)S1)C1(C(=O)[O-])CCOCC1	REAL300018418598	0	48	0.0	-41.54	361.13	6.69	-34.85
CC(C)CN1CCC([NH2+]C(C)C2(C(=O)[O-])CCOCC2)CC1	REAL300018418599	1	54	0.0	-37.42	366.40	6.26	-31.16
CC1=CC=C(C2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)S2)C=C1	REAL300018418600	0	50	0.0	-42.97	383.54	10.37	-32.60
CC([NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418601	0	46	0.0	-49.20	360.39	7.23	-41.97
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418602	0	44	0.0	-40.51	356.55	7.34	-33.17
C#CCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418603	0	46	0.0	-44.02	351.43	7.70	-36.32
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418604	0	52	0.0	-41.86	386.81	10.19	-31.67
CC([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418605	0	51	0.0	-43.01	396.98	9.92	-33.09
CCOC1=C(OC)C=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OC	REAL300018418606	0	55	0.0	-48.99	408.05	6.98	-42.01
CC([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418607	0	54	0.0	-42.47	378.37	5.45	-37.02
CC([NH2+]C1CCN(C(C)(C)C)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418608	1	54	0.0	-37.51	355.26	5.32	-32.19
COCCCOC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418609	0	54	0.0	-39.67	400.88	6.90	-32.77
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1SC	REAL300018418610	0	48	0.0	-44.14	363.26	7.15	-36.99
CCC(C)OC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1OC	REAL300018418611	0	57	0.0	-44.75	412.81	8.37	-36.38
C=C(C)COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1OC	REAL300018418612	0	55	0.0	-44.35	406.94	8.27	-36.08
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OCCC(C)C	REAL300018418613	0	60	0.0	-43.68	435.52	9.03	-34.65
CC([NH2+]C1CCN(CCN2CCOCC2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418614	0	61	0.0	-39.88	412.49	2.74	-37.14
CCOCC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1OC	REAL300018418615	0	54	0.0	-42.12	397.94	7.02	-35.10
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1(C(=O)[O-])CCOCC1	REAL300018418616	0	47	0.0	-48.71	353.69	6.83	-41.88
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418617	0	49	0.0	-44.94	372.49	7.88	-37.06
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418618	0	50	0.0	-42.65	391.86	5.41	-37.24
CCCC(CC1=CC=CC=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418619	0	52	0.0	-34.49	366.77	9.58	-24.91
CC([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C1(C(=O)[O-])CCOCC1	REAL300018418620	0	46	0.0	-52.55	347.20	6.75	-45.80
CC([NH2+]CC1=NC(C2=CC=CC=C2)=CS1)C1(C(=O)[O-])CCOCC1	REAL300018418621	0	46	0.0	-37.80	357.50	7.57	-30.23
CCN1N=C(C)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1C	REAL300018418622	0	49	0.0	-41.99	357.99	6.56	-35.43
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418623	0	52	0.0	-41.67	383.75	9.70	-31.97
C=CCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1Cl	REAL300018418624	0	48	0.0	-44.95	374.64	8.17	-36.78
CC([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418625	0	46	0.0	-43.88	359.32	7.93	-35.95
COCCC(CC1=CC=CC(F)=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418626	0	53	0.0	-39.20	381.27	7.66	-31.54
CC(C)CCC1CCCC1[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418627	0	55	0.0	-35.86	375.98	8.99	-26.87
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C2OC(C)CC2=C1	REAL300018418628	0	52	0.0	-37.72	380.73	6.78	-30.94
CC([NH2+]CC1=NN(C)C2=CC=CC=C21)C1(C(=O)[O-])CCOCC1	REAL300018418629	0	46	0.0	-40.87	344.24	6.83	-34.04
CC([NH2+]CC1=C2C=CC=CC2=NN1)C1(C(=O)[O-])CCOCC1	REAL300018418630	0	43	0.0	-50.20	321.18	5.52	-44.68
CC([NH2+]CC1=NNC2=CC=CC=C21)C1(C(=O)[O-])CCOCC1	REAL300018418630	1	43	0.0	-45.00	321.38	5.54	-39.46
CC([NH2+]CC1=CC=C(N(C)C)C(F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418631	0	48	0.0	-41.41	355.26	6.35	-35.06
CC([NH2+]CC1=NC=CN1CC(F)(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418632	0	43	0.0	-45.23	331.56	6.29	-38.94
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418634	0	55	0.0	-36.55	395.85	10.14	-26.41
CC([NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418635	0	49	0.0	-46.73	385.19	6.37	-40.36
CC([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418636	0	51	0.0	-42.40	371.76	8.04	-34.36
CC([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418637	0	46	0.0	-40.99	350.95	5.33	-35.66
CC([NH2+]CC1=CSC(C2=CC=CS2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418638	0	43	0.0	-45.13	350.77	6.73	-38.40
CC1=CC=CC(C2=NNC=C2C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418639	0	50	0.0	-43.33	371.83	7.40	-35.93
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC(C(F)(F)F)=C1	REAL300018418640	0	47	0.0	-43.23	362.91	7.12	-36.11
CC([NH2+]CC1=CC=C(Br)C=C1Cl)C1(C(=O)[O-])CCOCC1	REAL300018418641	0	40	0.0	-37.44	328.29	7.99	-29.45
CC(CSC(C)(C)C)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418642	0	49	0.0	-38.88	350.30	7.65	-31.23
CC([NH2+]CC1=CN=C(N(C)C)N1C)C1(C(=O)[O-])CCOCC1	REAL300018418643	0	48	0.0	-44.20	346.74	6.30	-37.90
CC([NH2+]CC1=NC(C2=CC=CC=C2)=CN1)C1(C(=O)[O-])CCOCC1	REAL300018418644	0	47	0.0	-49.43	353.27	7.10	-42.33
CC(C)COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418645	0	53	0.0	-41.63	387.25	8.64	-32.99
COCCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418646	0	51	0.0	-43.63	379.27	6.42	-37.21
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418647	0	49	0.0	-27.80	350.93	8.83	-18.97
CC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418648	0	44	0.0	-44.74	349.64	6.93	-37.81
CC([NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418649	0	48	0.0	-47.78	387.34	8.37	-39.41
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418650	0	51	0.0	-38.79	360.29	7.93	-30.86
CC([NH2+]CC1=CC=C2CCCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418651	0	47	0.0	-38.92	339.89	8.72	-30.20
CC1=CC=CC=C1CC(C)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418652	0	49	0.0	-40.78	345.03	8.65	-32.13
CC1=CC=CC(CC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418653	0	49	0.0	-39.39	350.26	8.87	-30.52
COC1=CC2=C(C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1)OCO2	REAL300018418654	0	47	0.0	-41.53	348.46	4.93	-36.60
COC1=CC(Cl)=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OC	REAL300018418655	0	48	0.0	-44.94	364.83	6.59	-38.35
CC(C)COC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418656	0	53	0.0	-37.86	387.31	8.53	-29.33
CC([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418657	0	60	0.0	-43.39	434.29	5.76	-37.63
CC([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1(C(=O)[O-])CCOCC1	REAL300018418658	0	46	0.0	-44.96	340.80	9.09	-35.87
C=CCOC1=C(Cl)C=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OC	REAL300018418659	0	52	0.0	-44.40	407.81	8.17	-36.23
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1CN1C=CC=N1	REAL300018418660	0	54	0.0	-41.48	406.57	7.79	-33.69
CC(C)COC1=CC=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418661	0	53	0.0	-35.00	385.90	8.71	-26.29
CC([NH2+]CC1=CC=CC2=C1OC(C)(C)C2)C1(C(=O)[O-])CCOCC1	REAL300018418662	0	51	0.0	-35.61	371.50	8.14	-27.47
CC([NH2+]CC1=C(Cl)C=NC=C1Cl)C1(C(=O)[O-])CCOCC1	REAL300018418663	0	39	0.0	-36.49	317.76	5.96	-30.53
CC([NH2+]CC1=NC2=C(CCCC2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418664	0	46	0.0	-36.10	342.87	6.54	-29.56
CC([NH2+]CC1=CC=NC=C1Br)C1(C(=O)[O-])CCOCC1	REAL300018418665	0	39	0.0	-38.35	305.97	5.68	-32.67
CC([NH2+]CC(C)(C)N1CCOCC1)C1(C(=O)[O-])CCOCC1	REAL300018418666	0	52	0.0	-38.30	347.86	3.77	-34.53
CC([NH2+]CC1=CC(F)=CC(Br)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418667	0	40	0.0	-42.35	322.06	7.49	-34.86
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418668	0	46	0.0	-40.91	343.89	8.35	-32.56
CC([NH2+]CC1=CN(C)N=C1C1=CC=CC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418669	0	50	0.0	-43.35	373.40	8.04	-35.31
CC([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418670	0	47	0.0	-47.32	352.77	8.00	-39.32
CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-])C1(C(=O)[O-])CCOCC1	REAL300018418671	0	45	0.0	-41.36	352.82	8.51	-32.85
CC([NH2+]CC1=CC2=CC=NC=C2C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418672	0	45	0.0	-44.76	335.35	7.29	-37.47
CC1=C(Br)SC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418673	0	40	0.0	-43.47	325.77	7.34	-36.13
CC([NH2+]CC1=CC=CC2=NNC=C21)C1(C(=O)[O-])CCOCC1	REAL300018418674	0	43	0.0	-50.01	320.42	5.62	-44.39
CC([NH2+]CC1=CC=CC2=CNN=C21)C1(C(=O)[O-])CCOCC1	REAL300018418675	0	43	0.0	-37.77	320.56	5.61	-32.16
CC([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C1(C(=O)[O-])CCOCC1	REAL300018418676	0	43	0.0	-44.22	343.52	7.94	-36.28
CC([NH2+]C1CCN(S(C)(=O)=O)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418677	0	48	0.0	-44.72	344.43	2.54	-42.18
COC1=CC(F)=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418678	0	44	0.0	-41.73	330.27	6.17	-35.56
CC([NH2+]CC1=CN=C(C(C)(C)C)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418679	0	50	0.0	-46.19	365.91	6.86	-39.33
COC1=CC=CC=C1N1CCC([NH2+]C(C)C2(C(=O)[O-])CCOCC2)CC1	REAL300018418680	0	56	0.0	-37.53	394.93	6.83	-30.70
CC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(Cl)=C1	REAL300018418681	0	43	0.0	-41.49	327.54	8.06	-33.43
COC1=CC=C(OC(F)F)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418682	0	48	0.0	-41.78	361.65	5.84	-35.94
CC([NH2+]CC1=C(Cl)C=CC=C1OC(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418683	0	44	0.0	-34.75	346.33	6.84	-27.91
CC([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418684	0	42	0.0	-50.38	335.03	7.85	-42.53
CC([NH2+]CCC1=CC=CC(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418685	0	43	0.0	-39.85	332.53	8.19	-31.66
CC([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418686	0	60	0.0	-39.57	448.61	11.64	-27.93
CC([NH2+]C1CCCC1C1=CC=CC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418687	0	50	0.0	-42.08	347.86	8.89	-33.19
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1OC1=CC=CN=C1	REAL300018418688	0	53	0.0	-43.55	398.61	8.70	-34.85
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418689	0	46	0.0	-40.73	347.38	8.41	-32.32
CC1=CC=C(C2=NC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)S2)C=C1	REAL300018418690	0	49	0.0	-43.81	380.72	8.61	-35.20
CC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1(C(=O)[O-])CCOCC1	REAL300018418691	0	45	0.0	-37.22	350.80	7.95	-29.27
CC([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1(C(=O)[O-])CCOCC1	REAL300018418692	0	45	0.0	-35.18	348.10	7.73	-27.45
CC([NH2+]CC1=CC=C(F)C2=CC=CN=C12)C1(C(=O)[O-])CCOCC1	REAL300018418693	0	45	0.0	-38.55	339.70	7.49	-31.06
CC([NH2+]CC1=CC(F)=CC2=CC=CN=C21)C1(C(=O)[O-])CCOCC1	REAL300018418694	0	45	0.0	-38.04	340.51	7.52	-30.52
CC([NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)C1(C(=O)[O-])CCOCC1	REAL300018418695	0	45	0.0	-37.93	348.55	7.87	-30.06
CC([NH2+]CC1=CC=C(S(C)=O)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418696	0	45	0.0	-49.07	346.50	5.51	-43.56
CC([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1(C(=O)[O-])CCOCC1	REAL300018418697	0	42	0.0	-44.93	335.23	8.03	-36.90
CC(C)CCN1C=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418698	0	53	0.0	-37.47	381.26	9.30	-28.17
CC([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C1(C(=O)[O-])CCOCC1	REAL300018418699	0	47	0.0	-47.05	369.03	8.96	-38.09
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)O1	REAL300018418700	0	50	0.0	-43.51	381.51	9.43	-34.08
CCC1=CC=C(C2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)O2)C=C1	REAL300018418701	0	53	0.0	-43.23	397.48	10.13	-33.10
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(OC(F)F)=C1	REAL300018418702	0	48	0.0	-43.23	361.66	5.84	-37.39
CCN1C=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C2=CC=CC=C2)=N1	REAL300018418703	0	53	0.0	-48.31	395.17	8.96	-39.35
CC([NH2+]CC1=CC=C2CCCCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418704	0	50	0.0	-38.32	357.05	9.30	-29.02
CC([NH2+]C1CCC(C2CCCCC2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418705	0	59	0.0	-40.37	382.89	9.52	-30.85
CC1=CC=C(C(C)C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418706	0	49	0.0	-37.85	351.71	8.88	-28.97
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1C(C)(C)C	REAL300018418707	0	56	0.0	-39.50	395.02	8.79	-30.71
CC([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418708	0	53	0.0	-38.99	374.16	7.99	-31.00
CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418709	0	45	0.0	-52.45	348.46	1.87	-50.58
CC([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418710	0	47	0.0	-40.88	342.44	8.77	-32.11
CCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300018418711	0	50	0.0	-41.06	360.47	7.76	-33.30
COC1=CC(C)=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418712	0	47	0.0	-35.75	343.86	6.94	-28.81
CC([NH2+]CC1CCC2=CC=CC=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418713	0	50	0.0	-42.36	353.82	9.33	-33.03
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1N)C1(C(=O)[O-])CCOCC1	REAL300018418714	0	42	0.0	-42.23	335.95	6.00	-36.23
CC([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418715	0	50	0.0	-40.67	360.52	9.30	-31.37
COCC1=CSC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418716	0	44	0.0	-40.91	339.82	5.74	-35.17
CCCC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)S1	REAL300018418717	0	46	0.0	-38.64	349.44	8.26	-30.38
CC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=CC=C1[N+](=O)[O-]	REAL300018418718	0	45	0.0	-48.32	332.92	8.01	-40.31
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1Br	REAL300018418719	0	43	0.0	-41.14	333.85	7.99	-33.15
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1Cl	REAL300018418720	0	44	0.0	-43.67	339.88	6.66	-37.01
COC1=CC=CC(C)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418721	0	47	0.0	-33.50	339.52	6.68	-26.82
CC([NH2+]CC1=C2OC=CC2=CC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418722	0	43	0.0	-38.69	321.64	7.24	-31.45
CC([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418723	0	47	0.0	-45.22	353.24	7.91	-37.31
CC([NH2+]CC1=CN=C(C(F)(F)F)S1)C1(C(=O)[O-])CCOCC1	REAL300018418724	0	39	0.0	-41.39	314.05	5.18	-36.21
CC([NH2+]CC1=NN2CCCCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418725	0	47	0.0	-41.86	338.95	6.13	-35.73
COC1=NC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)S1	REAL300018418726	0	40	0.0	-44.31	311.80	2.52	-41.79
CC([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418727	0	44	0.0	-39.75	332.69	8.37	-31.38
CC([NH2+]CC1=CC2=C(C=N1)OCCO2)C1(C(=O)[O-])CCOCC1	REAL300018418728	0	45	0.0	-43.65	333.78	4.17	-39.48
CC([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1(C(=O)[O-])CCOCC1	REAL300018418729	0	43	0.0	-45.34	337.86	7.85	-37.49
CC1=CC=CN2C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=CN=C12	REAL300018418730	0	46	0.0	-45.34	342.58	7.94	-37.40
CC([NH2+]CC1=CN=C(Cl)N1C)C1(C(=O)[O-])CCOCC1	REAL300018418731	0	40	0.0	-46.01	310.63	5.79	-40.22
CC([NH2+]CC1=CN=C(Br)N1C)C1(C(=O)[O-])CCOCC1	REAL300018418732	0	40	0.0	-45.89	314.93	5.81	-40.08
CC([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1(C(=O)[O-])CCOCC1	REAL300018418733	0	46	0.0	-53.57	353.61	6.81	-46.76
CC([NH2+]CC1=CC(C(F)(F)F)=NN1)C1(C(=O)[O-])CCOCC1	REAL300018418734	0	40	0.0	-49.51	315.36	4.25	-45.26
CC([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1(C(=O)[O-])CCOCC1	REAL300018418735	0	44	0.0	-44.80	332.68	6.93	-37.87
CC([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1(C(=O)[O-])CCOCC1	REAL300018418736	0	44	0.0	-46.79	332.59	6.92	-39.87
CCOC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=N1	REAL300018418737	0	46	0.0	-45.26	343.31	4.50	-40.76
CC1=C(Cl)C=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418738	0	43	0.0	-40.95	323.75	7.91	-33.04
CC([NH2+]CC1=CC2=CC=NC=C2S1)C1(C(=O)[O-])CCOCC1	REAL300018418739	0	42	0.0	-46.72	326.42	6.65	-40.07
CC1=CC=CC2=NC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)N21	REAL300018418740	0	46	0.0	-44.35	330.37	7.69	-36.66
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418741	0	52	0.0	-42.82	378.07	7.61	-35.21
CC1=CC(Cl)=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418742	0	43	0.0	-38.70	332.49	7.97	-30.73
COCC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418743	0	47	0.0	-41.68	349.35	6.65	-35.03
COCC(CC(C)(C)C)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418744	0	52	0.0	-33.10	353.11	6.41	-26.69
CC([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418745	0	45	0.0	-46.55	341.77	7.25	-39.30
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC2=CC=CN=C12	REAL300018418746	0	48	0.0	-43.58	355.60	8.00	-35.58
CCCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1C	REAL300018418747	0	53	0.0	-40.51	387.28	8.58	-31.93
COC1=C(C)C=NC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1C	REAL300018418748	0	49	0.0	-41.95	356.82	5.71	-36.24
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418749	0	50	0.0	-38.25	368.13	8.57	-29.68
CC([NH2+]C1CCCCC12CCCC2)C1(C(=O)[O-])CCOCC1	REAL300018418750	0	53	0.0	-32.92	336.29	8.28	-24.64
CC([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C1(C(=O)[O-])CCOCC1	REAL300018418751	0	43	0.0	-53.80	347.38	3.60	-50.20
CC([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418752	0	42	0.0	-40.03	338.17	6.43	-33.60
CC([NH2+]CC1=CC=C(C2=CC=C(C(C)(C)C)C=C2)O1)C1(C(=O)[O-])CCOCC1	REAL300018418753	0	59	0.0	-42.94	430.71	11.00	-31.94
CC([NH2+]C1CCN(CC2=CC=CC=C2)C(C)C1)C1(C(=O)[O-])CCOCC1	REAL300018418754	0	58	0.0	-35.07	403.84	8.07	-27.00
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418755	0	60	0.0	-37.19	427.68	9.62	-27.57
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418756	0	60	0.0	-37.15	436.72	10.03	-27.12
CC([NH2+]CC1=CC=C(C(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418757	0	43	0.0	-43.03	326.48	7.78	-35.25
CC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1(C(=O)[O-])CCOCC1	REAL300018418758	0	42	0.0	-51.01	333.71	4.88	-46.13
CC([NH2+]CC1=CC=CC2=C1CCC2)C1(C(=O)[O-])CCOCC1	REAL300018418759	0	47	0.0	-37.91	338.66	8.64	-29.27
CC([NH2+]CC1=CN(C)N=C1[N+](=O)[O-])C1(C(=O)[O-])CCOCC1	REAL300018418760	0	42	0.0	-46.40	322.48	6.29	-40.11
CC([NH2+]CC1=NC(Cl)=CS1)C1(C(=O)[O-])CCOCC1	REAL300018418761	0	36	0.0	-37.44	296.12	4.36	-33.08
COC1=NSC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418762	0	40	0.0	-45.99	311.60	2.83	-43.16
CC([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1(C(=O)[O-])CCOCC1	REAL300018418763	0	43	0.0	-45.28	342.41	7.95	-37.33
CC([NH2+]CC1=NC=CC2=CC=CC=C21)C1(C(=O)[O-])CCOCC1	REAL300018418764	0	45	0.0	-36.37	332.09	7.07	-29.30
COC1=CC=CC(Cl)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418765	0	44	0.0	-32.83	336.58	6.57	-26.26
CC1=NC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)N1C1=CC=CC=C1	REAL300018418766	0	50	0.0	-42.00	374.95	9.25	-32.75
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418767	0	58	0.0	-43.35	429.45	11.69	-31.66
CCCN1N=C(C)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1C	REAL300018418768	0	52	0.0	-44.44	378.46	7.28	-37.16
CCN(CC)C1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1F	REAL300018418769	0	54	0.0	-45.69	393.64	8.04	-37.65
CCOC1CC([NH2+]C(C)C2(C(=O)[O-])CCOCC2)C12CCCC2	REAL300018418770	0	54	0.0	-32.12	374.63	7.87	-24.25
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C(SC)C=C1OC	REAL300018418771	0	52	0.0	-39.60	388.65	7.05	-32.55
CC([NH2+]C1CCN(C2=CC=C(N(C)C)C=C2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418772	0	60	0.0	-41.13	411.11	7.51	-33.62
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418773	0	51	0.0	-38.59	370.75	9.41	-29.18
CCCC(C[NH2+]C(C)C1(C(=O)[O-])CCOCC1)C1=CC=CC=C1	REAL300018418774	0	52	0.0	-38.33	371.34	9.62	-28.71
CC([NH2+]C1CC(C)CC(C2=CC=CC=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418775	0	56	0.0	-35.53	385.24	10.26	-25.27
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418776	0	50	0.0	-37.32	370.19	7.99	-29.33
CC([NH2+]CC1=NC2=CC=C(F)C=C2S1)C1(C(=O)[O-])CCOCC1	REAL300018418777	0	42	0.0	-39.03	332.43	6.31	-32.72
CC([NH2+]CC1=CC(F)=CC=C1OC(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418778	0	44	0.0	-42.81	338.58	6.63	-36.18
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC2=CC=CC=C21	REAL300018418779	0	50	0.0	-43.94	368.74	8.51	-35.43
CCOC1=CN=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418780	0	46	0.0	-42.39	340.64	5.21	-37.18
CCOC1=CC(F)=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418781	0	47	0.0	-41.75	352.12	7.10	-34.65
COC1=CC=C(C(C)C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418782	0	50	0.0	-40.18	359.78	7.49	-32.69
CC([NH2+]CC1=CC(C2CC2)=NN1C)C1(C(=O)[O-])CCOCC1	REAL300018418783	0	47	0.0	-46.11	346.61	6.58	-39.53
CC([NH2+]C1CCC2(CCCCC2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418784	0	56	0.0	-36.22	361.53	8.64	-27.58
CC([NH2+]C(C)C1(C(=O)[O-])CCOCC1)C(C)C1=CC=CC=C1	REAL300018418785	0	49	0.0	-35.31	344.55	8.55	-26.76
CC([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1(C(=O)[O-])CCOCC1	REAL300018418786	0	48	0.0	-42.07	341.48	7.79	-34.28
CC([NH2+]C1CN(CC2=CC=CC=C2)CC1C)C1(C(=O)[O-])CCOCC1	REAL300018418787	0	55	0.0	-34.89	387.18	7.04	-27.85
COC1=CC=CC2=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=CC=C12	REAL300018418788	0	50	0.0	-42.93	363.64	8.41	-34.52
CC([NH2+]CC1=CC=NN1CC1CC1)C1(C(=O)[O-])CCOCC1	REAL300018418789	0	47	0.0	-44.92	348.56	6.93	-37.99
CC(CCC1=CC=CN=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418790	0	48	0.0	-40.84	345.81	7.21	-33.63
CC(C)C1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418791	0	49	0.0	-38.03	354.57	8.73	-29.30
CC([NH2+]CC1=CC=C(S(N)(=O)=O)O1)C1(C(=O)[O-])CCOCC1	REAL300018418792	0	42	0.0	-55.91	331.65	0.04	-55.87
CC([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418793	0	51	0.0	-40.30	373.06	9.90	-30.40
CC([NH2+]C1CCC2(CCOCC2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418794	0	54	0.0	-38.39	353.06	6.29	-32.10
COC1=CN=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1C	REAL300018418795	0	46	0.0	-44.35	333.54	5.03	-39.32
CC([NH2+]CC1=CC=CC(Cl)=C1N)C1(C(=O)[O-])CCOCC1	REAL300018418796	0	42	0.0	-40.74	319.23	5.51	-35.23
CC([NH2+]CCC1=CC=C(F)C=C1Cl)C1(C(=O)[O-])CCOCC1	REAL300018418797	0	43	0.0	-42.06	334.83	8.11	-33.95
CC([NH2+]CC1=CC2=CN=CC=C2O1)C1(C(=O)[O-])CCOCC1	REAL300018418798	0	42	0.0	-46.73	316.96	5.59	-41.14
CC([NH2+]CC1=CC=C(C(F)(F)F)S1)C1(C(=O)[O-])CCOCC1	REAL300018418799	0	40	0.0	-45.96	325.16	7.22	-38.74
CC1=C2C=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)NC2=CC=C1	REAL300018418800	0	47	0.0	-43.12	347.00	7.39	-35.73
CC([NH2+]CC1=CSC(C(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418801	0	40	0.0	-41.06	324.97	6.94	-34.12
CCCOC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300018418802	0	53	0.0	-40.91	381.96	8.57	-32.34
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OC1CC1	REAL300018418803	0	52	0.0	-46.66	383.38	7.71	-38.95
CC([NH2+]C1CCC2(CCCC2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418804	0	53	0.0	-36.17	350.71	8.29	-27.88
CC([NH2+]CC1=CC=C(C(F)F)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418805	0	42	0.0	-44.05	322.38	5.92	-38.13
CC([NH2+]C1CCC2=CC=CC=C2CC1)C1(C(=O)[O-])CCOCC1	REAL300018418806	0	50	0.0	-38.26	344.84	8.80	-29.46
CC([NH2+]CC1=NC=C(Br)S1)C1(C(=O)[O-])CCOCC1	REAL300018418807	0	36	0.0	-37.54	300.84	4.67	-32.87
CC([NH2+]C1CCCC2=CC=CC=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418808	0	50	0.0	-36.82	344.67	8.84	-27.98
CC([NH2+]CC1=CN(C)N=C1C(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418809	0	43	0.0	-36.42	326.28	5.49	-30.93
CC([NH2+]C(C)C1(C(=O)[O-])CCOCC1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018418810	0	52	0.0	-32.08	371.55	8.88	-23.20
CCC1(CC)CCC([NH2+]C(C)C2(C(=O)[O-])CCOCC2)CC1	REAL300018418811	0	55	0.0	-34.99	355.70	8.12	-26.87
CC([NH2+]CC1=CC=CC2=C1CCOC2)C1(C(=O)[O-])CCOCC1	REAL300018418812	0	48	0.0	-39.91	341.16	6.76	-33.15
CC([NH2+]CC1CC1C1=CC=C(F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418813	0	47	0.0	-42.55	349.87	9.10	-33.45
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418814	0	49	0.0	-39.62	349.16	8.24	-31.38
CC([NH2+]CC1=CC=CC(S(N)(=O)=O)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418815	0	45	0.0	-48.91	348.60	1.75	-47.16
CC1=CC=C2C=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)NC2=C1	REAL300018418816	0	47	0.0	-44.14	347.55	7.51	-36.63
CC([NH2+]CC1=NC=C(C(F)(F)F)S1)C1(C(=O)[O-])CCOCC1	REAL300018418817	0	39	0.0	-39.45	319.70	5.11	-34.34
CC([NH2+]CC1=CC=CC(F)=C1OC(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418818	0	44	0.0	-40.55	338.62	6.62	-33.93
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418819	0	48	0.0	-43.61	349.56	8.36	-35.25
CC([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418820	0	56	0.0	-40.62	375.28	9.78	-30.84
CC([NH2+]CC1=CC2=CC=CN=C2O1)C1(C(=O)[O-])CCOCC1	REAL300018418821	0	42	0.0	-51.76	316.94	4.39	-47.37
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=C2)=C1	REAL300018418822	0	56	0.0	-42.86	411.31	11.66	-31.20
CC([NH2+]C1CCCC1C1=CC=C(Cl)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418823	0	50	0.0	-42.92	364.66	9.42	-33.50
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1N1C=NC=N1	REAL300018418824	0	49	0.0	-45.68	361.88	10.28	-35.40
CC([NH2+]C1CCCC(C(C)(C)C)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418825	0	58	0.0	-35.26	373.52	8.71	-26.55
CC([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1(C(=O)[O-])CCOCC1	REAL300018418826	0	43	0.0	-44.84	328.65	7.39	-37.45
CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418827	0	47	0.0	-45.82	358.66	7.46	-38.36
CC([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1(C(=O)[O-])CCOCC1	REAL300018418828	0	47	0.0	-46.46	358.21	5.21	-41.25
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(Br)=C1	REAL300018418829	0	44	0.0	-36.47	340.05	6.76	-29.71
COCC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418830	0	47	0.0	-40.11	349.42	6.53	-33.58
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418831	0	50	0.0	-46.09	390.26	9.17	-36.92
CC([NH2+]CC1=CSC(CN(C)C)=N1)C1(C(=O)[O-])CCOCC1	REAL300018418832	0	47	0.0	-42.72	355.56	3.29	-39.43
CC([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418833	0	51	0.0	-45.48	394.90	11.00	-34.48
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C(OC(F)F)C=C1C	REAL300018418834	0	50	0.0	-39.99	370.59	7.76	-32.23
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418835	0	57	0.0	-38.80	389.84	7.47	-31.33
COC1=CC(C)=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OC	REAL300018418836	0	51	0.0	-45.24	368.38	6.66	-38.58
CC([NH2+]CC1=CC=CC=C1C1CC1)C1(C(=O)[O-])CCOCC1	REAL300018418837	0	47	0.0	-36.39	337.38	8.80	-27.59
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-])C1(C(=O)[O-])CCOCC1	REAL300018418838	0	42	0.0	-50.64	353.28	8.81	-41.83
CC1=C(Br)C=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)S1	REAL300018418839	0	40	0.0	-40.56	325.84	7.36	-33.20
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1COC1=CC=CC=C1	REAL300018418840	0	58	0.0	-43.81	432.29	9.53	-34.28
CC([NH2+]CCC1=CC=C(F)C=C1F)C1(C(=O)[O-])CCOCC1	REAL300018418841	0	43	0.0	-42.94	327.78	7.79	-35.15
CC1=CC(CC[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC(C)=C1	REAL300018418842	0	49	0.0	-38.79	358.62	9.01	-29.78
CC([NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418843	0	47	0.0	-46.65	367.15	7.25	-39.40
CC([NH2+]C1CCCCC1C1=CC=CC=C1Cl)C1(C(=O)[O-])CCOCC1	REAL300018418844	0	53	0.0	-33.98	372.06	9.72	-24.26
COC1=CC=C(CC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1OC	REAL300018418845	0	57	0.0	-39.58	393.94	8.03	-31.55
COC1=CC=C(N2C=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=N2)C=C1	REAL300018418846	0	51	0.0	-43.89	382.67	7.30	-36.59
CC(CCC1=CSC=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418847	0	46	0.0	-37.40	340.96	7.93	-29.47
COCCC1=CC=C(OCC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418848	0	57	0.0	-39.05	415.73	7.63	-31.42
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418849	0	49	0.0	-36.21	366.57	9.42	-26.79
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418850	0	50	0.0	-44.81	384.69	9.29	-35.52
CC([NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418851	0	55	0.0	-41.26	416.11	10.33	-30.93
CC([NH2+]CC1=C(F)C=NC=C1Br)C1(C(=O)[O-])CCOCC1	REAL300018418852	0	39	0.0	-37.41	312.97	5.65	-31.76
CC([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418853	0	53	0.0	-38.50	380.44	10.46	-28.04
CC([NH2+]C1CCCC1C1=CC=C(C(F)(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418854	0	53	0.0	-41.27	378.76	10.50	-30.77
CC([NH2+]CC1=CNN=C1C1=CSC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418855	0	44	0.0	-48.41	341.26	5.72	-42.69
CC([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1(C(=O)[O-])CCOCC1	REAL300018418856	0	46	0.0	-49.21	350.48	5.14	-44.07
CC([NH2+]CC1=CN=C2C(=C1)C=NN2C)C1(C(=O)[O-])CCOCC1	REAL300018418857	0	45	0.0	-47.35	338.66	5.94	-41.41
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418858	0	49	0.0	-45.85	354.85	8.74	-37.11
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418859	0	50	0.0	-34.51	382.53	9.52	-24.99
CSC1=CC(Br)=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418860	0	44	0.0	-36.79	351.31	8.46	-28.33
CC([NH2+]CC(C)(C)CN(C)CC1=CC=CC=C1)C1(C(=O)[O-])CCOCC1	REAL300018418861	1	60	0.0	-39.38	415.70	9.13	-30.25
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418862	0	52	0.0	-38.02	384.01	9.80	-28.22
COCC(CC1CCOCC1)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418863	0	54	0.0	-36.77	372.47	5.24	-31.53
CC([NH2+]C1CCCC1C1=CC=CC=C1Cl)C1(C(=O)[O-])CCOCC1	REAL300018418864	0	50	0.0	-33.75	361.56	9.60	-24.15
CC([NH2+]CC1=CN=C(N2CCN(C)CC2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418865	0	55	0.0	-48.12	397.66	5.18	-42.94
CC([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418866	0	51	0.0	-39.57	383.38	10.35	-29.22
CC([NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1)C1(C(=O)[O-])CCOCC1	REAL300018418867	0	53	0.0	-41.76	392.49	8.35	-33.41
CC([NH2+]CC1=NC2=CC(C(F)(F)F)=CC=C2N1C)C1(C(=O)[O-])CCOCC1	REAL300018418868	0	49	0.0	-51.15	380.19	8.16	-42.99
CC([NH2+]C1CCCC1C1=CC=CC(C(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418869	0	53	0.0	-35.69	378.50	10.53	-25.16
CC([NH2+]CC1=NC2=C(CC(C)CC2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418870	0	49	0.0	-35.80	363.67	7.15	-28.65
CC([NH2+]CC1=CC=CC=C1N1CCCCC1)C1(C(=O)[O-])CCOCC1	REAL300018418871	0	55	0.0	-32.96	388.16	8.86	-24.10
CC([NH2+]C1CCC2COCCC2C1)C1(C(=O)[O-])CCOCC1	REAL300018418872	0	51	0.0	-38.38	333.84	6.13	-32.25
CC([NH2+]C1CC2(C1)COC(C)(C)C2)C1(C(=O)[O-])CCOCC1	REAL300018418873	0	51	0.0	-40.21	355.15	6.33	-33.88
CC([NH2+]C1CCOC2=CC=CC=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418874	0	48	0.0	-36.87	335.85	6.95	-29.92
CC([NH2+]C1CCCC2=C(C=CS2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418875	0	47	0.0	-36.78	338.23	8.12	-28.66
CC([NH2+]CC1=C2C(=CC=C1)N=CN2C)C1(C(=O)[O-])CCOCC1	REAL300018418876	0	46	0.0	-46.91	332.70	8.16	-38.75
COC1=CC=C(C)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418877	0	47	0.0	-41.10	338.62	6.83	-34.27
CC([NH2+]CC1=NOC(C2CCC2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418878	0	46	0.0	-44.62	339.44	7.16	-37.46
CC([NH2+]CC1=NOC(C2(C)CC2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418879	0	46	0.0	-44.59	341.84	7.06	-37.53
CC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1C	REAL300018418880	0	49	0.0	-38.73	343.85	8.66	-30.07
CC([NH2+]CC1=CC=CC=C1C(C)(C)C)C1(C(=O)[O-])CCOCC1	REAL300018418881	0	52	0.0	-36.09	344.59	9.16	-26.93
CC([NH2+]CC1=CN=C2CCCCCN12)C1(C(=O)[O-])CCOCC1	REAL300018418882	0	50	0.0	-46.35	350.31	7.30	-39.05
COC1=CC=C2SC(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=CC2=C1	REAL300018418883	0	47	0.0	-44.12	361.22	7.73	-36.39
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NO1)C1(C(=O)[O-])CCOCC1	REAL300018418884	0	46	0.0	-51.23	349.26	8.06	-43.17
CCN1CCC2=CC(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=CC=C21	REAL300018418885	0	52	0.0	-39.81	373.65	7.43	-32.38
CC([NH2+]C1CCC2(COC(C)(C)C2)CC1)C1(C(=O)[O-])CCOCC1	REAL300018418886	0	57	0.0	-37.77	384.02	7.33	-30.44
CSC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1Cl	REAL300018418887	0	44	0.0	-45.02	349.58	8.27	-36.75
CC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1C1CC1	REAL300018418888	0	50	0.0	-38.51	360.77	9.43	-29.08
COC1=CC=CC2=C1CCCC([NH2+]C(C)C1(C(=O)[O-])CCOCC1)C2	REAL300018418889	0	54	0.0	-43.47	365.63	7.89	-35.58
CCOC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=N1	REAL300018418890	0	46	0.0	-41.70	343.29	4.45	-37.25
CC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1C1CC1	REAL300018418891	0	50	0.0	-38.53	360.79	9.43	-29.10
CC1=NN(C2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C(C)=C2)C=C1	REAL300018418892	0	53	0.0	-49.31	389.39	9.29	-40.02
CC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418893	0	46	0.0	-44.98	365.48	8.78	-36.20
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418894	0	50	0.0	-44.85	384.66	9.24	-35.61
CC1=NN(C2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=C2)C=C1Cl	REAL300018418895	0	50	0.0	-48.64	391.20	9.19	-39.45
CC([NH2+]CC1=CN=C(C2CCOCC2)O1)C1(C(=O)[O-])CCOCC1	REAL300018418896	0	50	0.0	-44.02	366.63	3.25	-40.77
CC([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418897	0	51	0.0	-41.16	367.74	7.91	-33.25
CC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OC(F)F	REAL300018418898	0	47	0.0	-38.15	353.69	7.13	-31.02
CC(C)C1=CC=C(O)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418899	0	50	0.0	-38.74	362.18	6.23	-32.51
CC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)NN=C1C(F)(F)F	REAL300018418900	0	43	0.0	-49.65	332.03	4.77	-44.88
CC([NH2+]CC1=NC(C2CC2)=CS1)C1(C(=O)[O-])CCOCC1	REAL300018418901	0	43	0.0	-36.26	330.19	6.03	-30.23
CC([NH2+]CC1=CN(CC2CC2)N=N1)C1(C(=O)[O-])CCOCC1	REAL300018418902	0	46	0.0	-50.33	343.90	5.70	-44.63
CC([NH2+]CC1=CC=C2CCOC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418903	0	45	0.0	-44.55	330.14	6.74	-37.81
CC([NH2+]CC1=NC2=C(CCCC2)N1)C1(C(=O)[O-])CCOCC1	REAL300018418904	0	47	0.0	-45.62	337.30	5.87	-39.75
CC([NH2+]CC1=CC=C2COCCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418905	0	48	0.0	-40.70	348.04	6.91	-33.79
CC([NH2+]CC1=CC=CC=C1C1CCC1)C1(C(=O)[O-])CCOCC1	REAL300018418906	0	50	0.0	-38.03	353.71	9.37	-28.66
CC([NH2+]CC1=CN(C)N=C1C1CCOCC1)C1(C(=O)[O-])CCOCC1	REAL300018418907	0	54	0.0	-44.22	391.96	5.95	-38.27
CC([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418908	0	48	0.0	-45.45	358.64	6.65	-38.80
CC([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418909	0	54	0.0	-41.43	393.59	8.69	-32.74
CSC1=CC=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418910	0	44	0.0	-38.12	334.56	7.82	-30.30
CC([NH2+]CC1=CC=NN1C(C)(C)C)C1(C(=O)[O-])CCOCC1	REAL300018418911	0	49	0.0	-40.59	340.90	6.38	-34.21
CC([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418912	0	47	0.0	-39.53	348.04	8.94	-30.59
CC(C)C1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)N(C)N=C1	REAL300018418913	0	49	0.0	-44.83	355.58	6.39	-38.44
CC([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1(C(=O)[O-])CCOCC1	REAL300018418914	0	47	0.0	-38.31	355.45	9.08	-29.23
CCC([NH2+]C(C)C1(C(=O)[O-])CCOCC1)C(C)CC1=CC=CC=C1	REAL300018418915	0	55	0.0	-38.98	377.30	9.79	-29.19
CC([NH2+]CC1=CC=C(CC2CC2)S1)C1(C(=O)[O-])CCOCC1	REAL300018418916	0	47	0.0	-38.65	359.55	9.04	-29.61
CC([NH2+]CC1=CC=C(OC2CC2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418917	0	48	0.0	-43.01	355.15	7.90	-35.11
CC([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1(C(=O)[O-])CCOCC1	REAL300018418918	0	44	0.0	-39.53	345.84	6.73	-32.80
CC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418919	0	46	0.0	-44.44	365.55	8.68	-35.76
CC1=NC=CN1C1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300018418920	0	53	0.0	-47.73	389.49	9.93	-37.80
CC1=C(C)N(C2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=C2)C=N1	REAL300018418921	0	53	0.0	-49.15	392.03	10.51	-38.64
CC([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418922	0	54	0.0	-38.86	388.77	10.83	-28.03
CC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)OC2=CC=C(F)C=C12	REAL300018418924	0	46	0.0	-45.89	348.98	8.13	-37.76
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418925	0	46	0.0	-39.90	345.82	8.42	-31.48
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)C1(C(=O)[O-])CCOCC1	REAL300018418926	0	50	0.0	-47.81	374.36	8.07	-39.74
CC([NH2+]CC1=CN=CC(C(C)(C)C)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418927	0	51	0.0	-40.07	365.75	7.30	-32.77
CC([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C1(C(=O)[O-])CCOCC1	REAL300018418928	0	43	0.0	-41.46	352.12	9.01	-32.45
CC([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418929	0	43	0.0	-46.85	336.57	5.98	-40.87
CC([NH2+]CC1=NC2=C(CCCC2)N1C)C1(C(=O)[O-])CCOCC1	REAL300018418930	0	50	0.0	-46.35	357.95	7.49	-38.86
CC([NH2+]CC1=CN(C)N=C1C(F)(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418931	0	43	0.0	-51.03	331.06	5.68	-45.35
CC([NH2+]CC1=CC2=CC=CC=C2C=N1)C1(C(=O)[O-])CCOCC1	REAL300018418932	0	45	0.0	-42.40	335.50	7.23	-35.17
COC1=NC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1C	REAL300018418933	0	46	0.0	-44.05	341.65	4.19	-39.86
CC([NH2+]CC1=CC=CC(C(F)F)=C1F)C1(C(=O)[O-])CCOCC1	REAL300018418934	0	43	0.0	-40.13	332.89	7.85	-32.28
CC([NH2+]CC1=CC=CC2=C1COCC2)C1(C(=O)[O-])CCOCC1	REAL300018418935	0	48	0.0	-38.64	341.13	6.80	-31.84
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418936	0	47	0.0	-37.07	361.01	7.73	-29.34
CC([NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418937	0	47	0.0	-47.87	356.84	6.80	-41.07
CC([NH2+]CC1=CC2=C(CCCC2)O1)C1(C(=O)[O-])CCOCC1	REAL300018418938	0	47	0.0	-40.53	338.63	7.62	-32.91
CCC(C)N1N=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418939	0	49	0.0	-43.66	355.61	6.68	-36.98
CC([NH2+]CC1=CN(C2CCCCC2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418940	0	53	0.0	-42.98	378.99	7.85	-35.13
COC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=CC=C1C(C)(C)C	REAL300018418941	0	56	0.0	-37.26	387.56	8.62	-28.64
CC([NH2+]CC1=NC(Br)=CN1C)C1(C(=O)[O-])CCOCC1	REAL300018418942	0	40	0.0	-39.08	315.71	5.64	-33.44
COC1=CC(C)=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=N1	REAL300018418943	0	46	0.0	-44.91	336.60	4.23	-40.68
CC([NH2+]CC1=NC2=CC=CC=C2S1)C1(C(=O)[O-])CCOCC1	REAL300018418944	0	42	0.0	-38.39	326.02	6.24	-32.15
COC1=CC=CC(C2CC([NH2+]C(C)C3(C(=O)[O-])CCOCC3)C2)=C1	REAL300018418945	0	51	0.0	-43.63	362.50	7.82	-35.81
CC1=NOC(C2CC([NH2+]C(C)C3(C(=O)[O-])CCOCC3)C2)=N1	REAL300018418946	0	45	0.0	-40.28	328.68	4.17	-36.11
CC([NH2+]C1CC(C2CCOCC2)C1)C1(C(=O)[O-])CCOCC1	REAL300018418947	0	51	0.0	-39.45	349.37	6.36	-33.09
CC1=CC(C)=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1Br	REAL300018418948	0	49	0.0	-37.53	363.78	8.94	-28.59
CC([NH2+]CC=CC1=CC=C2OCOC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418949	0	47	0.0	-46.47	351.39	6.85	-39.62
CC([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418950	0	53	0.0	-39.60	385.41	10.44	-29.16
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418951	0	50	0.0	-46.15	390.47	7.68	-38.47
COC1=CC=C(CC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300018418952	0	53	0.0	-43.26	374.50	7.94	-35.32
CCC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=NN1CC	REAL300018418953	0	49	0.0	-42.99	347.55	6.63	-36.36
CC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C(F)(F)F)=CO1	REAL300018418954	0	43	0.0	-44.02	333.63	6.71	-37.31
CC([NH2+]CC1=CC=CC(C(C)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418955	0	46	0.0	-41.81	347.58	8.33	-33.48
CC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418956	0	46	0.0	-42.35	357.28	7.58	-34.77
CC([NH2+]CC1=CNN=C1C1=CN(C)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418957	0	47	0.0	-42.78	354.20	4.57	-38.21
COC1=CC=C(CCC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C)=C1	REAL300018418958	0	56	0.0	-40.77	387.85	8.39	-32.38
CC([NH2+]C1CC2CCCCCC2C1)C1(C(=O)[O-])CCOCC1	REAL300018418959	0	53	0.0	-37.53	342.23	8.34	-29.19
CC([NH2+]C1CCC(C)C2=CC=CC=C2C1)C1(C(=O)[O-])CCOCC1	REAL300018418960	0	53	0.0	-42.33	355.06	8.98	-33.35
CC([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418961	0	47	0.0	-42.06	359.86	9.33	-32.73
CCOC1=CC(CCC(C)[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1O	REAL300018418962	0	57	0.0	-42.35	413.10	7.06	-35.29
CC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1(C(=O)[O-])CCOCC1	REAL300018418963	0	46	0.0	-42.41	351.97	9.56	-32.85
COC1=C(C)C(C)=C(OC)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1C	REAL300018418964	0	57	0.0	-38.03	401.95	7.47	-30.56
CC([NH2+]CC1=CC=CC=C1OC1CCCCC1)C1(C(=O)[O-])CCOCC1	REAL300018418965	0	57	0.0	-34.23	405.43	9.84	-24.39
CC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418966	0	51	0.0	-44.91	400.88	10.30	-34.61
C=CCC1=CC=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418967	0	47	0.0	-37.71	341.37	8.79	-28.92
CC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C1(C(=O)[O-])CCOCC1	REAL300018418968	0	60	0.0	-40.67	424.48	10.42	-30.25
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)C=C2)=C1	REAL300018418969	0	55	0.0	-48.18	413.68	9.07	-39.11
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1	REAL300018418970	0	55	0.0	-46.75	413.93	9.73	-37.02
COCC1=CC=CC=C1C[NH2+]C(C)C1(C(=O)[O-])CCOCC1	REAL300018418971	0	47	0.0	-40.92	340.73	6.76	-34.16
CC([NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418972	0	53	0.0	-44.49	403.30	11.56	-32.93
CC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1(C(=O)[O-])CCOCC1	REAL300018418973	0	44	0.0	-40.95	350.75	8.26	-32.69
CC([NH2+]CC1=CC=C2CCOCC2=C1)C1(C(=O)[O-])CCOCC1	REAL300018418974	0	48	0.0	-40.33	347.99	6.88	-33.45
CC1=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)SC2=CC(F)=CC=C12	REAL300018418975	0	46	0.0	-43.83	354.71	8.94	-34.89
CC([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1(C(=O)[O-])CCOCC1	REAL300018418976	0	46	0.0	-49.82	348.91	5.08	-44.74
COC1=CC=C(F)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1OC	REAL300018418977	0	48	0.0	-38.31	358.66	6.09	-32.22
CCN1C=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C(C2CC2)=N1	REAL300018418978	0	50	0.0	-40.98	370.76	7.64	-33.34
COC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1OCCO	REAL300018418979	0	52	0.0	-46.61	386.32	3.84	-42.77
CC([NH2+]CC1=CN(C)N=C1C1=CC=NN1C)C1(C(=O)[O-])CCOCC1	REAL300018418980	0	50	0.0	-43.58	379.75	5.79	-37.79
CC([NH2+]CC1=CON=C1C(C)(C)C)C1(C(=O)[O-])CCOCC1	REAL300018418981	0	48	0.0	-43.12	342.54	6.70	-36.42
CC([NH2+]CC1=CC2=CN=CC=C2C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418982	0	45	0.0	-44.45	335.35	7.28	-37.17
COC1=CC(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=CC=C1OCC1CCCO1	REAL300018418983	0	59	0.0	-45.58	432.03	7.44	-38.14
CC1=CC2=CC=CC(C[NH2+]C(C)C3(C(=O)[O-])CCOCC3)=C2O1	REAL300018418984	0	46	0.0	-38.28	343.53	8.07	-30.21
CC([NH2+]CC1=CC=CC(F)=C1C(F)(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418985	0	43	0.0	-40.25	328.27	7.97	-32.28
CC([NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418986	0	47	0.0	-37.86	369.26	7.57	-30.29
CC([NH2+]CC1=CON=C1C1CCC1)C1(C(=O)[O-])CCOCC1	REAL300018418987	0	46	0.0	-45.61	338.97	6.97	-38.64
CC([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1(C(=O)[O-])CCOCC1	REAL300018418988	0	43	0.0	-47.71	337.54	7.97	-39.74
CC(C)OC1=CC=C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)C=C1F	REAL300018418989	0	50	0.0	-46.76	368.90	7.80	-38.96
CC1=NN(C2CCCC2)C(C[NH2+]C(C)C2(C(=O)[O-])CCOCC2)=C1	REAL300018418990	0	53	0.0	-44.17	382.56	7.95	-36.22
CC([NH2+]CC1=CC=NN1CC(F)F)C1(C(=O)[O-])CCOCC1	REAL300018418991	0	43	0.0	-50.24	325.20	5.72	-44.52
CC([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1(C(=O)[O-])CCOCC1	REAL300018418993	0	47	0.0	-44.36	359.59	8.08	-36.28
CC([NH2+]CC1=NN(C2CCC2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418994	0	47	0.0	-42.95	340.40	6.49	-36.46
CC([NH2+]CC1=NN(CC(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418995	0	43	0.0	-47.19	330.53	5.82	-41.37
CC([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418996	0	44	0.0	-47.59	340.21	6.36	-41.23
CC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C1(C(=O)[O-])CCOCC1	REAL300018418997	0	45	0.0	-37.11	355.39	8.04	-29.07
CC([NH2+]CC1=NN(C2CCCC2)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418998	0	50	0.0	-42.20	358.54	7.19	-35.01
CC([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1(C(=O)[O-])CCOCC1	REAL300018418999	0	43	0.0	-42.45	328.06	7.31	-35.14
CC([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1(C(=O)[O-])CCOCC1	REAL300018419000	0	43	0.0	-40.27	338.36	7.76	-32.51
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])S1	REAL300018422150	0	34	0.0	-75.60	325.88	7.99	-67.61
CC1(C)CC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC(C)(C)C1	REAL300018422151	0	47	0.0	-73.65	359.17	8.18	-65.47
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3=CC(Br)=CC=C3C2)S1	REAL300018422152	0	39	0.0	-80.94	347.97	9.05	-71.89
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422153	0	45	0.0	-76.50	378.25	9.08	-67.42
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(Cl)=C1OC	REAL300018422154	0	40	0.0	-77.15	363.98	6.68	-70.47
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)S1	REAL300018422155	0	39	0.0	-77.92	356.75	9.51	-68.41
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=CC=C3S2)S1	REAL300018422156	0	35	0.0	-75.95	326.77	8.44	-67.51
CC(C)OC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422157	0	42	0.0	-76.83	358.67	7.75	-69.08
CCCCCCCOC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422158	0	54	0.0	-76.71	448.23	11.04	-65.67
CC(C[NH2+]CCC1=NC=C(C(=O)[O-])S1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018422159	0	53	0.0	-75.04	422.36	11.25	-63.79
O=C([O-])C1=CN=C(CC[NH2+]CC2=C3NC=CC3=CC=C2)S1	REAL300018422160	0	36	0.0	-76.48	320.75	6.90	-69.58
O=C([O-])C1=CN=C(CC[NH2+]CC2=CSC([N+](=O)[O-])=C2)S1	REAL300018422161	0	31	0.0	-89.80	309.43	6.70	-83.10
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2N2CCOCC2)S1	REAL300018422162	0	45	0.0	-73.44	375.16	6.46	-66.98
CC(C)CC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422163	0	44	0.0	-73.83	370.58	9.58	-64.25
CC1=CC=C(C2=CC=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=C2)C=C1	REAL300018422164	0	45	0.0	-77.49	385.00	10.98	-66.51
COC1=CC=C(Br)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422165	0	36	0.0	-69.87	334.28	6.78	-63.09
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1[N+](=O)[O-]	REAL300018422166	0	38	0.0	-91.92	344.91	7.63	-84.29
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(Cl)=CC(Cl)=C2)S1	REAL300018422167	0	32	0.0	-79.80	322.85	7.90	-71.90
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422168	0	45	0.0	-77.05	385.44	10.98	-66.07
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(OC(F)F)=C2)S1	REAL300018422169	0	36	0.0	-79.55	328.64	6.48	-73.07
O=C([O-])C1=CN=C(CC[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018422170	0	42	0.0	-80.35	384.53	7.76	-72.59
CCOC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OCC	REAL300018422171	0	46	0.0	-80.91	391.84	7.93	-72.98
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)S1	REAL300018422172	0	35	0.0	-84.95	341.28	8.31	-76.64
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(F)C=C2Br)S1	REAL300018422173	0	32	0.0	-74.92	312.08	7.52	-67.40
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)S1	REAL300018422174	0	35	0.0	-86.36	328.99	6.00	-80.36
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=NC3=CC=CC=C23)S1	REAL300018422175	0	37	0.0	-82.41	325.83	7.16	-75.25
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)S1	REAL300018422176	0	36	0.0	-79.55	335.38	6.69	-72.86
CS(=O)(=O)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422177	0	38	0.0	-86.54	350.08	4.41	-82.13
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422178	0	46	0.0	-77.67	397.60	9.96	-67.71
CC(CCOCC1=CC=CC=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422179	0	45	0.0	-74.80	380.37	8.30	-66.50
O=C([O-])C1=CN=C(CC[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)S1	REAL300018422180	0	39	0.0	-79.35	349.82	9.19	-70.16
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)S1	REAL300018422181	0	42	0.0	-78.48	380.32	10.83	-67.65
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)S1	REAL300018422182	0	42	0.0	-79.16	380.33	10.82	-68.34
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)S1	REAL300018422183	0	42	0.0	-78.74	388.67	9.80	-68.94
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C2=CC=CC=C12	REAL300018422184	0	42	0.0	-78.19	358.71	8.38	-69.81
CN1C2=CC=CC=C2N=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422185	0	38	0.0	-80.31	335.81	7.24	-73.07
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3OCCC3=C2)S1	REAL300018422186	0	37	0.0	-79.02	325.27	6.74	-72.28
O=C([O-])C1=CN=C(CC[NH2+]CC2=CSC(Br)=C2)S1	REAL300018422187	0	29	0.0	-77.62	301.04	6.58	-71.04
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OCC1=CC=CN=C1	REAL300018422188	0	49	0.0	-85.35	424.74	8.28	-77.07
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)S1	REAL300018422189	0	45	0.0	-74.65	394.11	8.48	-66.17
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C(C2=CC=CC=C2)C=C1OC	REAL300018422190	0	50	0.0	-74.31	420.60	9.50	-64.81
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)S1	REAL300018422191	0	45	0.0	-74.12	394.18	8.46	-65.66
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(N3CCCC3)N=C2)S1	REAL300018422192	0	43	0.0	-78.82	363.31	6.80	-72.02
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422193	0	40	0.0	-87.52	362.97	3.61	-83.91
O=C([O-])C1=CN=C(CC[NH2+]CC2=C3C=CNC3=CC=C2)S1	REAL300018422194	0	36	0.0	-73.09	320.56	6.91	-66.18
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3C=CNC3=C2)S1	REAL300018422195	0	36	0.0	-77.39	320.75	6.92	-70.47
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)S1	REAL300018422196	0	35	0.0	-78.74	328.94	5.99	-72.75
CC1(C)CCC2=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=CC=C2O1	REAL300018422197	0	46	0.0	-77.12	380.02	8.71	-68.41
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422198	0	47	0.0	-72.69	368.67	9.84	-62.85
CN(C)C1=CC=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422199	0	40	0.0	-70.02	342.48	6.91	-63.11
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)S1	REAL300018422200	0	41	0.0	-79.48	358.61	8.54	-70.94
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)S1	REAL300018422201	0	41	0.0	-81.30	358.80	8.55	-72.75
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CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422271	0	44	0.0	-80.25	385.08	9.99	-70.26
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CCCC(CC1=CC=CC=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422308	0	44	0.0	-70.31	358.74	9.54	-60.77
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CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422312	0	44	0.0	-80.61	385.08	10.02	-70.59
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COCCC(CC1=CC=CC(F)=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422315	0	45	0.0	-76.44	382.16	7.98	-68.46
CC(C)CCC1CCCC1[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422316	0	47	0.0	-72.62	372.41	9.12	-63.50
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C2OC(C)CC2=C1	REAL300018422317	0	44	0.0	-72.80	375.82	6.77	-66.03
CN1N=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C2=CC=CC=C21	REAL300018422318	0	38	0.0	-76.30	339.33	6.81	-69.49
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CN(C)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1F	REAL300018422320	0	40	0.0	-80.78	350.29	6.43	-74.35
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CC1CCCCC1[NH+]1CCC(NCCC2=NC=C(C(=O)[O-])S2)CC1	REAL300018422322	1	53	0.0	-66.22	392.25	8.44	-57.78
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422323	0	47	0.0	-73.57	397.39	10.63	-62.94
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CC1(C)CC2=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=CC=C2O1	REAL300018422325	0	43	0.0	-78.95	366.80	8.14	-70.81
O=C([O-])C1=CN=C(CC[NH2+]CC2=COC(C3=CC=CC=C3)=N2)S1	REAL300018422326	0	38	0.0	-76.57	346.05	5.33	-71.24
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CC1=CC=CC(C2=NNC=C2C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422328	0	42	0.0	-76.10	366.81	7.42	-68.68
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC(C(F)(F)F)=C1	REAL300018422329	0	39	0.0	-80.40	357.61	7.19	-73.21
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CC(CSC(C)(C)C)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422331	0	41	0.0	-67.66	345.25	7.68	-59.98
CN(C)C1=NC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)N1C	REAL300018422332	0	40	0.0	-79.78	341.86	6.31	-73.47
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)S1	REAL300018422333	0	39	0.0	-79.99	348.31	7.20	-72.79
CC(C)COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422334	0	45	0.0	-76.57	382.34	8.61	-67.96
COCCOC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422335	0	43	0.0	-79.15	374.37	6.38	-72.77
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422336	0	41	0.0	-76.85	373.10	9.74	-67.11
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)S1	REAL300018422337	0	36	0.0	-81.61	344.67	7.02	-74.59
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CC1=CC(N(C)C)=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422339	0	43	0.0	-72.89	355.42	7.90	-64.99
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3CCCC3=C2)S1	REAL300018422340	0	39	0.0	-74.59	334.90	8.81	-65.78
CC1=CC=CC=C1CC(C)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422341	0	41	0.0	-71.21	340.28	8.64	-62.57
CC1=CC=CC(CC(C)[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422342	0	41	0.0	-71.51	345.63	8.90	-62.61
COC1=CC2=C(C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1)OCO2	REAL300018422343	0	39	0.0	-76.35	343.54	4.92	-71.43
COC1=CC(Cl)=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OC	REAL300018422344	0	40	0.0	-75.32	359.96	6.57	-68.75
CC(C)COC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422345	0	45	0.0	-75.19	382.34	8.62	-66.57
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)S1	REAL300018422346	0	52	0.0	-78.56	429.42	5.76	-72.80
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(F)C3=CC=CC=C23)S1	REAL300018422347	0	38	0.0	-81.27	335.91	9.07	-72.20
C=CCOC1=C(Cl)C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OC	REAL300018422348	0	44	0.0	-84.20	402.85	8.26	-75.94
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1CN1C=CC=N1	REAL300018422349	0	46	0.0	-81.56	401.48	7.88	-73.68
CC(C)COC1=CC=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422350	0	45	0.0	-69.88	380.92	8.68	-61.20
CC1(C)CC2=CC=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=C2O1	REAL300018422351	0	43	0.0	-70.82	366.69	8.11	-62.71
O=C([O-])C1=CN=C(CC[NH2+]CC2=C(Cl)C=NC=C2Cl)S1	REAL300018422352	0	31	0.0	-70.89	312.84	5.94	-64.95
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC3=C(CCCC3)S2)S1	REAL300018422353	0	38	0.0	-73.25	337.91	6.63	-66.62
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=NC=C2Br)S1	REAL300018422354	0	31	0.0	-74.22	300.20	5.69	-68.53
CC(C)(C[NH2+]CCC1=NC=C(C(=O)[O-])S1)N1CCOCC1	REAL300018422355	0	44	0.0	-72.96	342.94	3.75	-69.21
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(F)=CC(Br)=C2)S1	REAL300018422356	0	32	0.0	-80.75	317.09	7.58	-73.17
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422357	0	38	0.0	-67.69	338.55	9.10	-58.59
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C2=CC=CC=C2)=N1	REAL300018422358	0	42	0.0	-76.01	368.68	8.05	-67.96
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)S1	REAL300018422359	0	39	0.0	-78.55	347.74	8.09	-70.46
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])S1	REAL300018422360	0	37	0.0	-82.68	347.91	8.47	-74.21
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=NC=C3C=C2)S1	REAL300018422361	0	37	0.0	-82.37	330.39	7.38	-74.99
CC1=C(Br)SC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422362	0	32	0.0	-76.90	320.88	7.33	-69.57
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=NNC=C32)S1	REAL300018422363	0	35	0.0	-84.68	315.51	5.59	-79.09
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=CNN=C32)S1	REAL300018422364	0	35	0.0	-71.67	315.66	5.58	-66.09
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC(Br)=CC=C3O2)S1	REAL300018422365	0	35	0.0	-79.49	338.55	8.04	-71.45
CS(=O)(=O)N1CCC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC1	REAL300018422366	0	40	0.0	-88.37	343.12	2.73	-85.64
COC1=CC(F)=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422367	0	36	0.0	-79.02	325.30	6.26	-72.76
CC(C)(C)C1=NC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300018422368	0	42	0.0	-81.38	361.01	6.85	-74.53
COC1=CC=CC=C1N1CCC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC1	REAL300018422369	0	48	0.0	-76.61	385.29	6.80	-69.81
CC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(Cl)=C1	REAL300018422370	0	35	0.0	-70.81	323.49	8.00	-62.81
COC1=CC=C(OC(F)F)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422371	0	40	0.0	-75.73	356.75	5.82	-69.91
O=C([O-])C1=CN=C(CC[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)S1	REAL300018422372	0	36	0.0	-70.46	341.36	6.94	-63.52
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)S1	REAL300018422373	0	34	0.0	-93.54	330.06	7.94	-85.60
O=C([O-])C1=CN=C(CC[NH2+]CCC2=CC=CC(Cl)=C2)S1	REAL300018422374	0	35	0.0	-80.29	327.62	8.18	-72.11
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)S1	REAL300018422375	0	52	0.0	-76.88	443.65	11.73	-65.15
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC2C2=CC=CC=C2)S1	REAL300018422376	0	42	0.0	-74.06	347.67	9.18	-64.88
CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1OC1=CC=CN=C1	REAL300018422377	0	45	0.0	-81.89	392.54	8.60	-73.29
CC(CC1=CC=C(F)C=C1Br)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422378	0	38	0.0	-66.77	341.39	9.23	-57.54
CC1=CC=C(C2=NC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)S2)C=C1	REAL300018422379	0	41	0.0	-77.54	375.81	8.60	-68.94
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)S1	REAL300018422380	0	37	0.0	-71.35	345.90	7.94	-63.41
O=C([O-])C1=CN=C(CC[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)S1	REAL300018422381	0	37	0.0	-66.22	343.13	7.83	-58.39
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(F)C3=CC=CN=C23)S1	REAL300018422382	0	37	0.0	-74.32	334.87	7.45	-66.87
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(F)=CC3=CC=CN=C32)S1	REAL300018422383	0	37	0.0	-72.40	335.60	7.50	-64.90
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)S1	REAL300018422384	0	37	0.0	-73.62	343.72	7.83	-65.79
CS(=O)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422385	0	37	0.0	-87.49	341.59	5.49	-82.00
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)S1	REAL300018422386	0	34	0.0	-84.14	329.42	8.05	-76.09
CC(C)CCN1C=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422387	0	45	0.0	-74.62	376.48	9.29	-65.33
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)S1	REAL300018422388	0	39	0.0	-77.59	364.12	8.95	-68.64
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)O1	REAL300018422389	0	42	0.0	-78.22	376.58	9.53	-68.69
CCC1=CC=C(C2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)O2)C=C1	REAL300018422390	0	45	0.0	-76.30	392.52	10.22	-66.08
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(OC(F)F)=C1	REAL300018422391	0	40	0.0	-78.52	356.75	5.83	-72.69
CCN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C2=CC=CC=C2)=N1	REAL300018422392	0	45	0.0	-75.73	390.22	8.92	-66.81
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3CCCCC3=C2)S1	REAL300018422393	0	42	0.0	-74.22	352.08	9.39	-64.83
O=C([O-])C1=CN=C(CC[NH2+]C2CCC(C3CCCCC3)CC2)S1	REAL300018422394	0	51	0.0	-71.80	379.36	10.09	-61.71
CC1=CC=C(C(C)C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422395	0	41	0.0	-76.58	346.81	8.87	-67.71
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1C(C)(C)C	REAL300018422396	0	48	0.0	-76.40	390.06	8.88	-67.52
CC(C)(C)OC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422397	0	45	0.0	-74.93	369.79	8.03	-66.90
NS(=O)(=O)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422398	0	37	0.0	-87.46	343.62	1.85	-85.61
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3=CC=CC(Cl)=C3C2)S1	REAL300018422399	0	39	0.0	-78.45	340.78	8.85	-69.60
CCOC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300018422400	0	42	0.0	-76.06	355.56	7.73	-68.33
COC1=CC(C)=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422401	0	39	0.0	-70.14	338.96	6.92	-63.22
O=C([O-])C1=CN=C(CC[NH2+]CC2CCC3=CC=CC=C3C2)S1	REAL300018422402	0	42	0.0	-78.90	348.91	9.34	-69.56
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422403	0	34	0.0	-78.31	331.02	6.00	-72.31
O=C([O-])C1=CN=C(CC[NH2+]C2CCC(C3=CC=C(F)C=C3)C2)S1	REAL300018422404	0	42	0.0	-79.50	353.94	9.25	-70.25
COCC1=CSC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422405	0	36	0.0	-74.96	334.91	5.73	-69.23
CCCC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)S1	REAL300018422406	0	38	0.0	-72.64	344.48	8.36	-64.28
CC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=CC=C1[N+](=O)[O-]	REAL300018422407	0	37	0.0	-87.32	327.00	8.02	-79.30
CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1Br	REAL300018422408	0	35	0.0	-78.61	328.89	8.08	-70.53
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1Cl	REAL300018422409	0	36	0.0	-81.92	334.92	6.75	-75.17
COC1=CC=CC(C)=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422410	0	39	0.0	-69.61	334.56	6.76	-62.85
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O=C([O-])C1=CN=C(CC[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)S1	REAL300018422412	0	39	0.0	-75.48	348.28	8.02	-67.46
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=C(C(F)(F)F)S2)S1	REAL300018422413	0	31	0.0	-83.80	315.45	5.30	-78.50
O=C([O-])C1=CN=C(CC[NH2+]CC2=NN3CCCCC3=C2)S1	REAL300018422414	0	39	0.0	-72.48	333.98	6.23	-66.25
O=C([O-])C1=CN=C(CC[NH2+]C2CC3=CC=C(Cl)C=C3C2)S1	REAL300018422415	0	36	0.0	-81.31	327.90	8.46	-72.85
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=C(C=N2)OCCO3)S1	REAL300018422416	0	37	0.0	-75.89	328.82	4.26	-71.63
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=C3C=CC(Cl)=CN23)S1	REAL300018422417	0	35	0.0	-80.69	332.95	7.84	-72.85
CC1=CC=CN2C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=CN=C12	REAL300018422418	0	38	0.0	-81.52	337.68	7.93	-73.59
CN1C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CN=C1Cl	REAL300018422419	0	32	0.0	-82.69	305.72	5.76	-76.93
CN1C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CN=C1Br	REAL300018422420	0	32	0.0	-82.60	310.01	5.79	-76.81
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)S1	REAL300018422421	0	38	0.0	-82.37	348.70	6.79	-75.58
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(C(F)(F)F)=NN2)S1	REAL300018422422	0	32	0.0	-86.40	310.45	4.24	-82.16
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=C(F)C=CC=C3N2)S1	REAL300018422423	0	36	0.0	-81.82	327.77	6.91	-74.91
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=C(F)C=C3N2)S1	REAL300018422424	0	36	0.0	-82.49	327.68	6.91	-75.58
CCOC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=N1	REAL300018422425	0	38	0.0	-75.60	338.41	4.49	-71.11
CC1=C(Cl)C=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422426	0	35	0.0	-76.44	318.24	7.96	-68.48
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=NC=C3S2)S1	REAL300018422427	0	34	0.0	-80.79	321.51	6.65	-74.14
CC1=CC=CC2=NC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)N21	REAL300018422428	0	38	0.0	-79.82	326.70	7.71	-72.11
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422429	0	44	0.0	-77.75	373.44	7.63	-70.12
CC1=CC(Cl)=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422430	0	35	0.0	-77.21	327.52	8.06	-69.15
COCC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422431	0	39	0.0	-76.89	344.45	6.63	-70.26
COCC(CC(C)(C)C)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422432	0	44	0.0	-66.33	348.31	6.41	-59.92
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)S1	REAL300018422433	0	37	0.0	-87.74	336.80	7.34	-80.40
CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC2=CC=CN=C12	REAL300018422434	0	40	0.0	-82.12	350.63	8.09	-74.03
CCCOC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1C	REAL300018422435	0	45	0.0	-76.73	382.32	8.67	-68.06
COC1=C(C)C=NC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300018422436	0	41	0.0	-74.37	351.85	5.70	-68.67
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422437	0	42	0.0	-73.70	363.21	8.54	-65.16
O=C([O-])C1=CN=C(CC[NH2+]C2CCCCC23CCCC3)S1	REAL300018422438	0	45	0.0	-69.65	338.98	8.57	-61.08
CS(=O)(=O)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)S1	REAL300018422439	0	35	0.0	-85.12	342.48	3.58	-81.54
O=C([O-])C1=CN=C(CC[NH2+]CC2=C3N=CC(Br)=CN3N=C2)S1	REAL300018422440	0	34	0.0	-74.35	333.29	6.43	-67.92
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)O2)C=C1	REAL300018422441	0	51	0.0	-76.10	425.74	11.09	-65.01
CC1CC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CCN1CC1=CC=CC=C1	REAL300018422442	1	50	0.0	-74.49	390.70	7.55	-66.94
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422443	0	52	0.0	-69.09	417.41	10.24	-58.85
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422444	0	52	0.0	-73.14	431.82	10.02	-63.12
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C(F)F)C=C2)S1	REAL300018422445	0	35	0.0	-79.95	323.55	7.83	-72.12
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)S1	REAL300018422446	0	34	0.0	-82.73	328.80	4.87	-77.86
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=C2CCC3)S1	REAL300018422447	0	39	0.0	-74.13	333.60	8.72	-65.41
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C([N+](=O)[O-])=N1	REAL300018422448	0	34	0.0	-85.23	317.56	6.27	-78.96
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC(Cl)=CS2)S1	REAL300018422449	0	28	0.0	-77.41	291.15	4.46	-72.95
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=C3C=CC(Br)=CN23)S1	REAL300018422450	0	35	0.0	-80.77	337.51	7.95	-72.82
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC=CC3=CC=CC=C32)S1	REAL300018422451	0	37	0.0	-74.51	327.12	7.18	-67.33
COC1=CC=CC(Cl)=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422452	0	36	0.0	-66.67	331.60	6.67	-60.00
CC1=NC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)N1C1=CC=CC=C1	REAL300018422453	0	42	0.0	-73.60	368.41	9.17	-64.43
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422454	0	50	0.0	-78.31	424.21	11.67	-66.64
CCCN1N=C(C)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300018422455	0	44	0.0	-77.18	373.55	7.26	-69.92
CCN(CC)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1F	REAL300018422456	0	46	0.0	-80.12	388.66	7.95	-72.17
CCOC1CC([NH2+]CCC2=NC=C(C(=O)[O-])S2)C12CCCC2	REAL300018422457	0	46	0.0	-72.82	370.67	7.97	-64.85
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C(SC)C=C1OC	REAL300018422458	0	44	0.0	-74.88	383.69	7.03	-67.85
CN(C)C1=CC=C(N2CCC([NH2+]CCC3=NC=C(C(=O)[O-])S3)CC2)C=C1	REAL300018422459	0	52	0.0	-77.28	408.34	7.60	-69.68
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422460	0	43	0.0	-74.50	365.11	9.45	-65.05
CCCC(C[NH2+]CCC1=NC=C(C(=O)[O-])S1)C1=CC=CC=C1	REAL300018422461	0	44	0.0	-73.53	366.60	9.52	-64.01
CC1CC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC(C2=CC=CC=C2)C1	REAL300018422462	0	48	0.0	-75.09	379.92	10.54	-64.55
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422463	0	42	0.0	-72.32	363.70	7.88	-64.44
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC3=CC=C(F)C=C3S2)S1	REAL300018422464	0	34	0.0	-77.59	327.46	6.42	-71.17
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(F)=CC=C2OC(F)F)S1	REAL300018422465	0	36	0.0	-77.69	333.68	6.61	-71.08
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC2=CC=CC=C21	REAL300018422466	0	42	0.0	-79.60	363.86	8.50	-71.10
CCOC1=CN=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422467	0	38	0.0	-79.24	335.67	5.30	-73.94
CCOC1=CC(F)=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422468	0	39	0.0	-78.78	347.15	7.19	-71.59
COC1=CC=C(C(C)C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422469	0	42	0.0	-79.48	354.88	7.47	-72.01
CN1N=C(C2CC2)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422470	0	39	0.0	-81.49	341.71	6.55	-74.94
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3(CCCCC3)CC2)S1	REAL300018422471	0	48	0.0	-74.30	356.84	8.76	-65.54
CC([NH2+]CCC1=NC=C(C(=O)[O-])S1)C(C)C1=CC=CC=C1	REAL300018422472	0	41	0.0	-69.11	339.94	8.49	-60.62
O=C([O-])C1=CN=C(CC[NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)S1	REAL300018422473	0	40	0.0	-82.34	342.53	7.97	-74.37
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422474	0	47	0.0	-76.33	384.90	6.97	-69.36
COC1=CC=CC2=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=CC=C12	REAL300018422475	0	42	0.0	-78.30	358.73	8.39	-69.91
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=NN2CC2CC2)S1	REAL300018422476	0	39	0.0	-77.19	338.83	6.96	-70.23
CC(CCC1=CC=CN=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422477	0	40	0.0	-79.63	341.18	7.23	-72.40
CC(C)C1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422478	0	41	0.0	-74.19	349.61	8.82	-65.37
NS(=O)(=O)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)O1	REAL300018422479	0	34	0.0	-85.98	326.80	0.03	-85.95
O=C([O-])C1=CN=C(CC[NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)S1	REAL300018422480	0	43	0.0	-79.73	368.24	9.93	-69.80
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3(CCOCC3)CC2)S1	REAL300018422481	0	46	0.0	-77.33	348.39	6.40	-70.93
COC1=CN=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300018422482	0	38	0.0	-78.96	328.63	5.01	-73.95
NC1=C(Cl)C=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422483	0	34	0.0	-75.85	314.31	5.50	-70.35
O=C([O-])C1=CN=C(CC[NH2+]CCC2=CC=C(F)C=C2Cl)S1	REAL300018422484	0	35	0.0	-80.15	331.05	8.14	-72.01
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CN=CC=C3O2)S1	REAL300018422485	0	34	0.0	-81.38	311.99	5.69	-75.69
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C(F)(F)F)S2)S1	REAL300018422486	0	32	0.0	-80.02	320.24	7.20	-72.82
CC1=C2C=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)NC2=CC=C1	REAL300018422487	0	39	0.0	-79.46	342.22	7.48	-71.98
O=C([O-])C1=CN=C(CC[NH2+]CC2=CSC(C(F)(F)F)=C2)S1	REAL300018422488	0	32	0.0	-80.83	320.01	7.04	-73.79
CCCOC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300018422489	0	45	0.0	-76.26	377.66	8.46	-67.80
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OC1CC1	REAL300018422490	0	44	0.0	-82.41	379.17	7.76	-74.65
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3(CCCC3)CC2)S1	REAL300018422491	0	45	0.0	-73.80	346.21	8.44	-65.36
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C(F)F)N=C2)S1	REAL300018422492	0	34	0.0	-83.12	318.80	5.97	-77.15
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3=CC=CC=C3CC2)S1	REAL300018422493	0	42	0.0	-75.97	340.48	8.87	-67.10
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC=C(Br)S2)S1	REAL300018422494	0	28	0.0	-76.17	295.87	4.77	-71.40
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC3=CC=CC=C3C2)S1	REAL300018422495	0	42	0.0	-77.09	340.67	8.90	-68.19
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C(F)F)=N1	REAL300018422496	0	35	0.0	-73.23	321.50	5.57	-67.66
CC([NH2+]CCC1=NC=C(C(=O)[O-])S1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018422497	0	44	0.0	-70.38	374.83	9.25	-61.13
CCC1(CC)CCC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC1	REAL300018422498	0	47	0.0	-73.42	350.61	8.15	-65.27
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=C2CCOC3)S1	REAL300018422499	0	40	0.0	-76.14	336.21	6.86	-69.28
O=C([O-])C1=CN=C(CC[NH2+]CC2CC2C2=CC=C(F)C=C2)S1	REAL300018422500	0	39	0.0	-79.53	344.97	9.07	-70.46
CC(CC1=COC2=CC=CC=C12)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422501	0	41	0.0	-76.35	353.03	8.57	-67.78
NS(=O)(=O)C1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422502	0	37	0.0	-85.75	343.56	1.85	-83.90
CC1=CC=C2C=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)NC2=C1	REAL300018422503	0	39	0.0	-79.22	342.64	7.50	-71.72
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC=C(C(F)(F)F)S2)S1	REAL300018422504	0	31	0.0	-78.95	314.74	5.21	-73.74
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(F)=C2OC(F)F)S1	REAL300018422505	0	36	0.0	-77.23	333.72	6.62	-70.61
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422506	0	40	0.0	-86.24	348.64	8.55	-77.69
O=C([O-])C1=CN=C(CC[NH2+]C2CCCCC(C3=CC=CC=C3)C2)S1	REAL300018422507	0	48	0.0	-76.73	377.77	10.19	-66.54
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=CN=C3O2)S1	REAL300018422508	0	34	0.0	-81.99	312.03	4.37	-77.62
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=C2)=C1	REAL300018422509	0	48	0.0	-77.49	406.40	11.63	-65.86
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC2C2=CC=C(Cl)C=C2)S1	REAL300018422510	0	42	0.0	-69.94	358.71	10.09	-59.85
CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1N1C=NC=N1	REAL300018422511	0	41	0.0	-85.29	358.34	10.35	-74.94
CC(C)(C)C1CCCC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC1	REAL300018422512	0	50	0.0	-73.47	368.97	8.76	-64.71
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC(F)=CC=C3O2)S1	REAL300018422513	0	35	0.0	-80.31	323.68	7.49	-72.82
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OCC(F)F)C=C2)S1	REAL300018422514	0	39	0.0	-81.88	353.75	7.43	-74.45
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)S1	REAL300018422515	0	39	0.0	-81.62	353.31	5.20	-76.42
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(Br)=C1	REAL300018422516	0	36	0.0	-73.18	335.15	6.74	-66.44
COCC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422517	0	39	0.0	-76.52	344.45	6.62	-69.90
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422518	0	42	0.0	-81.71	385.34	9.16	-72.55
CN(C)CC1=NC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CS1	REAL300018422519	0	39	0.0	-72.39	350.43	3.39	-69.00
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CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C(OC(F)F)C=C1C	REAL300018422521	0	42	0.0	-74.73	365.62	7.74	-66.99
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422522	0	49	0.0	-77.62	400.82	8.06	-69.56
COC1=CC(C)=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OC	REAL300018422523	0	43	0.0	-79.67	362.88	6.71	-72.96
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2C2CC2)S1	REAL300018422524	0	39	0.0	-73.31	332.42	8.90	-64.41
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CC1=C(Br)C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)S1	REAL300018422526	0	32	0.0	-75.25	321.97	7.40	-67.85
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1COC1=CC=CC=C1	REAL300018422527	0	50	0.0	-77.36	427.33	9.62	-67.74
O=C([O-])C1=CN=C(CC[NH2+]CCC2=CC=C(F)C=C2F)S1	REAL300018422528	0	35	0.0	-80.82	322.76	7.75	-73.07
CC1=CC(CC[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC(C)=C1	REAL300018422529	0	41	0.0	-77.84	353.71	8.99	-68.85
O=C([O-])C1=CN=C(CC[NH2+]CC2=CNN=C2C2=CC=CC(Cl)=C2)S1	REAL300018422530	0	39	0.0	-78.95	362.13	7.27	-71.68
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COC1=CC=C(CC(C)[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1OC	REAL300018422532	0	49	0.0	-78.31	401.82	8.02	-70.29
COC1=CC=C(N2C=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=N2)C=C1	REAL300018422533	0	43	0.0	-82.52	377.71	7.41	-75.11
CC(CCC1=CSC=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422534	0	38	0.0	-75.17	336.33	7.96	-67.21
COCCC1=CC=C(OCC(C)[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422535	0	49	0.0	-74.88	411.12	7.64	-67.24
CCC(CC1=CC=C(Br)C=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422536	0	41	0.0	-73.14	358.58	9.39	-63.75
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422537	0	42	0.0	-81.94	380.73	9.33	-72.61
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422538	0	47	0.0	-74.82	409.59	10.25	-64.57
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O=C([O-])C1=CN=C(CC[NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)S1	REAL300018422540	0	45	0.0	-77.62	382.24	10.25	-67.37
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC2C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018422541	0	45	0.0	-79.75	386.34	10.18	-69.57
O=C([O-])C1=CN=C(CC[NH2+]CC2=CNN=C2C2=CSC=C2)S1	REAL300018422542	0	36	0.0	-75.88	336.30	5.75	-70.13
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CN1N=CC2=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=CN=C21	REAL300018422544	0	37	0.0	-86.62	333.69	6.03	-80.59
CC(CCC1=CC=C(F)C=C1F)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422545	0	41	0.0	-75.39	358.21	9.14	-66.25
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422546	0	42	0.0	-65.44	378.52	9.59	-55.85
CSC1=CC(Br)=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422547	0	36	0.0	-73.04	346.38	8.44	-64.60
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422548	1	52	0.0	-74.11	411.15	8.98	-65.13
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422549	0	44	0.0	-75.55	376.02	9.76	-65.79
COCC(CC1CCOCC1)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422550	0	46	0.0	-72.86	367.83	5.24	-67.62
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC2C2=CC=CC=C2Cl)S1	REAL300018422551	0	42	0.0	-70.15	361.24	9.59	-60.56
CN1CCN(C2=NC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=N2)CC1	REAL300018422552	0	47	0.0	-82.70	392.76	5.18	-77.52
O=C([O-])C1=CN=C(CC[NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)S1	REAL300018422553	0	43	0.0	-78.95	378.55	10.38	-68.57
O=C([O-])C1=CN=C(CC[NH2+]CC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)S1	REAL300018422554	0	45	0.0	-75.60	380.06	8.46	-67.14
CN1C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=NC2=CC(C(F)(F)F)=CC=C21	REAL300018422555	0	41	0.0	-83.77	374.76	8.24	-75.53
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC2C2=CC=CC(C(F)(F)F)=C2)S1	REAL300018422556	0	45	0.0	-72.15	380.67	10.60	-61.55
CC1CCC2=C(C1)SC(C[NH2+]CCC1=NC=C(C(=O)[O-])S1)=N2	REAL300018422557	0	41	0.0	-73.15	358.70	7.25	-65.90
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2N2CCCCC2)S1	REAL300018422558	0	47	0.0	-70.46	383.34	8.94	-61.52
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3COCCC3C2)S1	REAL300018422559	0	43	0.0	-75.25	334.57	6.44	-68.81
CC1(C)CC2(CC([NH2+]CCC3=NC=C(C(=O)[O-])S3)C2)CO1	REAL300018422560	0	43	0.0	-77.39	353.42	6.46	-70.93
O=C([O-])C1=CN=C(CC[NH2+]C2CCOC3=CC=CC=C3C2)S1	REAL300018422561	0	40	0.0	-78.21	334.00	7.15	-71.06
O=C([O-])C1=CN=C(CC[NH2+]C2CCCC3=C(C=CS3)C2)S1	REAL300018422562	0	39	0.0	-77.63	333.21	8.09	-69.54
CN1C=NC2=CC=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=C21	REAL300018422563	0	38	0.0	-81.58	327.79	8.14	-73.44
COC1=CC=C(C)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422564	0	39	0.0	-74.54	333.70	6.81	-67.73
O=C([O-])C1=CN=C(CC[NH2+]CC2=NOC(C3CCC3)=C2)S1	REAL300018422565	0	38	0.0	-74.54	334.54	7.13	-67.41
CC1(C2=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=NO2)CC1	REAL300018422566	0	38	0.0	-74.70	336.97	7.06	-67.64
CC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1C	REAL300018422567	0	41	0.0	-72.94	338.94	8.62	-64.32
CC(C)(C)C1=CC=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422568	0	44	0.0	-68.49	342.76	9.08	-59.41
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=C3CCCCCN23)S1	REAL300018422569	0	42	0.0	-79.23	345.45	7.29	-71.94
COC1=CC=C2SC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=CC2=C1	REAL300018422570	0	39	0.0	-77.60	356.32	7.73	-69.87
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(C3=CC=CC=C3)=NO2)S1	REAL300018422571	0	38	0.0	-84.05	344.35	8.06	-75.99
CCN1CCC2=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=CC=C21	REAL300018422572	0	44	0.0	-76.43	368.69	7.52	-68.91
CC1(C)CC2(CO1)CCC([NH2+]CCC1=NC=C(C(=O)[O-])S1)CC2	REAL300018422573	0	49	0.0	-78.27	376.48	7.18	-71.09
CSC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1Cl	REAL300018422574	0	36	0.0	-80.82	344.61	8.36	-72.46
CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1C1CC1	REAL300018422575	0	42	0.0	-74.57	356.41	9.50	-65.07
COC1=CC=CC2=C1CCCC([NH2+]CCC1=NC=C(C(=O)[O-])S1)C2	REAL300018422576	0	46	0.0	-78.85	368.63	8.28	-70.57
CCOC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=N1	REAL300018422577	0	38	0.0	-80.49	338.33	4.54	-75.95
CC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1C1CC1	REAL300018422578	0	42	0.0	-74.63	356.42	9.51	-65.12
CC1=NN(C2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C(C)=C2)C=C1	REAL300018422579	0	45	0.0	-82.92	385.05	9.22	-73.70
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)S1	REAL300018422580	0	38	0.0	-81.45	360.58	8.76	-72.69
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422581	0	42	0.0	-81.80	379.75	9.19	-72.61
CC1=NN(C2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=C2)C=C1Cl	REAL300018422582	0	42	0.0	-83.26	386.30	9.18	-74.08
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=C(C3CCOCC3)O2)S1	REAL300018422583	0	42	0.0	-79.83	361.66	3.36	-76.47
CC1OC2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=C2C1C	REAL300018422584	0	43	0.0	-78.92	362.77	8.00	-70.92
CC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OC(F)F	REAL300018422585	0	39	0.0	-75.43	348.72	7.22	-68.21
CC(C)C1=CC=C(O)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422586	0	42	0.0	-75.44	357.28	6.20	-69.24
CC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)NN=C1C(F)(F)F	REAL300018422587	0	35	0.0	-86.08	327.12	4.75	-81.33
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC(C3CC3)=CS2)S1	REAL300018422588	0	35	0.0	-74.19	325.02	6.10	-68.09
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN(CC3CC3)N=N2)S1	REAL300018422589	0	38	0.0	-79.59	338.92	5.80	-73.79
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3CCOC3=C2)S1	REAL300018422590	0	37	0.0	-77.29	325.24	6.74	-70.55
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC3=C(CCCC3)N2)S1	REAL300018422591	0	39	0.0	-76.43	332.34	5.97	-70.46
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3COCCC3=C2)S1	REAL300018422592	0	40	0.0	-76.97	343.09	6.98	-69.99
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2C2CCC2)S1	REAL300018422593	0	42	0.0	-73.56	348.77	9.36	-64.20
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C2CCOCC2)=N1	REAL300018422594	0	46	0.0	-81.97	387.17	6.04	-75.93
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)S1	REAL300018422595	0	40	0.0	-83.02	353.67	6.74	-76.28
O=C([O-])C1=CN=C(CC[NH2+]C2CC(COCC3=CC=CC=C3)C2)S1	REAL300018422596	0	46	0.0	-76.90	392.43	8.89	-68.01
CSC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422597	0	36	0.0	-75.82	329.60	7.91	-67.91
CC(C)(C)N1N=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422598	0	41	0.0	-77.23	336.31	6.53	-70.70
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3=CC(Cl)=CC=C3C2)S1	REAL300018422599	0	39	0.0	-80.85	343.41	8.95	-71.90
CC(C)C1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)N(C)N=C1	REAL300018422600	0	41	0.0	-80.43	351.53	6.38	-74.05
O=C([O-])C1=CN=C(CC[NH2+]C2CC(C3=CC=CC=C3Br)C2)S1	REAL300018422601	0	39	0.0	-78.64	350.86	9.19	-69.45
CCC([NH2+]CCC1=NC=C(C(=O)[O-])S1)C(C)CC1=CC=CC=C1	REAL300018422602	0	47	0.0	-75.33	373.14	9.92	-65.41
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(CC3CC3)S2)S1	REAL300018422603	0	39	0.0	-72.96	354.58	9.14	-63.82
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OC3CC3)C=C2)S1	REAL300018422604	0	40	0.0	-77.88	349.93	7.87	-70.01
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)S1	REAL300018422605	0	36	0.0	-77.03	340.94	6.71	-70.32
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)S1	REAL300018422606	0	38	0.0	-79.95	360.58	8.77	-71.18
CC1=NC=CN1C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300018422607	0	45	0.0	-84.74	384.58	9.91	-74.83
CC1=C(C)N(C2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=C2)C=N1	REAL300018422608	0	45	0.0	-85.49	390.23	10.63	-74.86
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)S1	REAL300018422609	0	46	0.0	-75.32	384.34	10.92	-64.40
CC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)OC2=CC=C(F)C=C12	REAL300018422611	0	38	0.0	-79.45	343.22	8.09	-71.36
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422612	0	38	0.0	-68.74	343.50	9.03	-59.71
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422613	0	42	0.0	-83.94	369.49	8.06	-75.88
CC(C)(C)C1=CN=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422614	0	43	0.0	-78.32	360.78	7.39	-70.93
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=C(Br)C=CC=C3S2)S1	REAL300018422615	0	35	0.0	-75.75	347.21	9.01	-66.74
O=C([O-])C1=CN=C(CC[NH2+]CC2=NN(CC(F)(F)F)C=C2)S1	REAL300018422616	0	35	0.0	-77.57	331.67	5.97	-71.60
CN1C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=NC2=C1CCCC2	REAL300018422617	0	42	0.0	-76.80	352.10	7.57	-69.23
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C(F)(F)F)=N1	REAL300018422618	0	35	0.0	-77.66	327.83	5.73	-71.93
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=CC=C3C=N2)S1	REAL300018422619	0	37	0.0	-73.39	330.54	7.32	-66.07
COC1=NC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1C	REAL300018422620	0	38	0.0	-75.51	336.69	4.29	-71.22
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(C(F)F)=C2F)S1	REAL300018422621	0	35	0.0	-76.31	325.21	7.77	-68.54
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=C2COCC3)S1	REAL300018422622	0	40	0.0	-76.60	336.09	6.89	-69.71
CCOC1=CC=C(Cl)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422623	0	39	0.0	-71.81	356.11	7.71	-64.10
O=C([O-])C1=CN=C(CC[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)S1	REAL300018422624	0	39	0.0	-79.99	351.82	6.82	-73.17
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CCC(C)N1N=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422626	0	41	0.0	-80.03	350.70	6.68	-73.35
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN(C3CCCCC3)N=C2)S1	REAL300018422627	0	45	0.0	-76.92	374.04	7.95	-68.97
COC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=CC=C1C(C)(C)C	REAL300018422628	0	48	0.0	-70.79	382.84	8.63	-62.16
CN1C=C(Br)N=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422629	0	32	0.0	-80.30	311.60	5.76	-74.54
COC1=CC(C)=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300018422630	0	38	0.0	-79.67	331.70	4.21	-75.46
O=C([O-])C1=CN=C(CC[NH2+]CC2=NC3=CC=CC=C3S2)S1	REAL300018422631	0	34	0.0	-75.55	321.05	6.34	-69.21
COC1=CC=CC(C2CC([NH2+]CCC3=NC=C(C(=O)[O-])S3)C2)=C1	REAL300018422632	0	43	0.0	-77.97	361.69	7.98	-69.99
CC1=NOC(C2CC([NH2+]CCC3=NC=C(C(=O)[O-])S3)C2)=N1	REAL300018422633	0	37	0.0	-84.09	326.75	4.31	-79.78
O=C([O-])C1=CN=C(CC[NH2+]C2CC(C3CCOCC3)C2)S1	REAL300018422634	0	43	0.0	-76.36	350.68	6.64	-69.72
CC1=CC(C)=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1Br	REAL300018422635	0	41	0.0	-75.85	358.84	9.05	-66.80
O=C([O-])C1=CN=C(CC[NH2+]CC=CC2=CC=C3OCOC3=C2)S1	REAL300018422636	0	39	0.0	-83.47	346.49	6.85	-76.62
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(CC3CCC3)C=C2)S1	REAL300018422637	0	45	0.0	-73.83	380.50	10.41	-63.42
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422638	0	42	0.0	-82.31	385.58	7.67	-74.64
COC1=CC=C(CC(C)[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300018422639	0	45	0.0	-74.71	370.13	7.97	-66.74
CCC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=NN1CC	REAL300018422640	0	41	0.0	-74.88	348.75	6.81	-68.07
CC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C(F)(F)F)=CO1	REAL300018422641	0	35	0.0	-73.08	328.73	6.68	-66.40
CC(F)(F)C1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422642	0	38	0.0	-77.80	342.59	8.42	-69.38
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)S1	REAL300018422643	0	38	0.0	-81.01	352.31	7.67	-73.34
CN1C=C(C2=NNC=C2C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=N1	REAL300018422644	0	39	0.0	-77.56	349.89	4.60	-72.96
COC1=CC=C(CCC(C)[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C)=C1	REAL300018422645	0	48	0.0	-79.01	391.17	8.79	-70.22
O=C([O-])C1=CN=C(CC[NH2+]C2CC3CCCCCC3C2)S1	REAL300018422646	0	45	0.0	-73.68	343.95	8.49	-65.19
CC1CCC([NH2+]CCC2=NC=C(C(=O)[O-])S2)CC2=CC=CC=C21	REAL300018422647	0	45	0.0	-77.28	357.16	9.36	-67.92
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)S1	REAL300018422648	0	39	0.0	-77.11	354.95	9.32	-67.79
CCOC1=CC(CCC(C)[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1O	REAL300018422649	0	49	0.0	-81.76	408.46	7.07	-74.69
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)S1	REAL300018422650	0	38	0.0	-78.99	347.06	9.53	-69.46
COC1=C(C)C(C)=C(OC)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300018422651	0	49	0.0	-72.16	401.49	7.58	-64.58
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2OC2CCCCC2)S1	REAL300018422652	0	49	0.0	-70.04	398.95	9.73	-60.31
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)S1	REAL300018422653	0	43	0.0	-79.76	394.80	10.25	-69.51
C=CCC1=CC=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422654	0	39	0.0	-73.92	336.52	8.76	-65.16
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2COC2CCCCC2)S1	REAL300018422655	0	52	0.0	-76.14	419.62	10.41	-65.73
COC1=CC=CC(OC2=CC=C(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)C=C2)=C1	REAL300018422656	0	47	0.0	-83.96	407.58	9.04	-74.92
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422657	0	47	0.0	-79.91	408.68	9.67	-70.24
COCC1=CC=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422658	0	39	0.0	-76.12	335.86	6.74	-69.38
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)S1	REAL300018422659	0	45	0.0	-80.98	398.47	11.61	-69.37
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)S1	REAL300018422660	0	36	0.0	-80.25	345.78	8.35	-71.90
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3CCOCC3=C2)S1	REAL300018422661	0	40	0.0	-77.35	343.10	6.98	-70.37
CC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)SC2=CC(F)=CC=C12	REAL300018422662	0	38	0.0	-77.90	349.93	9.03	-68.87
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)S1	REAL300018422663	0	38	0.0	-86.62	344.00	5.07	-81.55
COC1=CC=C(F)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1OC	REAL300018422664	0	40	0.0	-69.84	353.70	6.18	-63.66
CCN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C2CC2)=N1	REAL300018422665	0	42	0.0	-78.30	365.79	7.73	-70.57
COC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1OCCO	REAL300018422666	0	44	0.0	-84.28	381.36	3.93	-80.35
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C2=CC=NN2C)=N1	REAL300018422667	0	42	0.0	-78.96	374.13	5.83	-73.13
CC(C)(C)C1=NOC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422668	0	40	0.0	-84.87	336.98	6.65	-78.22
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CN=CC=C3C=C2)S1	REAL300018422669	0	37	0.0	-82.66	330.38	7.38	-75.28
COC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CC=C1OCC1CCCO1	REAL300018422670	0	51	0.0	-83.54	427.07	7.52	-76.02
CC1=CC2=CC=CC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=C2O1	REAL300018422671	0	38	0.0	-73.52	338.62	8.04	-65.48
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)S1	REAL300018422672	0	35	0.0	-84.18	323.23	7.99	-76.19
O=C([O-])C1=CN=C(CC[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)S1	REAL300018422673	0	39	0.0	-71.23	364.29	7.67	-63.56
O=C([O-])C1=CN=C(CC[NH2+]CC2=CON=C2C2CCC2)S1	REAL300018422674	0	38	0.0	-81.66	334.09	6.97	-74.69
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)S1	REAL300018422675	0	35	0.0	-79.15	333.68	7.93	-71.22
CC(C)OC1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1F	REAL300018422676	0	42	0.0	-82.12	364.91	7.82	-74.30
CC1=NN(C2CCCC2)C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1	REAL300018422677	0	45	0.0	-81.16	377.48	7.98	-73.18
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=NN2CC(F)F)S1	REAL300018422678	0	35	0.0	-85.60	320.29	5.70	-79.90
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)S1	REAL300018422680	0	39	0.0	-80.63	354.63	8.17	-72.46
O=C([O-])C1=CN=C(CC[NH2+]CC2=NN(C3CCC3)C=C2)S1	REAL300018422681	0	39	0.0	-72.64	335.50	6.48	-66.16
O=C([O-])C1=CN=C(CC[NH2+]CC2=NN(CC(F)F)C=C2)S1	REAL300018422682	0	35	0.0	-76.36	326.78	5.76	-70.60
O=C([O-])C1=CN=C(CC[NH2+]CC2=NN(C3CC3(F)F)C=C2)S1	REAL300018422683	0	36	0.0	-76.52	335.30	6.34	-70.18
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)S1	REAL300018422684	0	37	0.0	-71.12	350.47	8.02	-63.10
O=C([O-])C1=CN=C(CC[NH2+]CC2=NN(C3CCCC3)C=C2)S1	REAL300018422685	0	42	0.0	-72.05	355.15	7.25	-64.80
O=C([O-])C1=CN=C(CC[NH2+]CC2=C3OC=CC3=C(F)C=C2)S1	REAL300018422686	0	35	0.0	-79.24	323.15	7.29	-71.95
O=C([O-])C1=CN=C(CC[NH2+]CC2=C3OC=CC3=CC(Cl)=C2)S1	REAL300018422687	0	35	0.0	-75.56	333.45	7.73	-67.83
COC1=CC=CC(CN2CCC([NH2+]CCC3=NC=C(C(=O)[O-])S3)CC2)=C1	REAL300018422688	0	51	0.0	-75.96	410.17	6.58	-69.38
COC1=CC=C2SC(C[NH2+]CCC3=NC=C(C(=O)[O-])S3)=NC2=C1	REAL300018422689	0	38	0.0	-77.88	350.58	5.63	-72.25
O=C([O-])C1=CN=C(CC[NH2+]CC2=CN=C3C=C(Br)C=CN23)S1	REAL300018422690	0	35	0.0	-84.61	337.55	7.95	-76.66
CC1=CC(Br)=CC(C)=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422691	0	38	0.0	-77.08	343.84	8.57	-68.51
CN1N=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1C1=CC=CO1	REAL300018422692	0	39	0.0	-76.58	351.01	6.22	-70.36
O=C([O-])C1=CN=C(CC[NH2+]CC2=C(Cl)C=CC3=C2OCO3)S1	REAL300018422693	0	35	0.0	-70.62	329.46	5.96	-64.66
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3CCCCC3)C=C2)S1	REAL300018422694	0	48	0.0	-73.96	391.24	10.70	-63.26
CC1=NN(C2CCC2)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422695	0	42	0.0	-77.42	357.20	7.26	-70.16
COC1=CC=CC=C1C=CC[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422696	0	40	0.0	-76.93	348.80	7.55	-69.38
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)S1	REAL300018422697	0	40	0.0	-82.76	358.57	7.24	-75.52
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422698	0	39	0.0	-85.02	352.69	6.15	-78.87
CC(C)(C)N1CCCC([NH2+]CCC2=NC=C(C(=O)[O-])S2)C1	REAL300018422699	0	46	0.0	-72.61	352.48	5.39	-67.22
CC(C)(C)[N@@H+]1CCCC(NCCC2=NC=C(C(=O)[O-])S2)C1	REAL300018422699	1	46	0.0	-64.48	347.02	6.77	-57.71
CC(C)(C)[N@H+]1CCCC(NCCC2=NC=C(C(=O)[O-])S2)C1	REAL300018422699	1	46	0.0	-63.96	352.70	6.33	-57.63
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)S1	REAL300018422700	0	45	0.0	-75.63	392.18	11.36	-64.27
O=C([O-])C1=CN=C(CC[NH2+]C2CC(C3=CC=C(OC(F)(F)F)C=C3)C2)S1	REAL300018422701	0	43	0.0	-80.17	378.11	8.47	-71.70
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC(C3=CC=CC=C3)=CC=N2)S1	REAL300018422702	0	41	0.0	-74.97	358.98	8.49	-66.48
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422703	0	53	0.0	-75.04	419.23	9.12	-65.92
CC1=CC=C(C2CCC([NH2+]CCC3=NC=C(C(=O)[O-])S3)CC2)C=C1	REAL300018422704	0	48	0.0	-74.97	380.48	10.65	-64.32
COC1=CC(C)=CC(OC)=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422705	0	43	0.0	-66.23	367.10	6.27	-59.96
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)S1	REAL300018422706	0	36	0.0	-82.95	351.41	7.24	-75.71
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)S1	REAL300018422707	0	42	0.0	-80.27	377.96	9.72	-70.55
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C3SC=CC3=C2)S1	REAL300018422708	0	35	0.0	-79.38	326.31	8.27	-71.11
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)S1	REAL300018422709	0	41	0.0	-80.78	358.80	8.56	-72.22
CC1=CC=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1C(F)(F)F	REAL300018422710	0	38	0.0	-78.06	334.23	8.51	-69.55
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=NNC=C3C=C2)S1	REAL300018422711	0	35	0.0	-79.77	315.63	5.61	-74.16
CCC(C)C1=CC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=C1	REAL300018422712	0	44	0.0	-73.94	368.06	9.49	-64.45
O=C([O-])C1=CN=C(CC[NH2+]C2CCC3(C2)CCOCC3)S1	REAL300018422713	0	43	0.0	-76.55	339.48	6.13	-70.42
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422714	0	45	0.0	-78.96	390.94	9.50	-69.46
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=CC3=C2CCCC3)S1	REAL300018422715	0	42	0.0	-74.38	344.73	9.25	-65.13
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422716	0	39	0.0	-80.52	349.88	8.79	-71.73
COC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=CC(Br)=C1F	REAL300018422717	0	36	0.0	-80.02	345.70	6.96	-73.06
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)S1	REAL300018422718	0	38	0.0	-89.09	341.76	6.81	-82.28
CC1=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C=CC2=CC=CC=C21	REAL300018422719	0	41	0.0	-76.57	346.86	9.58	-66.99
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422720	0	50	0.0	-76.81	414.57	8.55	-68.26
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)S1	REAL300018422721	0	38	0.0	-80.42	353.94	9.67	-70.75
COC1=C2C=CNC2=CC=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422722	0	40	0.0	-72.87	350.26	6.31	-66.56
O=C([O-])C1=CN=C(CC[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)S1	REAL300018422723	0	45	0.0	-76.98	376.99	3.90	-73.08
CCCN1N=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=C1C	REAL300018422724	0	41	0.0	-76.95	354.06	6.75	-70.20
CC1=CC(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)=CN=C1N1C=CC=N1	REAL300018422725	0	41	0.0	-85.15	361.52	8.22	-76.93
O=C([O-])C1=CN=C(CC[NH2+]C2CCC2CC2=CC=CC=C2)S1	REAL300018422726	0	42	0.0	-75.57	354.07	9.85	-65.72
CCCN1N=C(C)C=C1C[NH2+]CCC1=NC=C(C(=O)[O-])S1	REAL300018422727	0	41	0.0	-80.82	355.35	6.70	-74.12
CN1C=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)C(C2CCC2)=N1	REAL300018422728	0	42	0.0	-78.37	360.62	7.31	-71.06
CC(C)(C)C1=NC=C(C[NH2+]CCC2=NC=C(C(=O)[O-])S2)O1	REAL300018422729	0	40	0.0	-77.34	348.58	4.39	-72.95
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)CCCC1	REAL300018422730	0	42	0.0	-52.73	354.48	8.87	-43.86
CSC1=CC=CC=C1CC(C)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422731	0	46	0.0	-34.15	344.89	10.98	-23.17
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)CCCC1	REAL300018422732	0	41	0.0	-37.93	331.50	8.80	-29.13
O=C([O-])C1(C[NH2+]CC2=NC=C(Br)C=C2Br)CCCC1	REAL300018422733	0	35	0.0	-37.45	313.45	7.74	-29.71
COC1=CC=C(OC2=CC=C(C[NH2+]CC3(C(=O)[O-])CCCC3)C=C2)C=C1	REAL300018422734	0	51	0.0	-45.13	397.21	10.61	-34.52
CN1C=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(C2CCCCC2)=N1	REAL300018422735	0	52	0.0	-43.11	385.84	10.01	-33.10
O=C([O-])C1(C[NH2+]CC2=CN(CC3=CC=CN=C3)N=N2)CCCC1	REAL300018422736	0	44	0.0	-56.05	351.98	7.04	-49.01
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)CCCC1	REAL300018422737	0	42	0.0	-52.31	363.80	9.28	-43.03
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)CCCC1	REAL300018422738	0	43	0.0	-52.65	356.15	9.24	-43.41
COC1=CC=C2CCC([NH2+]CC3(C(=O)[O-])CCCC3)CC2=C1	REAL300018422739	0	47	0.0	-42.84	346.21	9.20	-33.64
CC1=NNC(C)=C1S(=O)(=O)N1CCC([NH2+]CC2(C(=O)[O-])CCCC2)CC1	REAL300018422740	0	54	0.0	-49.47	403.69	5.20	-44.27
O=C([O-])C1(C[NH2+]C(CCC2=CC=CC=C2)CC2=CC=CC=C2)CCCC1	REAL300018422741	0	55	0.0	-40.25	410.56	14.11	-26.14
CCCC(CCC1=CC=CC=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422742	0	51	0.0	-37.84	373.76	11.98	-25.86
O=C([O-])C1(C[NH2+]CC2=C(Br)C=CS2)CCCC1	REAL300018422743	0	33	0.0	-35.23	288.67	8.11	-27.12
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)CCCC1	REAL300018422744	0	41	0.0	-37.95	336.07	8.90	-29.05
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422745	0	48	0.0	-45.84	362.52	9.19	-36.65
COC1=CC=C(CC(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1OC	REAL300018422746	0	50	0.0	-48.74	372.23	8.95	-39.79
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422747	0	49	0.0	-43.34	374.90	10.12	-33.22
COC1=CC=C(CCC(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422748	0	49	0.0	-41.85	365.15	9.84	-32.01
CC=CCOC1=CC=C(CCC(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422749	0	56	0.0	-41.96	421.61	12.22	-29.74
O=C([O-])C1(C[NH2+]C2CCCC2CC2=CC=CC=C2)CCCC1	REAL300018422750	0	49	0.0	-39.36	360.46	11.54	-27.82
CC1=CC=C(C2CCCC2[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422751	0	49	0.0	-36.92	358.85	11.36	-25.56
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422752	0	45	0.0	-40.81	353.03	10.74	-30.07
CC1CC([NH2+]CC2(C(=O)[O-])CCCC2)CN(CC2=CC=CC=C2)C1	REAL300018422753	0	54	0.0	-39.02	390.73	9.55	-29.47
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)CCCC1	REAL300018422754	0	42	0.0	-44.11	360.74	10.01	-34.10
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)CCCC1	REAL300018422755	0	40	0.0	-37.64	328.97	8.35	-29.29
O=C([O-])C1(C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)CCCC1	REAL300018422756	0	55	0.0	-43.36	416.04	11.97	-31.39
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)CCCC1	REAL300018422757	0	46	0.0	-46.18	376.53	10.68	-35.50
CC1=CC=CC=C1N1C=C(C[NH2+]CC2(C(=O)[O-])CCCC2)N=N1	REAL300018422758	0	45	0.0	-52.85	347.81	9.03	-43.82
COCCOCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422759	0	50	0.0	-43.98	389.54	8.43	-35.55
CN(C)C1=CC(Cl)=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422760	0	44	0.0	-36.28	363.28	9.35	-26.93
O=C([O-])C1(C[NH2+]CC2=CC=C(C3CCCC3)C=C2)CCCC1	REAL300018422762	0	49	0.0	-39.94	362.54	11.66	-28.28
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422763	0	46	0.0	-36.38	351.40	9.30	-27.08
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2N2CCOCC2)CCCC1	REAL300018422764	0	49	0.0	-36.67	379.29	8.43	-28.24
CC1CN(C2=CC=CC=C2C[NH2+]CC2(C(=O)[O-])CCCC2)CCO1	REAL300018422765	0	52	0.0	-35.77	383.88	8.84	-26.93
CC(C)C1=CC=C(C2(O)CCC([NH2+]CC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300018422766	0	59	0.0	-38.56	413.40	10.39	-28.17
CS(=O)(=O)CC1CCC([NH2+]CC2(C(=O)[O-])CCCC2)CC1	REAL300018422767	0	48	0.0	-44.95	350.02	6.27	-38.68
CC1=C(C[NH2+]CC2(C(=O)[O-])CCCC2)N2C(C3CC3)=CSC2=N1	REAL300018422768	0	46	0.0	-44.67	360.04	10.49	-34.18
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422769	0	49	0.0	-33.54	368.25	12.30	-21.24
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422770	0	46	0.0	-45.75	363.81	10.34	-35.41
CC1=CC(C[NH2+]CC2(C(=O)[O-])CCCC2)=CC=C1C(F)(F)F	REAL300018422771	0	42	0.0	-45.19	333.41	9.98	-35.21
O=C([O-])C1(C[NH2+]CC2=CN=NN2C2=CC=CC=C2)CCCC1	REAL300018422772	0	42	0.0	-49.87	329.32	8.11	-41.76
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)N=C2)CCCC1	REAL300018422773	0	46	0.0	-48.29	372.09	8.87	-39.42
COC1=CC=C(C2=CC(C[NH2+]CC3(C(=O)[O-])CCCC3)=CC3=C2OCO3)C=N1	REAL300018422774	0	52	0.0	-51.69	412.91	7.50	-44.19
CCCCOC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422775	0	49	0.0	-35.09	371.99	10.35	-24.74
O=C([O-])C1(C[NH2+]CC2=CC=CC(Br)=C2)CCCC1	REAL300018422776	0	36	0.0	-43.06	299.61	9.05	-34.01
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2C(F)(F)F)CCCC1	REAL300018422777	0	39	0.0	-36.35	307.55	9.54	-26.81
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1OC	REAL300018422778	0	47	0.0	-46.28	359.59	8.59	-37.69
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)CCCC1	REAL300018422779	0	43	0.0	-46.28	345.64	10.42	-35.86
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CS2)CCCC1	REAL300018422780	0	33	0.0	-43.49	290.12	8.17	-35.32
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)CCCC1	REAL300018422781	0	42	0.0	-45.82	350.25	9.33	-36.49
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422782	0	45	0.0	-48.66	349.85	7.47	-41.19
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)CCCC1	REAL300018422783	0	39	0.0	-41.41	329.59	9.93	-31.48
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)CCCC1	REAL300018422784	0	39	0.0	-50.87	323.31	9.52	-41.35
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2Cl)CCCC1	REAL300018422785	0	36	0.0	-36.61	308.41	9.43	-27.18
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)CCCC1	REAL300018422786	0	39	0.0	-38.54	313.95	9.61	-28.93
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)CCCC1	REAL300018422787	0	39	0.0	-46.74	324.46	9.55	-37.19
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC=C2Br)CCCC1	REAL300018422788	0	36	0.0	-36.53	301.65	9.09	-27.44
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CCCC1	REAL300018422789	0	42	0.0	-47.28	356.78	10.47	-36.81
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)CCCC1	REAL300018422790	0	45	0.0	-46.37	350.72	10.35	-36.02
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422791	0	51	0.0	-44.96	372.52	9.00	-35.96
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)CCCC1	REAL300018422792	0	39	0.0	-45.94	339.35	10.08	-35.86
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(Br)=C1	REAL300018422793	0	39	0.0	-40.82	315.82	9.72	-31.10
O=C([O-])C1(C[NH2+]CC2=NC=CC=C2C(F)(F)F)CCCC1	REAL300018422794	0	38	0.0	-35.86	302.86	7.54	-28.32
COC1=CC=C2OC(C[NH2+]CC3(C(=O)[O-])CCCC3)=CC2=C1	REAL300018422795	0	43	0.0	-47.49	336.34	8.28	-39.21
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1Br	REAL300018422796	0	39	0.0	-40.60	318.49	9.66	-30.94
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422797	0	42	0.0	-45.25	342.12	9.23	-36.02
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)CCCC1	REAL300018422798	0	40	0.0	-48.58	324.48	8.12	-40.46
CC1=NN2C(=NC(C)=C2C[NH2+]CC2(C(=O)[O-])CCCC2)S1	REAL300018422799	0	41	0.0	-44.85	332.77	7.62	-37.23
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)CCCC1	REAL300018422800	0	50	0.0	-41.92	396.68	11.82	-30.10
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422801	0	42	0.0	-53.12	342.21	9.33	-43.79
CC(C[NH2+]CC1(C(=O)[O-])CCCC1)C1=CC=CC(Br)=C1	REAL300018422802	0	42	0.0	-39.44	334.66	10.41	-29.03
COC1=CC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1Cl	REAL300018422803	0	40	0.0	-38.95	337.19	8.77	-30.18
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)CCCC1	REAL300018422804	0	45	0.0	-40.63	353.94	10.16	-30.47
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422805	0	58	0.0	-40.57	430.55	12.54	-28.03
CC(C)(C)C1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422806	0	55	0.0	-43.10	417.23	12.78	-30.32
CC1(C)CCC2=C(C1)SC(C[NH2+]CC1(C(=O)[O-])CCCC1)=N2	REAL300018422807	0	48	0.0	-37.69	363.22	9.13	-28.56
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCCO3)S2)CCCC1	REAL300018422808	0	43	0.0	-46.90	342.17	6.67	-40.23
COC1=C(Br)C=C(C[NH2+]CC2(C(=O)[O-])CCCC2)S1	REAL300018422809	0	37	0.0	-45.21	322.21	7.57	-37.64
O=C([O-])C1(C[NH2+]CC2=CN=CC(Br)=C2)CCCC1	REAL300018422810	0	35	0.0	-45.24	295.16	7.29	-37.95
CCN1N=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C2=CC=CC=C21	REAL300018422811	0	45	0.0	-45.90	350.75	9.25	-36.65
O=C([O-])C1(C[NH2+]CCCCC2=CC=CC(C(F)(F)F)=C2)CCCC1	REAL300018422812	0	48	0.0	-42.76	382.23	11.80	-30.96
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422813	0	49	0.0	-40.79	376.44	9.49	-31.30
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422814	0	45	0.0	-45.51	362.67	7.95	-37.56
O=C([O-])C1(C[NH2+]CCCC2=CC=C3OCCC3=C2)CCCC1	REAL300018422815	0	47	0.0	-44.99	357.89	9.87	-35.12
COC1=C(Br)C=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422816	0	40	0.0	-38.74	328.86	8.53	-30.21
O=C([O-])C1(C[NH2+]C2CCC(CC3=CC=CC=C3)C2)CCCC1	REAL300018422817	0	49	0.0	-38.49	356.12	11.61	-26.88
CC1(C2=CC=CC=C2)CCC([NH2+]CC2(C(=O)[O-])CCCC2)C1	REAL300018422818	0	49	0.0	-40.12	354.72	11.08	-29.04
O=C([O-])C1(C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)CCCC1	REAL300018422819	0	46	0.0	-49.55	369.65	10.21	-39.34
O=C([O-])C1(C[NH2+]CCCC2=C(F)C=CC=C2Cl)CCCC1	REAL300018422820	0	42	0.0	-40.00	341.36	10.47	-29.53
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)O2)CCCC1	REAL300018422821	0	33	0.0	-45.89	281.44	7.34	-38.55
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422822	0	42	0.0	-43.66	332.88	10.10	-33.56
COC1=CC=C2N=C(C[NH2+]CC3(C(=O)[O-])CCCC3)SC2=C1	REAL300018422823	0	42	0.0	-42.72	340.64	7.28	-35.44
CC(CC1=CC=C(Br)C=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422824	0	42	0.0	-39.02	335.58	10.35	-28.67
O=C([O-])C1(C[NH2+]CC2=CC(Br)=C(Cl)S2)CCCC1	REAL300018422825	0	33	0.0	-45.87	306.71	8.68	-37.19
COCCN(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=N1	REAL300018422826	0	50	0.0	-44.40	380.81	8.44	-35.96
CC(C)N(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=N1	REAL300018422827	0	49	0.0	-44.51	365.72	9.74	-34.77
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC3CC3)C=C2)CCCC1	REAL300018422828	0	47	0.0	-42.20	362.02	10.28	-31.92
COC1=CC=C(CCC(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1O	REAL300018422829	0	50	0.0	-45.21	376.71	7.65	-37.56
O=C([O-])C1(C[NH2+]C2CCN(CC3=CC=CC=C3)CC2)CCCC1	REAL300018422830	0	51	0.0	-41.30	371.47	8.96	-32.34
O=C([O-])C1(C[NH2+]C2CCCCC2C2CCCCC2)CCCC1	REAL300018422831	0	55	0.0	-35.53	368.26	11.36	-24.17
O=C([O-])C1(C[NH2+]C2CCC(C3=CC=CC=C3)CC2)CCCC1	REAL300018422832	0	49	0.0	-38.26	348.37	11.48	-26.78
O=C([O-])C1(C[NH2+]C2CCCCC2C2=CC=CC=C2)CCCC1	REAL300018422833	0	49	0.0	-36.18	338.96	11.71	-24.47
O=C([O-])C1(C[NH2+]C2CCCN(CC3=CC=CC=C3)C2)CCCC1	REAL300018422834	0	51	0.0	-39.69	370.73	8.97	-30.72
O=C([O-])C1(C[NH2+]C2CCN(C3=CC=CC=C3)CC2)CCCC1	REAL300018422835	0	48	0.0	-40.51	346.06	8.72	-31.79
CC1(C2=CC=CC=C2)CCC([NH2+]CC2(C(=O)[O-])CCCC2)CC1	REAL300018422836	0	52	0.0	-38.19	357.31	11.58	-26.61
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(Br)=C2)CCCC1	REAL300018422837	0	36	0.0	-46.99	315.12	9.54	-37.45
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)CCCC1	REAL300018422839	0	41	0.0	-39.49	336.76	9.47	-30.02
COC1=CC(Br)=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1O	REAL300018422840	0	41	0.0	-43.10	334.62	6.18	-36.92
CCC1=NOC(C2CCC([NH2+]CC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300018422841	0	50	0.0	-42.13	361.37	7.19	-34.94
CC(C)SC1=CC(Br)=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422842	0	46	0.0	-36.02	373.84	11.40	-24.62
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)CCCC1	REAL300018422843	0	44	0.0	-46.76	345.76	10.23	-36.53
O=C([O-])C1(C[NH2+]C2CCN(CCC3=CC=C(F)C=C3)CC2)CCCC1	REAL300018422844	0	54	0.0	-41.63	398.52	9.76	-31.87
O=C([O-])C1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCCC1	REAL300018422845	0	44	0.0	-39.44	321.99	6.01	-33.43
O=C([O-])C1(C[NH2+]C2CCN(C3=CC=CC=N3)CC2)CCCC1	REAL300018422846	0	47	0.0	-42.04	344.49	8.12	-33.92
COC1=CC=C(N2CCC([NH2+]CC3(C(=O)[O-])CCCC3)CC2)C=C1	REAL300018422848	0	52	0.0	-42.32	375.59	8.01	-34.31
O=C([O-])C1(C[NH2+]C2CCN(C3=CC=C([N+](=O)[O-])C=C3)CC2)CCCC1	REAL300018422850	0	50	0.0	-48.86	374.27	9.39	-39.47
O=C([O-])C1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CCCC1	REAL300018422851	0	47	0.0	-41.25	350.32	7.05	-34.20
O=C([O-])C1(C[NH2+]C2CCN(CC3=CC=CC=C3Br)CC2)CCCC1	REAL300018422852	0	51	0.0	-38.35	389.46	9.36	-28.99
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422853	0	50	0.0	-37.93	381.26	11.26	-26.67
O=C([O-])C1(C[NH2+]CC2=CC=C(SC(F)F)C=C2)CCCC1	REAL300018422854	0	40	0.0	-43.30	328.81	9.74	-33.56
COC1=CC=CC2=C1CCC([NH2+]CC1(C(=O)[O-])CCCC1)C2	REAL300018422855	0	47	0.0	-40.84	344.84	9.28	-31.56
CC1=CC=C(N2C(Cl)=C(C[NH2+]CC3(C(=O)[O-])CCCC3)N=C2N(C)C)C=C1	REAL300018422856	0	54	0.0	-39.40	436.61	12.07	-27.33
O=C([O-])C1(C[NH2+]CC2=CC=C(SC3=CC=CC=N3)O2)CCCC1	REAL300018422857	0	43	0.0	-46.65	355.07	9.63	-37.02
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)CCCC1	REAL300018422858	0	47	0.0	-44.72	374.09	11.39	-33.33
O=C([O-])C1(C[NH2+]C2CC(C3=CC=C(Br)C=C3)C2)CCCC1	REAL300018422859	0	43	0.0	-42.60	342.71	10.80	-31.80
CC(C)(C)C1=CC=C(CC[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422860	0	51	0.0	-39.21	376.70	11.57	-27.64
CCOC1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422861	0	43	0.0	-38.42	346.46	9.36	-29.06
CN1N=CC(Br)=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422862	0	36	0.0	-46.46	300.92	6.63	-39.83
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CO3)S2)CCCC1	REAL300018422863	0	39	0.0	-46.84	326.79	7.57	-39.27
CC1=NN(C)C(C[NH2+]CC2(C(=O)[O-])CCCC2)=C1Br	REAL300018422864	0	39	0.0	-46.61	321.99	7.20	-39.41
O=C([O-])C1(C[NH2+]CC2(C3=CC=CC=C3)CCOC2)CCCC1	REAL300018422865	0	47	0.0	-44.19	341.05	8.95	-35.24
O=C([O-])C1(C[NH2+]CC2=CC=C(OCCCCl)C=C2)CCCC1	REAL300018422866	0	46	0.0	-44.89	369.00	10.12	-34.77
CN1C=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CCCC3)C=C2)C=N1	REAL300018422867	0	46	0.0	-45.17	359.11	9.77	-35.40
CN(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(C(F)(F)F)=C1	REAL300018422868	0	47	0.0	-36.28	360.01	9.95	-26.33
CC([NH2+]CC1(C(=O)[O-])CCCC1)C1CCN(CC2=CC=CC=C2)C1	REAL300018422869	1	54	0.0	-38.44	389.68	9.08	-29.36
CC([NH2+]CC1(C(=O)[O-])CCCC1)C1CCS(=O)(=O)CC1	REAL300018422870	0	45	0.0	-50.62	328.98	5.10	-45.52
O=C([O-])C1(C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)CCCC1	REAL300018422871	0	43	0.0	-48.81	341.59	9.44	-39.37
CC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422872	0	46	0.0	-45.94	354.30	10.30	-35.64
COC1=CC=CC=C1N1N=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422873	0	47	0.0	-48.41	364.58	8.84	-39.57
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=N1	REAL300018422874	0	50	0.0	-46.16	387.37	10.90	-35.26
O=C([O-])C1(C[NH2+]CC2CCC(C3=CC=CC=C3)CC2)CCCC1	REAL300018422875	0	52	0.0	-43.48	376.89	12.16	-31.32
O=C([O-])C1(C[NH2+]CC(CC2=CC=CC=C2)CC2=CC=CC=C2)CCCC1	REAL300018422876	0	55	0.0	-45.78	411.38	14.12	-31.66
CC(CC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422877	0	45	0.0	-44.31	352.51	10.77	-33.54
CC1=CC=CN=C1C1CCCC([NH2+]CC2(C(=O)[O-])CCCC2)C1	REAL300018422878	0	51	0.0	-36.80	363.64	10.39	-26.41
O=C([O-])C1(C[NH2+]C2CCC(C3=CC=C(C(F)(F)F)C=C3)C2)CCCC1	REAL300018422879	0	49	0.0	-44.04	377.58	11.77	-32.27
O=C([O-])C1(C[NH2+]CC2=C(Br)N3C=CC=CC3=N2)CCCC1	REAL300018422880	0	39	0.0	-41.88	326.51	9.42	-32.46
CN1C=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CCCC3)S2)C=N1	REAL300018422881	0	43	0.0	-45.40	352.95	9.16	-36.24
CC1=NN(C2=CC=CC=N2)C(C)=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422882	0	48	0.0	-46.44	372.37	10.25	-36.19
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(C2=CC=NN2C)=C1	REAL300018422883	0	49	0.0	-36.26	372.79	9.96	-26.30
CC(C[NH2+]CC1(C(=O)[O-])CCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018422884	0	45	0.0	-44.55	353.39	10.69	-33.86
O=C([O-])C1(C[NH2+]CC2=C(Br)C=NC=C2Br)CCCC1	REAL300018422885	0	35	0.0	-35.72	310.57	7.69	-28.03
O=C([O-])C1(C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)CCCC1	REAL300018422886	0	46	0.0	-40.67	378.33	10.44	-30.23
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CN=C2)CCCC1	REAL300018422887	0	42	0.0	-49.53	330.32	6.53	-43.00
CC1=NN(C)C2=NC=C(C[NH2+]CC3(C(=O)[O-])CCCC3)C=C12	REAL300018422888	0	44	0.0	-50.00	345.26	8.20	-41.80
O=C([O-])C1(C[NH2+]CCCCCOC2=CC=CC=C2)CCCC1	REAL300018422889	0	49	0.0	-42.75	373.47	10.39	-32.36
CC(CC1=CC=CC=C1)N1CCC([NH2+]CC2(C(=O)[O-])CCCC2)CC1	REAL300018422890	1	57	0.0	-39.17	406.13	10.20	-28.97
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C(Br)=C2)CCCC1	REAL300018422891	0	40	0.0	-46.85	338.67	8.70	-38.15
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3F)=C2)CCCC1	REAL300018422892	0	50	0.0	-43.48	400.39	11.98	-31.50
O=C([O-])C1(C[NH2+]CC2=CN(CC3=CC=C(C(F)(F)F)C=C3)N=C2)CCCC1	REAL300018422893	0	49	0.0	-49.91	401.98	11.14	-38.77
COCC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422894	0	50	0.0	-43.40	380.58	8.67	-34.73
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(F)C=C2F)CCCC1	REAL300018422895	0	50	0.0	-41.09	399.04	12.06	-29.03
O=C([O-])C1(C[NH2+]CC2=CC=NN2CCC2=CC=CC=C2)CCCC1	REAL300018422896	0	49	0.0	-42.28	371.06	10.52	-31.76
NS(=O)(=O)C1=CC(C[NH2+]CC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300018422897	0	41	0.0	-54.19	346.35	3.95	-50.24
COC1=CC=C(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422898	0	50	0.0	-38.21	381.23	11.25	-26.96
COC1=CC=CC(SC2=CC=CC=C2C[NH2+]CC2(C(=O)[O-])CCCC2)=C1	REAL300018422899	0	51	0.0	-34.56	401.70	11.66	-22.90
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3CCOC3)C=C2)CCCC1	REAL300018422900	0	48	0.0	-47.17	364.23	8.04	-39.13
O=C([O-])C1(C[NH2+]CC2=C(OC3=CC=C(F)C=C3)N=C3C=CC=CN32)CCCC1	REAL300018422901	0	50	0.0	-51.88	397.99	11.59	-40.29
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C(Br)S2)CCCC1	REAL300018422902	0	40	0.0	-38.80	342.16	8.24	-30.56
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CC=C3F)S2)CCCC1	REAL300018422903	0	42	0.0	-45.84	348.53	9.73	-36.11
CN1C=C(C2=NC(C[NH2+]CC3(C(=O)[O-])CCCC3)=CS2)C=N1	REAL300018422904	0	42	0.0	-49.23	348.50	7.05	-42.18
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422905	0	53	0.0	-37.44	404.61	11.98	-25.46
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CC2)CCCC1	REAL300018422906	0	47	0.0	-37.26	377.39	10.85	-26.41
COC1=CC(C[NH2+]CC2(C(=O)[O-])CCCC2)=CC(OC)=C1OCC(F)F	REAL300018422907	0	51	0.0	-52.66	405.76	8.83	-43.83
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OC2=CC=C(F)C=C2Cl)CCCC1	REAL300018422908	0	47	0.0	-34.69	388.16	11.89	-22.80
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=C2N2CCOCC2)CCCC1	REAL300018422909	0	49	0.0	-38.94	384.85	8.67	-30.27
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(OCC2=CC=CN=C2)=C1	REAL300018422910	0	53	0.0	-38.58	413.21	9.33	-29.25
O=C([O-])C1(C[NH2+]CC2=CC=NC3=C(Br)C=CC=C23)CCCC1	REAL300018422911	0	41	0.0	-50.06	335.88	9.47	-40.59
CC1=CC(C[NH2+]CC2(C(=O)[O-])CCCC2)=NC=C1Br	REAL300018422912	0	38	0.0	-46.23	313.80	7.83	-38.40
O=C([O-])C1(C[NH2+]CC2=C(C3=CC=CC=C3)N(C3CCCC3)N=C2)CCCC1	REAL300018422913	0	56	0.0	-40.56	422.57	12.43	-28.13
O=C([O-])C1(C[NH2+]C(CCC2=CC=CC=C2)CCC2=CC=CC=C2)CCCC1	REAL300018422914	0	58	0.0	-40.58	429.44	14.94	-25.64
O=C([O-])C1(C[NH2+]CC2=NC=C(Br)C=C2F)CCCC1	REAL300018422915	0	35	0.0	-39.42	300.65	7.26	-32.16
CC1=CC(Br)=CN2C(C[NH2+]CC3(C(=O)[O-])CCCC3)=CN=C12	REAL300018422916	0	42	0.0	-45.17	348.56	10.11	-35.06
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCCC3)S2)CCCC1	REAL300018422917	0	45	0.0	-41.86	350.89	9.11	-32.75
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=C(F)C=CC=C3F)S2)CCCC1	REAL300018422918	0	42	0.0	-46.73	352.18	9.72	-37.01
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCCCC3)S2)CCCC1	REAL300018422919	0	48	0.0	-41.78	369.59	9.69	-32.09
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CS3)S2)CCCC1	REAL300018422920	0	39	0.0	-44.76	335.89	8.56	-36.20
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CC(Cl)=C3)S2)CCCC1	REAL300018422921	0	42	0.0	-46.55	360.74	9.92	-36.63
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CSC=C3)S2)CCCC1	REAL300018422922	0	39	0.0	-45.66	335.15	8.35	-37.31
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CCCC3)S2)C=C1C	REAL300018422923	0	48	0.0	-44.39	382.38	10.70	-33.69
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CCCC3)S2)O1	REAL300018422924	0	42	0.0	-48.72	348.70	8.30	-40.42
CC1=CC(C[NH2+]CC2(C(=O)[O-])CCCC2)=C(Br)C=C1F	REAL300018422925	0	39	0.0	-46.25	320.59	9.71	-36.54
CC1=CC(Br)=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422926	0	39	0.0	-41.84	315.13	9.71	-32.13
O=C([O-])C1(C[NH2+]C2CCCC2CC2=CC=CC=C2[N+](=O)[O-])CCCC1	REAL300018422927	0	51	0.0	-48.98	375.60	12.33	-36.65
O=C([O-])C1(C[NH2+]C2CCCC2CC2=CC=C(Cl)C=C2)CCCC1	REAL300018422928	0	49	0.0	-40.32	374.61	11.98	-28.34
O=C([O-])C1(C[NH2+]CC2=CN=C(CCC3=CC=CC=C3)S2)CCCC1	REAL300018422929	0	48	0.0	-45.40	388.57	10.90	-34.50
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Br)=C2)CCCC1	REAL300018422930	0	40	0.0	-47.06	345.41	8.93	-38.13
O=C([O-])C1(C[NH2+]CC2=CN(CC(F)(F)F)N=C2)CCCC1	REAL300018422931	0	39	0.0	-50.63	321.21	7.64	-42.99
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CC=C2F)CCCC1	REAL300018422932	0	43	0.0	-47.25	341.83	8.42	-38.83
O=C([O-])C1(C[NH2+]CC2=NC3=CC(Br)=CC=C3O2)CCCC1	REAL300018422933	0	38	0.0	-43.92	322.60	6.08	-37.84
O=C([O-])C1(C[NH2+]CCCC2=C(Cl)C=CC=C2Cl)CCCC1	REAL300018422934	0	42	0.0	-39.36	350.11	10.88	-28.48
COCCOC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422935	0	47	0.0	-35.55	362.62	8.03	-27.52
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C=C2Br)CCCC1	REAL300018422936	0	36	0.0	-36.34	312.01	9.53	-26.81
O=C([O-])C1(C[NH2+]C2CCN(C3=NC=CS3)CC2)CCCC1	REAL300018422937	0	44	0.0	-46.07	335.23	6.83	-39.24
CC1=CC(OCCCC(C)[NH2+]CC2(C(=O)[O-])CCCC2)=CC=C1Cl	REAL300018422938	0	52	0.0	-42.20	401.86	11.20	-31.00
O=C([O-])C1(C[NH2+]C(CC2=CC=CC=C2F)CC2=CC=CC=C2F)CCCC1	REAL300018422939	0	52	0.0	-41.11	402.12	13.46	-27.65
CC1=C(Br)C=NC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422940	0	38	0.0	-46.31	306.90	7.79	-38.52
O=C([O-])C1(C[NH2+]C2CCN(CC3CCCO3)CC2)CCCC1	REAL300018422941	0	52	0.0	-42.18	369.83	6.31	-35.87
CC1=CSC(N2CCC([NH2+]CC3(C(=O)[O-])CCCC3)CC2)=N1	REAL300018422942	0	47	0.0	-46.25	357.02	7.43	-38.82
O=C([O-])C1(C[NH2+]CC2=CN3C=CC(Br)=CC3=N2)CCCC1	REAL300018422943	0	39	0.0	-50.38	327.28	9.60	-40.78
C#CCOC1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422944	0	42	0.0	-36.32	348.86	9.72	-26.60
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=C(F)C=CC=C2F)CCCC1	REAL300018422945	0	43	0.0	-42.16	347.00	8.39	-33.77
COC1=CC=C(CN2C=C(C[NH2+]CC3(C(=O)[O-])CCCC3)N=N2)C=C1	REAL300018422946	0	49	0.0	-56.87	386.66	8.12	-48.75
CN1C=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(C2=CC=C(F)C=C2)=N1	REAL300018422947	0	46	0.0	-50.39	364.75	9.69	-40.70
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422948	0	46	0.0	-48.81	361.81	10.43	-38.38
CN1C=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(C2=CC=CS2)=N1	REAL300018422949	0	43	0.0	-38.23	344.29	8.88	-29.35
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2OC2CCCC2)CCCC1	REAL300018422950	0	50	0.0	-36.90	388.92	11.24	-25.66
COC1=CC(Br)=C(C[NH2+]CC2(C(=O)[O-])CCCC2)C(OC)=C1	REAL300018422951	0	44	0.0	-36.39	354.70	7.62	-28.77
O=C([O-])C1(C[NH2+]C2CCN(C3=CC=C([N+](=O)[O-])N=C3)CC2)CCCC1	REAL300018422952	0	49	0.0	-53.10	370.92	8.55	-44.55
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2N2CCCC2)CCCC1	REAL300018422953	0	48	0.0	-34.00	362.67	9.26	-24.74
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2OC2=CC=CC=C2)CCCC1	REAL300018422954	0	47	0.0	-34.93	382.09	11.82	-23.11
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2OCC2CCCO2)CCCC1	REAL300018422955	0	51	0.0	-36.94	402.79	9.73	-27.21
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422956	0	49	0.0	-45.81	379.63	10.89	-34.92
CC1=NN(C2=CC=C(Br)C=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422957	0	46	0.0	-45.84	379.52	10.84	-35.00
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422958	0	55	0.0	-43.00	404.01	12.05	-30.95
CC1=CC=C(C2=NN(C)C=C2C[NH2+]CC2(C(=O)[O-])CCCC2)O1	REAL300018422959	0	46	0.0	-41.59	362.37	8.87	-32.72
CC1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422960	0	50	0.0	-39.85	408.27	12.53	-27.32
CC1=CC=C(N2C=C(C[NH2+]CC3(C(=O)[O-])CCCC3)C(C(C)(C)C)=N2)C=C1	REAL300018422961	0	58	0.0	-42.85	425.41	12.72	-30.13
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCCCC3)C(Br)=C2)CCCC1	REAL300018422962	0	51	0.0	-41.32	396.53	10.93	-30.39
O=C([O-])C1(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C(Cl)=C2)CCCC1	REAL300018422963	0	56	0.0	-48.88	435.06	7.87	-41.01
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC=C2OC2=CC=CC(Cl)=C2)CCCC1	REAL300018422964	0	47	0.0	-37.18	389.54	11.92	-25.26
CC(CCC1=CC=C(Cl)S1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422965	0	42	0.0	-43.99	343.72	10.24	-33.75
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CN=C3)S2)CCCC1	REAL300018422966	0	41	0.0	-46.15	339.02	7.71	-38.44
CC(CC1=CC=CC=C1C(F)(F)F)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422967	0	45	0.0	-33.62	341.98	10.42	-23.20
O=C([O-])C1(C[NH2+]CC2=CC(Br)=C([N+](=O)[O-])S2)CCCC1	REAL300018422968	0	35	0.0	-55.23	316.58	8.82	-46.41
COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]CC2(C(=O)[O-])CCCC2)=C1	REAL300018422969	0	59	0.0	-50.29	447.73	10.93	-39.36
CCC(CC1=CC=C(Cl)C=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422970	0	45	0.0	-37.18	331.01	10.50	-26.68
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC=C2OC2=CN=CC(Cl)=C2)CCCC1	REAL300018422971	0	46	0.0	-40.15	385.30	10.18	-29.97
COC1=CC=C(C(C)C(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422972	0	49	0.0	-45.41	358.63	9.28	-36.13
O=C([O-])C1(C[NH2+]C2CCCC(C3=CC=CN=C3)C2)CCCC1	REAL300018422973	0	48	0.0	-44.23	342.77	9.64	-34.59
CC(CCC1=CN=CC2=CC=CC=C21)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422974	0	50	0.0	-46.80	374.35	10.89	-35.91
COC1=CC=C(CC(C)C[NH2+]CC2(C(=O)[O-])CCCC2)C=C1F	REAL300018422975	0	49	0.0	-49.43	371.13	9.82	-39.61
CC1=C(C)C=C2OC(C[NH2+]CC3(C(=O)[O-])CCCC3)=CC2=C1	REAL300018422976	0	45	0.0	-46.83	345.18	10.20	-36.63
CC1=CC=C2NC3=C(CC([NH2+]CC4(C(=O)[O-])CCCC4)CC3)C2=C1	REAL300018422977	0	50	0.0	-42.80	369.87	10.54	-32.26
O=C([O-])C1(C[NH2+]C(C2=NN=CN2)C2CCCCC2)CCCC1	REAL300018422978	0	48	0.0	-35.83	344.39	9.16	-26.67
O=C([O-])C1(C[NH2+]C(C2=NC=NN2)C2CCCCC2)CCCC1	REAL300018422978	1	48	0.0	-34.53	350.55	8.49	-26.04
COC1=CC=C2NC3=C(CC([NH2+]CC4(C(=O)[O-])CCCC4)CC3)C2=C1	REAL300018422979	0	51	0.0	-44.66	378.12	9.18	-35.48
CCC1=C2OC(C[NH2+]CC3(C(=O)[O-])CCCC3)=CC2=CC=C1	REAL300018422980	0	45	0.0	-46.60	349.77	10.43	-36.17
CC(C[NH2+]CC1(C(=O)[O-])CCCC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300018422981	0	48	0.0	-52.35	375.34	7.21	-45.14
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422982	0	50	0.0	-35.14	403.24	12.56	-22.58
COCC1=C(C)C=C(C)C(C[NH2+]CC2(C(=O)[O-])CCCC2)=C1C	REAL300018422983	0	52	0.0	-39.96	381.35	9.65	-30.31
O=C([O-])C1(C[NH2+]CC2=NC3=CC=C(Br)C=C3S2)CCCC1	REAL300018422984	0	38	0.0	-40.69	331.95	8.53	-32.16
O=C([O-])C1(C[NH2+]CC2=CN(CC3CCCO3)N=N2)CCCC1	REAL300018422985	0	46	0.0	-52.79	354.00	6.06	-46.73
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)CCCC1	REAL300018422986	0	42	0.0	-54.65	355.43	9.06	-45.59
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=CC=C3Br)N=N2)CCCC1	REAL300018422987	0	42	0.0	-56.48	348.01	8.96	-47.52
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3Cl)N=N2)CCCC1	REAL300018422988	0	42	0.0	-54.22	365.75	9.51	-44.71
CC([NH2+]CC1(C(=O)[O-])CCCC1)C(C)C1=CC=C(Cl)C=C1	REAL300018422989	0	45	0.0	-40.31	345.94	10.60	-29.71
CC(C)CC1=CC=C(C(C)C(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1	REAL300018422990	0	57	0.0	-41.85	410.30	12.66	-29.19
COC1=CC=C(C(C)C(C)[NH2+]CC2(C(=O)[O-])CCCC2)C=C1OC	REAL300018422991	0	53	0.0	-48.92	387.81	9.18	-39.74
CC1=CC(C)=C(C=CC[NH2+]CC2(C(=O)[O-])CCCC2)C=C1C	REAL300018422992	0	49	0.0	-41.06	365.91	11.49	-29.57
CC(=CC1=CC=CC([N+](=O)[O-])=C1)C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422993	0	45	0.0	-48.11	354.95	10.91	-37.20
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422994	0	47	0.0	-43.71	365.63	9.87	-33.84
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422995	0	46	0.0	-38.84	360.72	11.09	-27.75
COCC1=CC=CC=C1C=C(C)C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422996	0	50	0.0	-42.78	377.51	10.07	-32.71
CC(CC1=CC=C2CCCCC2=C1)[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422997	0	52	0.0	-43.14	376.16	12.24	-30.90
CN1N=C(Br)C=C1C[NH2+]CC1(C(=O)[O-])CCCC1	REAL300018422998	0	36	0.0	-46.05	301.42	6.58	-39.47
O=C([O-])C1(C[NH2+]CC2=CC=C(CC(F)(F)F)C=C2)CCCC1	REAL300018422999	0	42	0.0	-43.52	339.96	10.25	-33.27
O=C([O-])C1(C[NH2+]CC2=C(C3CC3)N=C3SC=CN32)CCCC1	REAL300018423000	0	43	0.0	-48.95	347.68	10.30	-38.65
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018426315	0	39	0.0	-31.55	339.54	10.62	-20.93
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426317	0	45	0.0	-31.07	358.53	10.94	-20.13
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC(C)(C)C1	REAL300018426318	0	51	0.0	-32.00	383.12	11.21	-20.79
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426319	0	49	0.0	-33.46	402.89	12.11	-21.35
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426320	0	43	0.0	-34.15	381.51	12.56	-21.59
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426321	0	39	0.0	-30.04	350.21	11.45	-18.59
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426322	0	46	0.0	-32.30	382.07	10.76	-21.54
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1F	REAL300018426323	0	39	0.0	-33.62	339.54	10.61	-23.01
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426324	0	40	0.0	-32.01	345.48	9.95	-22.06
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426325	1	35	0.0	-43.36	332.87	9.71	-33.65
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426326	0	45	0.0	-32.05	346.89	10.27	-21.78
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426327	0	48	0.0	-31.33	395.28	12.63	-18.70
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=C2)C=C1	REAL300018426328	0	49	0.0	-33.13	407.81	13.97	-19.16
CC1=CC(C)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426329	0	42	0.0	-31.14	356.96	11.27	-19.87
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1[N+](=O)[O-]	REAL300018426330	0	42	0.0	-39.12	368.34	10.65	-28.47
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426331	0	36	0.0	-32.97	346.29	10.92	-22.05
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426332	0	49	0.0	-31.44	408.26	13.97	-17.47
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426333	0	40	0.0	-33.89	352.08	9.49	-24.40
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1OCC	REAL300018426334	0	50	0.0	-35.63	415.28	10.95	-24.68
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426336	0	48	0.0	-28.64	362.35	11.24	-17.40
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426337	0	34	0.0	-35.71	303.75	7.95	-27.76
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426338	0	39	0.0	-35.70	352.43	9.01	-26.69
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426339	0	41	0.0	-34.67	347.47	10.12	-24.55
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426340	0	40	0.0	-32.14	358.82	9.71	-22.43
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426341	0	42	0.0	-40.69	373.49	7.43	-33.26
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426342	0	39	0.0	-30.76	315.09	9.31	-21.45
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426343	0	49	0.0	-32.55	405.04	11.33	-21.22
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426344	0	43	0.0	-34.34	373.76	12.20	-22.14
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426345	0	37	0.0	-32.30	304.04	6.92	-25.38
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426346	0	47	0.0	-30.70	366.87	11.01	-19.69
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426347	0	44	0.0	-30.65	336.47	10.11	-20.54
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426348	0	39	0.0	-31.98	347.71	10.63	-21.35
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426349	0	38	0.0	-31.64	321.12	7.77	-23.87
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426351	0	41	0.0	-34.07	350.03	9.79	-24.28
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426352	0	33	0.0	-33.73	324.48	9.59	-24.14
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426353	0	47	0.0	-32.82	386.75	9.82	-23.00
O=C([O-])C([NH2+]CC1=CN=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426354	0	32	0.0	-32.66	297.58	7.16	-25.50
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426355	0	40	0.0	-30.77	345.29	9.96	-20.81
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426356	0	36	0.0	-36.23	312.98	9.05	-27.18
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426357	0	40	0.0	-34.38	345.51	9.96	-24.42
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426358	0	39	0.0	-33.00	336.68	8.10	-24.90
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426359	0	39	0.0	-31.00	337.85	10.35	-20.65
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426360	0	39	0.0	-40.17	352.39	9.00	-31.17
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CC=C2O1	REAL300018426361	0	50	0.0	-32.10	402.83	11.71	-20.39
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426362	0	51	0.0	-31.12	387.73	12.84	-18.28
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426363	0	45	0.0	-33.77	381.42	11.53	-22.24
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426364	0	45	0.0	-35.50	383.56	11.60	-23.90
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426366	0	46	0.0	-36.60	372.01	7.70	-28.90
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426367	0	50	0.0	-32.66	399.93	8.43	-24.23
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426368	0	43	0.0	-34.98	378.07	11.19	-23.79
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426369	0	45	0.0	-32.28	376.91	9.76	-22.52
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426370	0	36	0.0	-32.40	312.61	7.46	-24.94
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426371	0	46	0.0	-36.29	381.84	9.79	-26.50
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426373	0	47	0.0	-32.26	397.18	9.38	-22.88
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300018426374	0	40	0.0	-36.61	358.35	9.76	-26.85
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426376	0	39	0.0	-34.62	338.65	6.67	-27.95
O=C([O-])C([NH2+]CC1=CC=C(Br)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426377	0	35	0.0	-35.74	328.48	8.65	-27.09
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426378	0	41	0.0	-34.26	346.85	10.11	-24.15
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426379	0	35	0.0	-32.25	318.90	7.84	-24.41
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426380	0	42	0.0	-29.03	355.66	9.13	-19.90
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426381	0	45	0.0	-36.28	372.64	9.93	-26.35
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426382	0	43	0.0	-34.16	367.73	11.96	-22.20
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426383	0	43	0.0	-34.16	366.98	11.93	-22.23
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426384	0	44	0.0	-36.90	381.99	11.20	-25.70
O=C([O-])C([NH2+]CC1=CN=C(N2CCOCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426385	0	47	0.0	-37.18	390.97	8.29	-28.89
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426386	0	46	0.0	-30.80	386.97	10.97	-19.83
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426387	0	38	0.0	-43.93	317.67	9.83	-34.10
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426388	0	45	0.0	-33.67	391.46	11.46	-22.21
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426389	0	43	0.0	-32.64	378.25	12.47	-20.17
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C=NC2=NN1	REAL300018426390	0	41	0.0	-40.56	357.21	8.46	-32.10
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426391	0	37	0.0	-35.67	325.59	7.92	-27.75
O=C([O-])C([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426392	0	50	0.0	-30.45	406.91	12.11	-18.34
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426393	0	38	0.0	-32.65	342.31	8.65	-24.00
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426394	0	39	0.0	-37.30	340.98	10.38	-26.92
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426395	0	40	0.0	-33.37	355.73	8.86	-24.51
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426396	0	46	0.0	-32.42	383.39	10.79	-21.63
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426400	0	45	0.0	-34.62	377.43	12.11	-22.51
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426401	0	48	0.0	-33.40	387.62	12.62	-20.78
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426402	0	48	0.0	-33.41	388.30	12.66	-20.75
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426403	0	39	0.0	-32.96	323.38	9.42	-23.54
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426404	0	51	0.0	-34.05	409.54	10.66	-23.39
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426405	1	48	0.0	-54.46	380.27	10.38	-44.08
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426408	0	40	0.0	-39.26	350.19	8.35	-30.91
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426409	0	39	0.0	-37.85	357.84	10.95	-26.90
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426411	1	50	0.0	-50.01	386.16	10.21	-39.80
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C(C)S1	REAL300018426412	0	39	0.0	-30.20	341.29	10.40	-19.80
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCCC1	REAL300018426413	0	42	0.0	-30.25	328.60	9.91	-20.34
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426414	0	42	0.0	-35.59	369.96	10.69	-24.90
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426415	0	50	0.0	-34.01	399.76	8.68	-25.33
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426416	0	50	0.0	-53.27	381.48	9.75	-43.52
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1SC	REAL300018426417	0	44	0.0	-35.55	381.73	10.26	-25.29
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1OC	REAL300018426418	0	50	0.0	-30.81	417.73	10.15	-20.66
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426419	0	43	0.0	-35.72	373.54	9.87	-25.85
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426420	0	42	0.0	-30.83	327.30	9.89	-20.94
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426422	0	39	0.0	-27.02	323.99	7.63	-19.39
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426423	0	48	0.0	-28.52	369.51	12.09	-16.43
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2)N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426424	1	42	0.0	-41.77	365.11	9.71	-32.06
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300018426426	0	44	0.0	-36.74	393.11	11.27	-25.47
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426427	0	42	0.0	-32.43	377.85	10.94	-21.49
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426428	0	42	0.0	-30.19	335.21	9.84	-20.35
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C2OC(C)CC2=C1	REAL300018426429	0	48	0.0	-33.89	400.57	9.81	-24.08
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C2=CC=CC=C21	REAL300018426430	0	42	0.0	-30.00	364.07	9.86	-20.14
CN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426431	1	36	0.0	-35.49	316.99	7.65	-27.84
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426432	0	39	0.0	-35.19	339.71	8.53	-26.66
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018426433	0	44	0.0	-32.88	373.10	9.43	-23.45
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426434	1	39	0.0	-39.47	349.41	9.37	-30.10
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426435	1	57	0.0	-50.37	419.77	11.71	-38.66
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CC=C2O1	REAL300018426436	0	47	0.0	-34.44	391.56	11.19	-23.25
CC1=NSC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426437	0	35	0.0	-36.31	320.67	8.35	-27.96
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426440	0	39	0.0	-30.24	338.73	10.18	-20.06
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426442	0	38	0.0	-32.74	320.54	8.56	-24.18
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426443	0	45	0.0	-29.58	370.35	10.68	-18.90
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018426444	0	44	0.0	-31.75	370.80	8.95	-22.80
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426446	0	42	0.0	-26.84	344.27	8.39	-18.45
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426447	0	49	0.0	-33.20	407.10	11.67	-21.53
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426448	0	47	0.0	-35.65	397.80	9.41	-26.24
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426449	0	45	0.0	-25.71	355.37	8.61	-17.10
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426450	0	37	0.0	-34.95	304.17	6.95	-28.00
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426451	0	48	0.0	-32.77	369.13	11.15	-21.62
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426452	0	47	0.0	-30.00	378.51	10.88	-19.12
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426453	0	43	0.0	-30.92	358.34	11.82	-19.10
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426454	0	45	0.0	-33.51	359.04	11.40	-22.11
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426455	0	45	0.0	-28.87	365.59	11.85	-17.02
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)OCO2	REAL300018426456	0	43	0.0	-34.26	368.30	7.96	-26.30
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SC=C1	REAL300018426457	0	37	0.0	-28.67	334.25	8.35	-20.32
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426458	0	49	0.0	-30.23	405.16	11.61	-18.62
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426459	0	42	0.0	-32.68	360.67	12.11	-20.57
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426460	0	43	0.0	-34.82	347.58	8.49	-26.33
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426461	0	40	0.0	-35.73	332.78	9.92	-25.81
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426462	0	45	0.0	-31.28	345.74	10.62	-20.66
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=C2O1	REAL300018426463	0	47	0.0	-33.45	390.08	11.14	-22.31
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=C(C(F)(F)F)C=C1	REAL300018426465	1	35	0.0	-27.42	324.96	8.75	-18.67
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=C(C(F)(F)F)C=C1	REAL300018426466	0	35	0.0	-28.08	321.35	8.64	-19.44
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=NN1C	REAL300018426467	1	39	0.0	-34.61	335.18	8.09	-26.52
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426468	0	42	0.0	-28.34	358.86	12.04	-16.30
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426469	0	40	0.0	-35.28	345.78	8.50	-26.78
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426470	0	43	0.0	-40.40	372.50	11.14	-29.26
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426472	0	39	0.0	-33.97	330.92	10.08	-23.89
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N1C	REAL300018426473	0	39	0.0	-36.27	333.77	8.90	-27.37
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426474	0	41	0.0	-35.88	355.12	10.42	-25.46
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426475	0	40	0.0	-33.22	340.12	9.51	-23.71
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426476	0	44	0.0	-45.67	367.76	5.76	-39.91
O=C([O-])C([NH2+]CC1=CC=C(F)C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426477	0	35	0.0	-37.12	315.50	8.19	-28.93
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SC=N1	REAL300018426478	0	35	0.0	-31.41	317.66	7.68	-23.73
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426479	0	40	0.0	-34.02	350.06	9.31	-24.71
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426480	0	40	0.0	-29.66	331.75	8.21	-21.45
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426481	0	46	0.0	-35.31	385.77	9.90	-25.41
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=CO1	REAL300018426483	0	36	0.0	-32.70	313.99	8.73	-23.97
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(Cl)=C1	REAL300018426484	0	39	0.0	-25.71	346.31	10.99	-14.72
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426485	0	38	0.0	-39.90	352.86	10.93	-28.97
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426486	0	39	0.0	-36.15	352.38	11.23	-24.92
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=C(C(F)(F)F)C=C1	REAL300018426488	0	41	0.0	-32.60	370.62	10.98	-21.62
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=C(C(F)(F)F)C=C1	REAL300018426489	0	41	0.0	-30.16	367.89	10.88	-19.28
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426490	0	41	0.0	-46.77	366.36	8.54	-38.23
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(C(F)(F)F)C=C1	REAL300018426491	1	38	0.0	-31.70	352.88	11.06	-20.64
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300018426492	0	43	0.0	-31.66	344.07	8.45	-23.21
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CCO1	REAL300018426493	0	46	0.0	-32.12	363.15	9.06	-23.06
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426494	0	46	0.0	-30.97	375.52	12.40	-18.57
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426495	0	55	0.0	-28.38	402.08	13.06	-15.32
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426496	0	50	0.0	-32.00	384.76	11.29	-20.71
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426497	0	39	0.0	-30.81	318.98	9.83	-20.98
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426498	0	45	0.0	-34.33	371.56	11.92	-22.41
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1C(C)(C)C	REAL300018426499	0	52	0.0	-32.33	413.49	11.89	-20.44
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426501	0	49	0.0	-30.41	393.22	11.05	-19.36
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCCCC1	REAL300018426502	0	48	0.0	-31.51	370.00	11.37	-20.14
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426503	0	41	0.0	-40.84	368.38	4.90	-35.94
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426505	0	43	0.0	-34.07	364.13	11.85	-22.22
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018426507	0	46	0.0	-31.16	375.28	10.63	-20.53
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426508	0	43	0.0	-31.40	362.40	9.93	-21.47
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426509	0	38	0.0	-32.04	355.72	9.05	-22.99
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426510	0	46	0.0	-34.70	379.45	12.35	-22.35
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426512	0	40	0.0	-32.94	359.65	8.78	-24.16
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426513	0	42	0.0	-31.33	367.29	11.35	-19.98
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018426514	0	38	0.0	-35.01	330.53	8.76	-26.25
O=C([O-])C([NH2+]CC1=CC=NS1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426515	0	32	0.0	-31.77	297.62	7.74	-24.03
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018426517	0	41	0.0	-41.03	348.07	10.95	-30.08
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1Cl	REAL300018426518	0	40	0.0	-35.26	359.67	9.79	-25.47
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CS1	REAL300018426519	0	36	0.0	-31.00	325.98	9.69	-21.31
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426520	0	39	0.0	-34.85	340.16	10.24	-24.61
O=C([O-])C([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426521	1	43	0.0	-36.88	371.08	11.00	-25.88
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426522	0	35	0.0	-36.31	340.19	8.35	-27.96
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426523	0	37	0.0	-30.89	315.46	9.09	-21.80
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426524	0	42	0.0	-35.00	358.05	9.06	-25.94
O=C([O-])C([NH2+]CC1=NN2CCCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426525	1	43	0.0	-34.18	356.80	9.21	-24.97
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426526	0	42	0.0	-31.03	355.71	11.34	-19.69
COC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426527	0	36	0.0	-34.36	331.63	5.56	-28.80
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426528	0	40	0.0	-35.17	351.64	11.46	-23.71
CC1=NC=CN=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426529	0	37	0.0	-28.68	317.99	6.65	-22.03
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426530	0	43	0.0	-31.82	343.68	10.61	-21.21
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426531	0	41	0.0	-35.42	351.62	7.24	-28.18
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426532	0	39	0.0	-34.28	357.70	10.88	-23.40
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426533	0	43	0.0	-32.24	328.49	10.03	-22.21
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CN=C12	REAL300018426534	0	42	0.0	-36.95	362.43	10.97	-25.98
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN=C1Cl	REAL300018426536	0	36	0.0	-33.31	330.46	8.83	-24.48
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN=C1Br	REAL300018426537	0	36	0.0	-33.12	334.75	8.84	-24.28
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426538	1	42	0.0	-42.81	371.51	9.77	-33.04
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426539	0	36	0.0	-37.36	333.88	7.25	-30.11
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426541	0	40	0.0	-33.59	352.54	9.96	-23.63
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426542	0	40	0.0	-34.76	352.44	9.96	-24.80
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426543	0	42	0.0	-36.31	363.17	7.53	-28.78
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426544	0	39	0.0	-30.04	342.98	10.99	-19.05
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426545	0	38	0.0	-32.92	346.27	9.69	-23.23
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)N21	REAL300018426546	0	42	0.0	-35.18	351.49	10.75	-24.43
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426547	0	48	0.0	-36.46	393.83	10.58	-25.88
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426548	0	48	0.0	-30.28	388.41	11.92	-18.36
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426549	0	45	0.0	-31.28	362.11	11.05	-20.23
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426550	0	39	0.0	-33.91	352.28	11.11	-22.80
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426551	0	43	0.0	-33.06	367.89	9.64	-23.42
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426552	0	48	0.0	-27.50	367.64	8.88	-18.62
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426553	0	41	0.0	-42.45	360.23	10.35	-32.10
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC2=CC=CN=C12	REAL300018426554	0	44	0.0	-36.91	374.07	11.11	-25.80
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426555	0	48	0.0	-29.54	368.54	11.01	-18.53
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1C	REAL300018426557	0	49	0.0	-33.03	407.07	11.71	-21.32
COC1=C(C)C=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018426558	0	45	0.0	-27.61	372.53	8.62	-18.99
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426559	0	46	0.0	-33.74	387.97	11.58	-22.16
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426560	0	45	0.0	-31.60	350.06	10.50	-21.10
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018426561	0	39	0.0	-38.06	367.24	6.63	-31.43
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426562	0	38	0.0	-31.47	327.33	8.14	-23.33
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426563	0	39	0.0	-36.21	346.99	10.85	-25.36
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426564	0	38	0.0	-40.19	351.62	7.86	-32.33
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426565	0	43	0.0	-29.88	356.40	11.71	-18.17
COC1=NSC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426567	0	36	0.0	-34.49	329.51	5.80	-28.69
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CC=C(C(F)(F)F)C=C1	REAL300018426568	0	41	0.0	-33.86	349.93	10.16	-23.70
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=NN1C	REAL300018426569	0	39	0.0	-31.92	334.66	8.16	-23.76
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018426570	0	50	0.0	-36.13	412.09	10.97	-25.16
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426571	0	47	0.0	-35.42	385.31	12.39	-23.03
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426572	0	43	0.0	-27.44	317.26	10.81	-16.63
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC(C2=CC=CC=C2)C1	REAL300018426573	0	52	0.0	-33.97	410.33	13.35	-20.62
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426575	0	45	0.0	-31.91	355.04	10.45	-21.46
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC2=CC=CC=C21	REAL300018426577	0	46	0.0	-34.27	387.30	11.52	-22.75
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426578	0	42	0.0	-34.45	359.11	8.32	-26.13
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426579	0	43	0.0	-33.62	371.92	10.24	-23.38
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426580	0	46	0.0	-36.32	378.32	10.49	-25.83
CN1N=C(C2CC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426581	0	43	0.0	-34.86	366.47	9.60	-25.26
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426582	1	45	0.0	-50.50	354.32	9.26	-41.24
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426582	1	45	0.0	-50.81	354.35	9.76	-41.05
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426583	0	52	0.0	-32.12	380.82	11.77	-20.35
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C(C)C1=CC=CC=C1	REAL300018426584	0	45	0.0	-32.26	360.08	11.49	-20.77
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426585	0	44	0.0	-36.33	367.30	10.98	-25.35
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C=CC=C12	REAL300018426586	0	46	0.0	-32.94	380.07	11.35	-21.59
O=C([O-])C([NH2+]CC1=CC=NN1CC1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426587	0	43	0.0	-30.42	362.26	9.97	-20.45
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426588	0	44	0.0	-36.28	365.81	10.27	-26.01
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426589	0	45	0.0	-30.65	373.04	11.83	-18.82
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426592	0	47	0.0	-36.00	392.27	12.95	-23.05
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426593	0	50	0.0	-33.99	372.36	9.43	-24.56
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018426594	0	42	0.0	-32.60	351.80	8.00	-24.60
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=C(C(F)(F)F)C=C1	REAL300018426596	0	39	0.0	-39.66	355.78	11.19	-28.47
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426598	0	36	0.0	-31.56	343.68	10.22	-21.34
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)NC2=CC=C1	REAL300018426599	0	43	0.0	-33.97	366.96	10.53	-23.44
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426600	0	46	0.0	-35.60	367.21	9.27	-26.33
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426601	0	36	0.0	-36.07	343.44	10.06	-26.01
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018426602	0	49	0.0	-31.08	401.79	11.58	-19.50
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426604	0	40	0.0	-32.15	324.70	9.82	-22.33
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1OC1CC1	REAL300018426605	0	48	0.0	-36.51	403.93	10.81	-25.70
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426606	0	49	0.0	-29.98	370.40	11.40	-18.58
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426607	0	38	0.0	-35.49	342.24	8.99	-26.50
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426608	0	46	0.0	-31.11	363.27	11.85	-19.26
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426610	0	48	0.0	-32.07	361.11	10.66	-21.41
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426611	0	46	0.0	-35.63	363.82	11.89	-23.74
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C(F)F)=N1	REAL300018426612	0	39	0.0	-37.01	344.94	8.59	-28.42
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCCCCC1	REAL300018426613	0	48	0.0	-29.63	356.88	11.11	-18.52
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426614	0	51	0.0	-31.58	374.34	11.13	-20.45
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426615	0	44	0.0	-31.27	360.95	9.90	-21.37
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426616	0	43	0.0	-36.51	369.73	12.12	-24.39
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426617	0	45	0.0	-39.34	376.37	11.59	-27.75
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426618	0	41	0.0	-37.67	366.38	4.84	-32.83
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426619	0	42	0.0	-30.40	351.20	9.16	-21.24
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)NC2=C1	REAL300018426620	0	43	0.0	-33.87	367.40	10.55	-23.32
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426621	0	40	0.0	-36.57	340.60	8.55	-28.02
O=C([O-])C([NH2+]CC1=NN2CCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426622	1	40	0.0	-35.35	338.74	8.39	-26.96
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426624	0	52	0.0	-34.57	401.63	13.16	-21.41
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426625	0	45	0.0	-29.85	355.62	10.68	-19.17
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1N1C=NC=N1	REAL300018426627	0	45	0.0	-37.60	383.07	13.39	-24.21
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426628	0	45	0.0	-29.77	343.80	10.27	-19.50
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426629	0	48	0.0	-29.83	362.33	10.91	-18.92
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426630	0	48	0.0	-32.19	353.64	10.53	-21.66
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC1	REAL300018426631	0	54	0.0	-33.23	393.24	11.74	-21.49
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CCN1C	REAL300018426632	0	44	0.0	-30.93	337.58	7.00	-23.93
CC1CC(NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@@H+]1C	REAL300018426632	1	44	0.0	-48.30	337.15	8.16	-40.14
CC1CC(NC(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC[N@H+]1C	REAL300018426632	1	44	0.0	-50.51	337.27	8.19	-42.32
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C1CCCO1	REAL300018426634	0	40	0.0	-26.83	322.29	7.67	-19.16
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426635	0	43	0.0	-38.64	377.19	10.46	-28.18
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426636	0	43	0.0	-33.59	367.88	9.63	-23.96
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426638	0	42	0.0	-35.52	355.74	11.37	-24.15
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1OC	REAL300018426639	0	47	0.0	-33.13	384.26	9.64	-23.49
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426640	0	43	0.0	-28.59	355.23	11.88	-16.71
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426641	0	39	0.0	-40.97	346.17	10.79	-30.18
CC1=CC(C)=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426642	0	45	0.0	-35.49	377.15	12.01	-23.48
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426643	0	42	0.0	-32.10	361.00	10.98	-21.12
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426644	0	42	0.0	-34.87	369.01	8.15	-26.72
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426645	0	42	0.0	-40.85	352.11	8.99	-31.86
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CN=C21	REAL300018426646	0	41	0.0	-39.97	357.13	9.04	-30.93
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426647	0	45	0.0	-31.41	382.84	12.16	-19.25
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426648	0	50	0.0	-28.17	390.85	8.24	-19.93
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426649	0	42	0.0	-38.88	359.96	9.28	-29.60
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426652	0	35	0.0	-35.75	314.08	8.07	-27.68
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426653	0	47	0.0	-30.45	358.57	9.44	-21.01
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C2)CO1	REAL300018426654	0	47	0.0	-33.56	378.05	9.44	-24.12
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C2)CO1	REAL300018426655	0	44	0.0	-37.20	352.57	8.61	-28.59
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426656	0	44	0.0	-34.56	358.74	10.19	-24.37
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426657	0	43	0.0	-36.08	356.37	11.07	-25.01
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=C21	REAL300018426658	0	42	0.0	-34.79	350.71	11.09	-23.70
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426659	0	43	0.0	-32.30	356.51	9.79	-22.51
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426662	0	42	0.0	-29.29	347.55	11.23	-18.06
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426663	0	39	0.0	-34.59	340.64	10.65	-23.94
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C)=C1C	REAL300018426664	0	45	0.0	-28.97	358.68	11.51	-17.46
O=C([O-])C([NH2+]CC1=CN=C2CCCCCN12)C1=CC=C(C(F)(F)F)C=C1	REAL300018426665	0	46	0.0	-31.06	370.18	10.35	-20.71
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CC2=C1	REAL300018426666	0	43	0.0	-34.43	379.73	10.73	-23.70
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=CC=C21	REAL300018426668	0	48	0.0	-32.42	393.45	10.57	-21.85
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)CC2	REAL300018426669	0	53	0.0	-33.83	401.39	10.25	-23.58
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1Cl	REAL300018426670	0	40	0.0	-36.49	368.05	11.38	-25.11
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1C1CC1	REAL300018426671	0	46	0.0	-31.04	379.85	12.53	-18.51
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1)C2	REAL300018426672	0	50	0.0	-36.94	392.31	11.28	-25.66
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=N1	REAL300018426673	0	42	0.0	-33.19	363.08	7.58	-25.61
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1C1CC1	REAL300018426674	0	46	0.0	-31.49	381.17	12.56	-18.93
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426675	0	43	0.0	-32.02	349.09	10.85	-21.17
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C=C2C1C	REAL300018426678	0	47	0.0	-33.26	385.60	10.99	-22.27
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1OC(F)F	REAL300018426679	0	43	0.0	-31.06	373.47	10.27	-20.79
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426680	0	46	0.0	-33.54	382.01	9.25	-24.29
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)NN=C1C(F)(F)F	REAL300018426681	0	39	0.0	-35.26	349.91	7.83	-27.43
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426682	0	46	0.0	-32.17	356.75	10.95	-21.22
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1O	REAL300018426683	0	40	0.0	-31.76	343.92	7.81	-23.95
O=C([O-])C([NH2+]CC1=CN(CC2CC2)N=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426685	1	42	0.0	-42.52	363.68	8.84	-33.68
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426686	0	41	0.0	-32.08	350.00	9.79	-22.29
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426688	0	44	0.0	-32.38	365.92	9.97	-22.41
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426689	0	44	0.0	-37.20	378.43	9.79	-27.41
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426690	0	50	0.0	-32.08	412.64	11.80	-20.28
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426691	0	40	0.0	-30.36	352.41	10.90	-19.46
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426692	0	43	0.0	-36.03	367.70	11.96	-24.07
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)CC21	REAL300018426693	0	43	0.0	-29.00	338.44	10.41	-18.59
CCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426694	1	39	0.0	-35.35	338.52	8.51	-26.84
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426695	0	43	0.0	-32.02	379.32	12.19	-19.83
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426696	0	44	0.0	-33.26	374.68	10.92	-22.34
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426697	0	50	0.0	-31.30	407.78	13.94	-17.36
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426700	0	42	0.0	-28.69	363.82	11.94	-16.75
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426701	0	46	0.0	-34.17	392.00	11.00	-23.17
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426702	1	42	0.0	-34.68	358.10	9.21	-25.47
CC(C)N1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426703	1	42	0.0	-34.22	355.29	8.98	-25.24
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426704	0	47	0.0	-32.24	385.54	10.44	-21.80
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426705	1	39	0.0	-39.81	354.47	8.95	-30.86
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=N1	REAL300018426707	0	38	0.0	-35.30	330.68	8.73	-26.57
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426708	0	41	0.0	-35.20	355.30	10.37	-24.83
COC1=NC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CC=C1C	REAL300018426709	0	42	0.0	-36.36	361.42	7.33	-29.03
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426710	0	39	0.0	-30.91	352.71	10.87	-20.04
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426711	0	44	0.0	-30.95	358.93	9.88	-21.07
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426712	0	43	0.0	-28.95	380.85	10.73	-18.22
CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426714	0	45	0.0	-30.88	371.51	9.60	-21.28
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426715	0	49	0.0	-35.31	398.81	11.00	-24.31
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426716	0	46	0.0	-29.97	358.44	11.16	-18.81
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=CC=C1C(C)(C)C	REAL300018426717	0	52	0.0	-29.63	407.62	11.68	-17.95
CN1C=C(Br)N=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426718	1	36	0.0	-40.22	336.34	8.81	-31.41
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426719	0	42	0.0	-32.29	353.30	7.17	-25.12
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C2)=C1	REAL300018426721	0	47	0.0	-35.70	382.53	10.80	-24.90
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)C2)=N1	REAL300018426722	0	41	0.0	-39.25	348.53	7.25	-32.00
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426723	0	47	0.0	-34.67	370.79	9.48	-25.19
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426724	0	42	0.0	-33.27	352.42	10.83	-22.44
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426725	0	43	0.0	-37.70	369.93	9.87	-27.83
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426726	0	49	0.0	-30.92	403.91	13.43	-17.49
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018426727	0	49	0.0	-31.16	390.28	10.95	-20.21
CCC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=NN1CC	REAL300018426728	0	45	0.0	-29.79	371.84	9.82	-19.97
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C(F)(F)F)=CO1	REAL300018426729	0	39	0.0	-26.61	353.49	9.72	-16.89
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426730	0	42	0.0	-31.54	366.03	11.43	-20.11
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426731	0	42	0.0	-37.09	377.07	10.72	-26.37
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C(C)=C1	REAL300018426732	0	52	0.0	-34.58	415.50	11.81	-22.77
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426733	0	49	0.0	-30.09	366.42	11.44	-18.65
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)CC2=CC=CC=C21	REAL300018426734	0	49	0.0	-31.61	375.14	12.16	-19.45
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426735	0	43	0.0	-33.37	379.71	12.37	-21.00
O=C([O-])C([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=CC=C(C(F)(F)F)C=C1	REAL300018426736	0	42	0.0	-33.04	368.42	12.50	-20.54
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426737	0	44	0.0	-33.33	367.82	10.03	-23.30
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)SC2=CC(F)=CC=C12	REAL300018426738	0	42	0.0	-29.07	370.67	11.97	-17.10
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426739	0	42	0.0	-38.70	368.76	8.11	-30.59
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426740	0	39	0.0	-36.27	338.26	9.42	-26.85
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018426741	0	41	0.0	-34.86	352.02	9.52	-25.34
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1OCCO	REAL300018426742	0	48	0.0	-38.33	404.79	6.95	-31.38
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426743	0	41	0.0	-35.94	353.82	10.39	-25.55
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)=C2O1	REAL300018426744	0	42	0.0	-28.14	362.05	11.06	-17.08
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426745	0	39	0.0	-30.00	358.42	10.97	-19.03
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1F	REAL300018426746	0	46	0.0	-38.61	389.66	10.87	-27.74
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1	REAL300018426747	0	49	0.0	-33.96	402.29	11.02	-22.94
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=C(C(F)(F)F)C=C1	REAL300018426748	0	39	0.0	-34.53	342.89	8.68	-25.85
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426750	0	43	0.0	-35.52	379.38	11.22	-24.30
O=C([O-])C([NH2+]CC1=NN(C2CCC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426751	1	43	0.0	-34.39	358.30	9.46	-24.93
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426752	1	39	0.0	-36.99	351.52	8.80	-28.19
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426753	1	40	0.0	-39.35	360.04	9.38	-29.97
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426755	0	46	0.0	-33.09	347.58	10.71	-22.38
O=C([O-])C([NH2+]CC1=NN(C2CCCC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426756	1	46	0.0	-33.71	377.96	10.23	-23.48
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426757	0	39	0.0	-37.37	347.91	10.34	-27.03
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426758	0	39	0.0	-33.32	356.89	10.75	-22.57
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426759	0	40	0.0	-32.98	343.87	11.21	-21.77
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426762	0	52	0.0	-31.15	415.99	13.75	-17.40
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426763	0	46	0.0	-31.99	381.87	10.31	-21.68
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426764	0	44	0.0	-32.84	371.61	10.53	-22.31
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426765	0	44	0.0	-37.14	383.33	10.29	-26.85
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426766	0	43	0.0	-33.99	375.24	9.13	-24.86
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C1	REAL300018426767	0	50	0.0	-32.39	376.38	8.40	-23.99
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426768	0	49	0.0	-33.03	416.91	14.41	-18.62
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426769	0	45	0.0	-35.43	383.74	11.54	-23.89
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3=CC=C(C(F)(F)F)C=C3)CC2)C=C1	REAL300018426770	0	52	0.0	-30.13	404.48	13.66	-16.47
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426771	0	39	0.0	-33.39	340.80	10.73	-22.66
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426772	0	39	0.0	-33.45	349.75	11.29	-22.16
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426773	0	45	0.0	-35.70	382.21	11.58	-24.12
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426774	0	42	0.0	-40.85	352.11	8.99	-31.86
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426775	0	44	0.0	-32.12	350.20	11.10	-21.02
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1C(F)(F)F	REAL300018426776	0	42	0.0	-34.63	359.03	11.54	-23.09
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=N1	REAL300018426777	0	40	0.0	-36.50	349.97	9.14	-27.36
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426778	0	39	0.0	-39.17	339.07	8.62	-30.55
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=C1	REAL300018426779	0	48	0.0	-30.93	391.49	12.49	-18.44
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426780	0	47	0.0	-34.30	363.45	9.13	-25.17
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CC=C(C(F)(F)F)C=C1	REAL300018426781	0	46	0.0	-29.56	367.54	12.24	-17.32
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426782	0	43	0.0	-35.72	374.01	11.83	-23.89
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426783	0	42	0.0	-43.89	365.19	9.82	-34.07
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)C=CC2=CC=CC=C12	REAL300018426784	0	45	0.0	-31.85	371.09	12.68	-19.17
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426785	0	54	0.0	-30.93	439.31	11.58	-19.35
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426786	0	44	0.0	-32.84	375.69	9.43	-23.41
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426787	0	49	0.0	-33.45	401.75	6.95	-26.50
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=C1C	REAL300018426788	0	45	0.0	-31.12	377.16	9.76	-21.36
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(F)(F)F)C=C2)=CN=C1N1C=CC=N1	REAL300018426789	0	45	0.0	-37.78	385.71	11.26	-26.52
O=C([O-])C([NH2+]C1CCC1CC1=CC=CC=C1)C1=CC=C(C(F)(F)F)C=C1	REAL300018426790	0	46	0.0	-32.15	368.69	12.27	-19.88
CCCN1N=C(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018426791	0	45	0.0	-31.95	373.97	9.76	-22.19
CC1=CC(NC2CC[NH+](CC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300018426796	0	42	0.0	-36.32	329.12	7.56	-28.76
CC1=CC(NC2CC[NH+](CCCC(=O)[O-])CC2)=CC=C1OC(F)F	REAL300018426803	0	48	0.0	-61.05	372.07	8.91	-52.14
CC([NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1)C1=NN=NN1C	REAL300018426852	0	40	0.0	-76.79	314.88	5.00	-71.79
CC([NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1)C1=NN=NN1C	REAL300018426854	0	41	0.0	-54.66	321.25	6.86	-47.80
CC([NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2)C1=NN=NN1C	REAL300018426855	1	34	0.0	-93.66	316.02	5.84	-87.82
CC([NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1)C1=NN=NN1C	REAL300018426865	0	41	0.0	-58.03	346.79	7.19	-50.84
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C(=O)[O-])C=C1	REAL300018426867	0	52	0.0	-66.76	361.54	11.10	-55.66
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C(=O)[O-])C=C1	REAL300018426867	1	52	0.0	-72.19	360.47	9.59	-62.60
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018426868	0	59	0.0	-72.83	415.71	11.89	-60.94
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018426868	1	59	0.0	-54.14	416.65	13.53	-40.61
CC[NH+](CC)CC(CC)(CC)NCC1=CC(C(=O)[O-])=C(C)O1	REAL300018426869	0	52	0.0	-61.87	361.43	10.06	-51.81
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(C(=O)[O-])=C(C)O1	REAL300018426869	1	52	0.0	-57.41	361.54	9.98	-47.43
CC[NH+](CC)CC(CC)(CC)NCC1=CN(CC(=O)[O-])N=N1	REAL300018426870	0	51	0.0	-62.73	357.85	7.85	-54.88
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018426871	0	59	0.0	-70.29	420.31	12.94	-57.35
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018426871	1	59	0.0	-69.31	423.65	13.25	-56.06
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018426872	0	59	0.0	-70.29	420.31	12.94	-57.35
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018426872	1	59	0.0	-69.31	423.65	13.25	-56.06
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=CC(C(=O)[O-])=C1	REAL300018426873	0	52	0.0	-61.97	363.73	11.38	-50.59
CC[NH+](CC)CC(CC)(CC)NCC1=CC=CC(C(=O)[O-])=C1	REAL300018426873	1	52	0.0	-62.46	360.80	11.16	-51.30
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300018426874	0	62	0.0	-68.93	436.58	13.13	-55.80
CC[NH+](CC)CC(CC)(CC)NCC1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300018426874	1	62	0.0	-68.01	433.25	12.81	-55.20
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018426875	0	56	0.0	-65.32	394.40	11.62	-53.70
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018426875	1	56	0.0	-65.21	391.41	11.38	-53.83
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018426876	0	56	0.0	-65.32	394.40	11.62	-53.70
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(OCC(=O)[O-])C=C1	REAL300018426876	1	56	0.0	-65.21	391.41	11.38	-53.83
CC[NH+](CC)CC(CC)(CC)NCC1=CSC(C(=O)[O-])=C1	REAL300018426877	0	49	0.0	-64.37	350.88	10.15	-54.22
CCN(CC)CC(CC)(CC)[NH2+]CC1=CSC(C(=O)[O-])=C1	REAL300018426877	1	49	0.0	-57.77	352.08	10.14	-47.63
CC[NH+](CC)CC(CC)(CC)NCC1=CC=CC(C(=O)[O-])=N1	REAL300018426878	0	51	0.0	-65.03	356.64	9.34	-55.69
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=CC(C(=O)[O-])=N1	REAL300018426878	1	51	0.0	-56.61	359.18	9.51	-47.10
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300018426879	0	59	0.0	-65.68	412.37	12.25	-53.43
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300018426879	1	59	0.0	-66.81	408.53	12.00	-54.81
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C=CC(=O)[O-])O1	REAL300018426880	0	53	0.0	-71.83	377.68	9.19	-62.64
CC[NH+](CC)CC(CC)(CC)NCC1=C(C)OC(C(=O)[O-])=C1	REAL300018426881	0	52	0.0	-66.27	359.62	10.14	-56.13
CCN(CC)CC(CC)(CC)[NH2+]CC1=C(C)OC(C(=O)[O-])=C1	REAL300018426881	1	52	0.0	-59.66	359.27	10.05	-49.61
CC[NH+](CC)CC(CC)(CC)NCC1=CC(C)=C(C(=O)[O-])O1	REAL300018426882	0	52	0.0	-63.71	361.89	10.30	-53.41
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(C)=C(C(=O)[O-])O1	REAL300018426882	1	52	0.0	-56.82	364.49	10.50	-46.32
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018426883	0	52	0.0	-66.10	373.00	11.40	-54.70
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018426883	1	52	0.0	-65.17	373.61	11.41	-53.76
CC[NH+](CC)CC(CC)(CC)NCC1=CN(C)N=C1C(=O)[O-]	REAL300018426884	0	52	0.0	-53.41	356.75	8.69	-44.72
CCN(CC)CC(CC)(CC)[NH2+]CC1=CN(C)N=C1C(=O)[O-]	REAL300018426884	1	52	0.0	-49.84	358.70	8.71	-41.13
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018426885	0	52	0.0	-64.85	376.74	11.50	-53.35
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018426885	1	52	0.0	-63.97	377.05	11.65	-52.32
CCC1=C(C(=O)[O-])C=C(CNC(CC)(CC)C[NH+](CC)CC)O1	REAL300018426886	0	55	0.0	-61.75	383.66	10.96	-50.79
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C(=O)[O-])C=N1	REAL300018426887	0	51	0.0	-61.44	356.25	9.37	-52.07
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300018426887	1	51	0.0	-57.97	355.62	9.18	-48.79
CC[NH+](CC)CC(CC)(CC)NCC1=CC(C(=O)[O-])=NN1C	REAL300018426888	0	52	0.0	-70.66	359.56	8.69	-61.97
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(C(=O)[O-])=NN1C	REAL300018426888	1	52	0.0	-68.81	358.10	8.59	-60.22
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(CCC(=O)[O-])O1	REAL300018426889	0	55	0.0	-66.43	384.28	9.26	-57.17
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018426890	0	52	0.0	-67.21	365.13	11.07	-56.14
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018426890	1	52	0.0	-66.25	365.65	11.05	-55.20
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018426891	0	52	0.0	-68.18	389.78	11.77	-56.41
CC[NH+](CC)CC(CC)(CC)NCC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018426891	1	52	0.0	-67.36	388.62	11.77	-55.59
CC[NH+](CC)CC(CC)(CC)NCC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018426892	0	54	0.0	-80.19	383.18	10.03	-70.16
CCN(CC)CC(CC)(CC)[NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018426892	1	54	0.0	-83.35	384.34	10.05	-73.30
CC[NH+](CC)CC(CC)(CC)NCC1=CC=C(C(=O)[O-])N=C1	REAL300018426893	0	51	0.0	-74.61	355.18	7.59	-67.02
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=C(C(=O)[O-])N=C1	REAL300018426893	1	51	0.0	-68.96	357.25	9.30	-59.66
CC[NH+](CC)CC(CC)(CC)NCC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018426894	0	55	0.0	-55.95	385.31	11.34	-44.61
CCN(CC)CC(CC)(CC)[NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018426894	1	55	0.0	-50.07	388.14	11.68	-38.39
CC[NH+](CC)CC(CC)(CC)NCC1=CN=C(C(=O)[O-])C=C1C	REAL300018426895	0	54	0.0	-71.66	368.21	9.53	-62.13
CCN(CC)CC(CC)(CC)[NH2+]CC1=CN=C(C(=O)[O-])C=C1C	REAL300018426895	1	54	0.0	-67.27	369.24	9.89	-57.38
CC[NH+](CC)CC(CC)(CC)NCC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018426896	0	55	0.0	-76.15	385.13	9.09	-67.06
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018426896	1	55	0.0	-65.50	389.00	11.05	-54.45
CC[NH+](CC)CC(CC)(CC)NCC1=CC=CC(C(=O)[O-])=C1Br	REAL300018426897	0	52	0.0	-58.49	367.43	11.29	-47.20
CC[NH+](CC)CC(CC)(CC)NCC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018426898	0	59	0.0	-61.27	408.21	10.72	-50.55
CC[NH+](CC)CC(CC)(CC)NCC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018426899	0	59	0.0	-71.49	403.77	9.17	-62.32
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018426899	1	59	0.0	-66.46	406.61	10.88	-55.58
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018426900	0	55	0.0	-56.41	402.04	12.32	-44.09
CC[NH+](CC)CC(CC)(CC)NCC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018426900	1	55	0.0	-60.73	399.19	11.97	-48.76
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(C(=O)[O-])=CC=C1O	REAL300018426901	0	53	0.0	-58.69	370.68	8.63	-50.06
CCN(CC)CC(CC)(CC)[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018426902	0	52	0.0	-58.48	384.63	11.94	-46.54
CC[NH+](CC)CC(CC)(CC)NCC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018426902	1	52	0.0	-58.98	381.78	11.59	-47.39
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C=C1	REAL300018426903	0	43	0.0	-84.29	381.72	10.37	-73.92
O=C([O-])C1=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C=CO1	REAL300018426905	1	40	0.0	-49.92	359.45	8.63	-41.29
O=C([O-])CN1CCC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)CC1	REAL300018426906	0	48	0.0	-69.25	394.39	7.59	-61.66
O=C([O-])C1CCC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)CC1	REAL300018426908	0	46	0.0	-65.39	376.41	10.03	-55.36
CC(C)(CC[NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1)C(=O)[O-]	REAL300018426912	0	45	0.0	-66.10	377.26	9.16	-56.94
O=C([O-])C1CCC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)CC1	REAL300018426913	0	46	0.0	-65.39	376.41	10.03	-55.36
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)=C1	REAL300018426914	0	43	0.0	-77.14	381.73	10.36	-66.78
O=C([O-])C1=NNC(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)=C1	REAL300018426915	1	40	0.0	-83.47	363.13	6.81	-76.66
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C=C1	REAL300018426916	0	47	0.0	-82.22	412.78	10.64	-71.58
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C=C1	REAL300018426917	0	47	0.0	-82.22	412.78	10.64	-71.58
O=C([O-])C1=CC(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)=CS1	REAL300018426918	1	40	0.0	-74.40	372.26	9.42	-64.98
O=C([O-])CC1CCC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)CC1	REAL300018426919	0	49	0.0	-67.97	399.91	10.43	-57.54
CC([NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1)C1CC1C(=O)[O-]	REAL300018426923	0	43	0.0	-43.21	368.18	9.38	-33.83
O=C([O-])CC1CC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C1	REAL300018426924	0	43	0.0	-63.38	370.55	9.40	-53.98
CC1CC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)CCC1C(=O)[O-]	REAL300018426925	0	49	0.0	-73.03	390.45	9.96	-63.07
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C1	REAL300018426927	0	46	0.0	-67.03	392.15	9.99	-57.04
CC1=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C=C(C(=O)[O-])O1	REAL300018426928	1	43	0.0	-72.94	385.51	9.60	-63.34
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1	REAL300018426930	0	51	0.0	-60.11	401.21	10.67	-49.44
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1	REAL300018426931	0	49	0.0	-69.70	392.38	10.63	-59.07
CC1(C(=O)[O-])CC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C1	REAL300018426932	0	43	0.0	-60.81	366.85	9.06	-51.75
CN1C=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C(C(=O)[O-])=N1	REAL300018426933	1	43	0.0	-58.84	381.66	8.20	-50.64
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1	REAL300018426935	0	54	0.0	-73.36	433.63	11.29	-62.07
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1	REAL300018426937	1	43	0.0	-87.73	383.58	8.03	-79.70
O=C([O-])C1=CC(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)=CC=C1F	REAL300018426939	1	43	0.0	-81.08	386.28	10.39	-70.69
O=C([O-])CCC1CC([NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C1	REAL300018426940	0	46	0.0	-67.98	393.48	10.25	-57.73
O=C([O-])C1=CC=C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C=N1	REAL300018426941	1	42	0.0	-83.34	379.37	8.65	-74.69
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1=CC(OC2=CC=CC(Cl)=C2)=CC=N1	REAL300018426942	1	45	0.0	-86.58	392.65	9.19	-77.39
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)C1	REAL300018426943	0	46	0.0	-73.48	386.22	10.03	-63.45
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2=CC(OC3=CC=CC(Cl)=C3)=CC=N2)=C1	REAL300018426944	0	44	0.0	-73.36	389.30	7.77	-65.59
O=C([O-])C1=CC=CC=C1C1=CC=C(C[N@@H+]2CCC3=C(C2)SC=C3)O1	REAL300018426945	0	41	0.0	-61.84	344.03	12.68	-49.16
O=C([O-])C1=CC=CC=C1C1=CC=C(C[N@H+]2CCC3=C(C2)SC=C3)O1	REAL300018426945	1	41	0.0	-59.90	342.86	12.62	-47.28
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[N@@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426946	0	48	0.0	-66.67	397.16	13.46	-53.21
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[N@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426946	1	48	0.0	-69.29	390.89	13.62	-55.67
O=C([O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCC4=C(C3)SC=C4)O2)C=C1	REAL300018426947	0	41	0.0	-80.12	347.79	12.03	-68.09
O=C([O-])C1=CC=C(C2=CC=C(C[N@H+]3CCC4=C(C3)SC=C4)O2)C=C1	REAL300018426947	1	41	0.0	-78.95	346.65	11.95	-67.00
O=C([O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCC4=C(C3)SC=C4)O2)C=C1	REAL300018426948	0	41	0.0	-80.12	347.79	12.03	-68.09
O=C([O-])C1=CC=C(C2=CC=C(C[N@H+]3CCC4=C(C3)SC=C4)O2)C=C1	REAL300018426948	1	41	0.0	-78.95	346.65	11.95	-67.00
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[N@@H+]1CCC2=C(C1)SC=C2	REAL300018426949	1	41	0.0	-52.32	343.91	11.33	-40.99
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[N@H+]1CCC2=C(C1)SC=C2	REAL300018426949	1	41	0.0	-51.92	343.26	11.35	-40.57
CC1=CC(C[N@@H+]2CCC3=C(C2)SC=C3)=CC(C)=C1OCC(=O)[O-]	REAL300018426950	0	44	0.0	-79.23	358.98	11.79	-67.44
CC1=CC(C[N@H+]2CCC3=C(C2)SC=C3)=CC(C)=C1OCC(=O)[O-]	REAL300018426950	1	44	0.0	-79.19	358.96	11.79	-67.40
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+]1CCC2=C(C1)SC=C2	REAL300018426951	0	43	0.0	-68.81	345.77	9.56	-59.25
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+]1CCC2=C(C1)SC=C2	REAL300018426951	1	43	0.0	-68.67	346.21	9.59	-59.08
O=C([O-])COC1=CC=C(C[N@@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426952	0	38	0.0	-75.30	317.22	10.34	-64.96
O=C([O-])COC1=CC=C(C[N@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426952	1	38	0.0	-75.16	317.17	10.34	-64.82
O=C([O-])COC1=CC=C(C[N@@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426953	0	38	0.0	-75.30	317.22	10.34	-64.96
O=C([O-])COC1=CC=C(C[N@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426953	1	38	0.0	-75.16	317.17	10.34	-64.82
CC(OC1=CC=C(C[N@@H+]2CCC3=C(C2)SC=C3)C=C1)C(=O)[O-]	REAL300018426954	0	41	0.0	-75.96	335.03	10.93	-65.03
CC(OC1=CC=C(C[N@H+]2CCC3=C(C2)SC=C3)C=C1)C(=O)[O-]	REAL300018426954	1	41	0.0	-76.05	335.04	10.93	-65.12
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426955	0	41	0.0	-74.23	345.84	10.10	-64.13
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+]2CCC3=C(C2)SC=C3)C=C1	REAL300018426955	1	41	0.0	-78.40	337.09	9.72	-68.68
O=C([O-])C1=CC=C(C[N@@H+]2CCC3=C(C2)SC=C3)C=C1Cl	REAL300018426956	1	34	0.0	-76.73	298.65	10.45	-66.28
O=C([O-])C1=CC=C(C[N@H+]2CCC3=C(C2)SC=C3)C=C1Cl	REAL300018426956	1	34	0.0	-76.74	298.60	10.45	-66.29
O=C([O-])C1=CC=C(C[N@@H+]2CCC3=C(C2)SC=C3)C(C(F)(F)F)=C1	REAL300018426957	1	37	0.0	-66.28	314.58	11.05	-55.23
O=C([O-])C1=CC=C(C[N@H+]2CCC3=C(C2)SC=C3)C(C(F)(F)F)=C1	REAL300018426957	1	37	0.0	-68.23	313.61	10.90	-57.33
O=C([O-])CN1C=C(C[N@@H+]2CCC3=C(C2)SC=C3)C(C2=CC=CC=C2)=N1	REAL300018426960	0	44	0.0	-70.32	367.13	11.70	-58.62
O=C([O-])CN1C=C(C[N@H+]2CCC3=C(C2)SC=C3)C(C2=CC=CC=C2)=N1	REAL300018426960	1	44	0.0	-67.62	367.36	11.72	-55.90
O=C([O-])C1=CC2=C(SC(C[N@@H+]3CCC4=C(C3)SC=C4)=C2)S1	REAL300018426961	0	34	0.0	-78.09	314.48	10.77	-67.32
O=C([O-])C1=CC2=C(SC(C[N@H+]3CCC4=C(C3)SC=C4)=C2)S1	REAL300018426961	1	34	0.0	-78.29	314.82	10.76	-67.53
O=C([O-])C1=C2N=CC(C[N@@H+]3CCC4=C(C3)SC=C4)=CN2N=C1	REAL300018426962	1	36	0.0	-95.85	308.06	8.89	-86.96
O=C([O-])C1=C2N=CC(C[N@H+]3CCC4=C(C3)SC=C4)=CN2N=C1	REAL300018426962	1	36	0.0	-95.65	309.65	8.99	-86.66
O=C([O-])C1=CN2C(C[N@@H+]3CCC4=C(C3)SC=C4)=CN=C2C=C1	REAL300018426965	1	37	0.0	-63.35	308.36	10.30	-53.05
O=C([O-])C1=CN2C(C[N@H+]3CCC4=C(C3)SC=C4)=CN=C2C=C1	REAL300018426965	1	37	0.0	-59.69	314.11	10.44	-49.25
O=C([O-])C1=CN=C2C(C[N@@H+]3CCC4=C(C3)SC=C4)=CC=CN12	REAL300018426967	0	37	0.0	-77.71	307.92	10.29	-67.42
O=C([O-])C1=CN=C2C(C[N@H+]3CCC4=C(C3)SC=C4)=CC=CN12	REAL300018426967	1	37	0.0	-78.77	313.44	8.84	-69.93
O=C([O-])C1=CC=CC(C[N@@H+]2CCC3=C(C2)SC=C3)=C1Br	REAL300018426968	1	34	0.0	-63.23	298.59	10.52	-52.71
O=C([O-])C1=CC=CC(C[N@H+]2CCC3=C(C2)SC=C3)=C1Br	REAL300018426968	1	34	0.0	-62.23	297.73	10.54	-51.69
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[N@@H+]2CCC3=C(C2)SC=C3)C1	REAL300018426970	1	41	0.0	-76.41	334.90	9.97	-66.44
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[N@H+]2CCC3=C(C2)SC=C3)C1	REAL300018426970	1	41	0.0	-77.12	334.38	9.94	-67.18
O=C([O-])C1=CC(C[N@@H+]2CCC3=C(C2)SC=C3)=CC(C(F)(F)F)=C1	REAL300018426971	1	37	0.0	-67.20	325.20	11.05	-56.15
O=C([O-])C1=CC(C[N@H+]2CCC3=C(C2)SC=C3)=CC(C(F)(F)F)=C1	REAL300018426971	1	37	0.0	-69.25	325.16	11.05	-58.20
CCC1(C)CC1[NH2+]CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1	REAL300018426974	0	50	0.0	-67.14	398.66	11.93	-55.21
CCC1(C)CC1[NH2+]CC1=C2C=C(C(=O)[O-])OC2=C(OC)C=C1	REAL300018426975	0	43	0.0	-72.28	347.31	8.58	-63.70
CCC1(C)CC1[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018426976	0	39	0.0	-69.71	317.23	9.61	-60.10
CCC1(C)CC1[NH2+]CC1=CC(C)=CC(Br)=C1OCC(=O)[O-]	REAL300018426977	0	43	0.0	-53.54	361.70	10.20	-43.34
CCC1(C)CC1[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018426978	0	36	0.0	-72.26	304.99	9.07	-63.19
CCC1(C)CC1[NH2+]CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018426979	0	46	0.0	-64.79	368.05	10.15	-54.64
CCC1(C)CC1[NH2+]CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018426980	0	43	0.0	-48.27	352.87	9.97	-38.30
CCC1(C)CC1[NH2+]CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12	REAL300018426981	0	39	0.0	-59.53	336.88	9.55	-49.98
CCC1(C)CC1[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018426982	0	36	0.0	-61.22	299.91	8.97	-52.25
CCC1(C)CC1[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018426983	0	39	0.0	-65.37	327.79	9.59	-55.78
CCC1(C)CC1[NH2+]CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12	REAL300018426984	0	39	0.0	-81.44	336.96	9.76	-71.68
CCC1(C)CC1[NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1	REAL300018426985	0	43	0.0	-37.74	346.47	10.90	-26.84
CCC1(C)CC1[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018426986	0	36	0.0	-64.39	310.03	9.19	-55.20
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)O1	REAL300018426987	0	45	0.0	-60.71	364.43	8.98	-51.73
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@@H]3COC[C@@H]3N3C=CC=N3)O2)C=C1	REAL300018426988	0	45	0.0	-79.28	370.16	8.27	-71.01
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@@H]3COC[C@@H]3N3C=CC=N3)O2)C=C1	REAL300018426989	0	45	0.0	-79.28	370.16	8.27	-71.01
CC1=CC(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)=CC(C)=C1OCC(=O)[O-]	REAL300018426990	0	48	0.0	-79.12	383.21	8.10	-71.02
O=C([O-])CCC[NH+]1CCC(N[C@@H]2COC[C@@H]2N2C=CC=N2)CC1	REAL300018426991	0	49	0.0	-57.16	364.63	6.17	-50.99
O=C([O-])CCCN1CCC([NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)CC1	REAL300018426991	1	49	0.0	-66.47	362.10	4.87	-61.60
O=C([O-])COC1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C=C1	REAL300018426992	0	42	0.0	-75.52	341.38	6.71	-68.81
O=C([O-])COC1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C=C1	REAL300018426993	0	42	0.0	-75.52	341.38	6.71	-68.81
CC(OC1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C=C1)C(=O)[O-]	REAL300018426994	0	45	0.0	-75.83	359.17	7.23	-68.60
O=C([O-])C=CC1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)O1	REAL300018426995	1	39	0.0	-77.91	327.53	4.50	-73.41
O=C([O-])C(F)(F)C1CCCC([NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C1	REAL300018426996	0	44	0.0	-61.74	339.33	6.52	-55.22
O=C([O-])C(F)(F)C1CCC([NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C1	REAL300018426997	0	41	0.0	-61.03	321.76	6.04	-54.99
O=C([O-])C1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C=C1Cl	REAL300018426998	0	38	0.0	-76.43	322.72	6.80	-69.63
O=C([O-])C1=CC=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)C=C1Br	REAL300018426999	0	38	0.0	-75.13	326.46	6.90	-68.23
CCC1=C(C(=O)[O-])C=C(C[NH2+][C@@H]2COC[C@@H]2N2C=CC=N2)O1	REAL300018427000	1	41	0.0	-68.38	333.14	6.14	-62.24
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018429216	0	34	0.0	-33.19	312.23	7.99	-25.20
CC1(C)CC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC(C)(C)C1	REAL300018429217	0	47	0.0	-29.45	349.26	7.99	-21.46
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018429218	0	39	0.0	-32.98	338.91	8.89	-24.09
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429219	0	45	0.0	-30.73	368.33	8.89	-21.84
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(Cl)=C1OC	REAL300018429220	0	40	0.0	-24.40	356.69	6.67	-17.73
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018429221	0	39	0.0	-30.45	348.25	9.38	-21.07
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018429222	0	35	0.0	-27.40	318.27	8.29	-19.11
CC(C)OC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429223	0	42	0.0	-28.65	348.84	7.56	-21.09
CCCCCCCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429224	0	54	0.0	-29.25	438.41	10.86	-18.39
CC(C[NH2+]C(CC1=NC=CS1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018429225	0	53	0.0	-29.12	412.54	11.08	-18.04
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018429226	0	36	0.0	-27.50	312.24	6.76	-20.74
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018429227	0	31	0.0	-33.26	300.93	6.56	-26.70
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018429228	0	45	0.0	-23.19	363.46	6.31	-16.88
CC(C)CC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429229	0	44	0.0	-27.58	360.70	9.40	-18.18
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=C2)C=C1	REAL300018429230	0	45	0.0	-29.15	376.50	10.84	-18.31
COC1=CC=C(Br)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429231	0	36	0.0	-23.47	321.08	6.62	-16.85
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018429232	0	38	0.0	-34.61	335.09	7.45	-27.16
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018429233	0	32	0.0	-29.16	314.34	7.77	-21.39
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429234	0	45	0.0	-30.17	375.62	10.80	-19.37
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018429235	0	36	0.0	-31.57	318.82	6.30	-25.27
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300018429236	0	42	0.0	-26.21	377.16	7.76	-18.45
CCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OCC	REAL300018429237	0	46	0.0	-30.66	382.02	7.75	-22.91
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018429238	0	35	0.0	-34.30	332.78	8.17	-26.13
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018429239	0	32	0.0	-22.02	304.76	7.52	-14.50
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018429240	0	35	0.0	-34.60	319.17	5.82	-28.78
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018429241	0	37	0.0	-26.28	316.36	7.08	-19.20
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018429242	0	36	0.0	-31.40	326.88	6.55	-24.85
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429243	0	38	0.0	-36.86	341.58	4.28	-32.58
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429244	0	46	0.0	-30.30	389.10	9.82	-20.48
CC(CCOCC1=CC=CC=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429245	0	45	0.0	-30.26	371.75	8.16	-22.10
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018429246	0	39	0.0	-31.95	324.16	8.25	-23.70
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018429247	0	42	0.0	-30.73	371.82	10.69	-20.04
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018429248	0	42	0.0	-30.29	370.51	10.64	-19.65
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018429249	1	42	0.0	-31.58	379.20	9.72	-21.86
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C2=CC=CC=C12	REAL300018429250	0	42	0.0	-24.78	349.24	8.32	-16.46
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018429252	0	37	0.0	-30.24	316.78	6.60	-23.64
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(Br)=C1	REAL300018429253	0	29	0.0	-30.30	292.54	6.44	-23.86
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300018429254	0	49	0.0	-34.70	416.23	8.14	-26.56
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018429255	0	45	0.0	-33.45	384.29	8.30	-25.15
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300018429256	0	50	0.0	-29.20	412.59	9.74	-19.46
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018429257	0	45	0.0	-27.42	386.79	8.47	-18.95
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018429258	0	43	0.0	-28.67	355.99	6.82	-21.85
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429259	0	40	0.0	-36.13	353.15	3.43	-32.70
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018429260	0	36	0.0	-29.26	311.91	6.77	-22.49
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018429261	0	36	0.0	-30.10	312.25	6.77	-23.33
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018429262	0	35	0.0	-36.70	320.45	5.85	-30.85
CC1(C)CCC2=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CC=C2O1	REAL300018429263	0	46	0.0	-30.16	371.52	8.58	-21.58
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429264	0	47	0.0	-28.15	353.66	9.50	-18.65
CN(C)C1=CC=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429265	0	40	0.0	-21.45	331.05	6.86	-14.59
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018429266	0	41	0.0	-33.02	348.79	8.36	-24.66
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018429267	0	41	0.0	-32.19	348.98	8.37	-23.82
CN1CCN(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=C2)CC1	REAL300018429268	1	49	0.0	-29.31	390.10	5.46	-23.85
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429269	0	48	0.0	-27.85	382.96	4.23	-23.62
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018429270	0	41	0.0	-33.09	362.22	5.25	-27.84
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018429271	0	42	0.0	-34.73	339.89	4.57	-30.16
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018429272	0	47	0.0	-29.51	388.68	7.82	-21.69
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018429273	0	47	0.0	-28.94	388.28	7.86	-21.08
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018429274	0	46	0.0	-33.21	363.69	5.37	-27.84
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018429275	0	39	0.0	-33.93	344.80	7.99	-25.94
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429276	0	45	0.0	-27.93	392.59	9.31	-18.62
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018429277	0	39	0.0	-33.39	355.12	8.45	-24.94
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429278	0	45	0.0	-34.98	389.73	9.03	-25.95
CC(C)(C)N1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300018429279	0	41	0.0	-25.73	343.56	6.68	-19.05
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300018429280	0	51	0.0	-31.03	427.69	9.91	-21.12
CN1CCN(C2=CC=CC(Cl)=C2C[NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429281	1	49	0.0	-26.18	406.60	6.57	-19.61
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018429283	0	39	0.0	-32.69	350.49	7.40	-25.29
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018429285	0	36	0.0	-26.26	336.70	7.05	-19.21
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018429286	0	39	0.0	-29.49	366.65	10.19	-19.30
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300018429287	0	42	0.0	-28.42	364.49	5.42	-23.00
COC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429288	0	43	0.0	-27.18	367.68	6.06	-21.12
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300018429289	0	43	0.0	-33.17	379.74	7.29	-25.88
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018429290	0	42	0.0	-28.08	348.94	6.71	-21.37
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018429291	0	45	0.0	-33.25	385.70	8.23	-25.02
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018429292	0	45	0.0	-32.03	383.60	8.30	-23.73
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429294	0	41	0.0	-30.84	342.80	6.29	-24.55
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300018429295	0	38	0.0	-31.22	345.73	6.58	-24.64
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300018429296	0	42	0.0	-33.27	379.09	8.88	-24.39
COCCOC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429297	0	43	0.0	-32.90	364.55	6.21	-26.69
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300018429298	0	36	0.0	-33.01	326.41	6.61	-26.40
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC(Br)=CC=C2OC1	REAL300018429299	0	38	0.0	-29.88	346.89	7.83	-22.05
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018429300	0	38	0.0	-30.27	359.78	8.31	-21.96
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018429301	0	37	0.0	-34.60	340.17	5.75	-28.85
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300018429302	0	40	0.0	-23.08	344.20	6.54	-16.54
COC1=NC=C(Br)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429304	0	35	0.0	-23.64	329.13	4.28	-19.36
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018429305	0	31	0.0	-26.19	297.17	5.52	-20.67
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018429306	0	41	0.0	-26.66	353.60	4.14	-22.52
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018429307	0	37	0.0	-27.53	318.18	7.16	-20.37
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018429308	0	39	0.0	-33.91	351.81	7.45	-26.46
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018429309	0	38	0.0	-23.87	322.84	6.04	-17.83
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018429310	0	41	0.0	-30.88	342.49	6.75	-24.13
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018429311	0	39	0.0	-28.46	341.97	9.20	-19.26
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2=CC=CC(Br)=C2)C1	REAL300018429312	0	39	0.0	-28.49	346.53	9.31	-19.18
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018429313	0	39	0.0	-27.05	334.67	8.89	-18.16
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018429314	0	40	0.0	-32.07	348.73	8.00	-24.07
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018429315	0	43	0.0	-32.96	359.03	5.13	-27.83
CCCOC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429317	0	42	0.0	-30.24	352.42	7.74	-22.50
C#CCCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429318	0	41	0.0	-30.04	358.20	8.26	-21.78
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018429319	0	39	0.0	-28.43	346.93	9.34	-19.09
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018429320	0	39	0.0	-29.68	357.59	9.53	-20.15
CC1=C2C=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=NC2=NN1	REAL300018429321	0	37	0.0	-36.23	323.95	5.27	-30.96
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018429322	0	46	0.0	-30.89	374.98	8.95	-21.94
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1N1C=NC=N1	REAL300018429323	0	38	0.0	-25.72	326.37	10.00	-15.72
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300018429324	0	41	0.0	-29.88	355.21	6.12	-23.76
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300018429325	0	41	0.0	-28.70	355.11	6.17	-22.53
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C2C=CC=CN12	REAL300018429326	0	35	0.0	-26.43	306.76	7.26	-19.17
CN(C)C1=NC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])S1	REAL300018429327	0	36	0.0	-27.14	322.95	5.95	-21.19
CC(C)OC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429328	0	42	0.0	-30.44	348.85	7.56	-22.88
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300018429329	0	45	0.0	-26.06	383.33	8.68	-17.38
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018429333	0	46	0.0	-30.83	394.55	10.16	-20.67
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300018429334	0	42	0.0	-32.02	378.51	7.21	-24.81
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429335	0	41	0.0	-30.91	344.13	8.94	-21.97
CC1=CC=CC(CCC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429336	0	44	0.0	-29.96	357.83	9.50	-20.46
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429337	0	44	0.0	-31.00	376.78	9.89	-21.11
CC1=CC=C(CCC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429338	0	44	0.0	-29.64	354.05	9.47	-20.17
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300018429339	0	47	0.0	-32.23	385.71	7.57	-24.66
CC(C1=CC=CC=C1)N1CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])C1	REAL300018429340	0	47	0.0	-31.05	369.50	7.33	-23.72
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018429341	0	44	0.0	-31.79	383.57	8.53	-23.26
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CC2CC2)CC1	REAL300018429342	1	44	0.0	-29.13	342.76	5.65	-23.48
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CS2)C=C1	REAL300018429343	0	45	0.0	-30.84	397.75	7.80	-23.04
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429344	0	55	0.0	-32.25	435.87	11.01	-21.24
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018429346	0	35	0.0	-29.67	337.95	6.63	-23.04
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018429347	0	39	0.0	-30.45	356.33	9.75	-20.70
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018429348	0	44	0.0	-34.15	357.83	7.13	-27.02
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018429349	0	36	0.0	-34.89	316.93	5.16	-29.73
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300018429350	0	46	0.0	-22.94	375.77	9.18	-13.76
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018429351	0	35	0.0	-31.97	325.77	7.92	-24.05
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])S1	REAL300018429352	0	40	0.0	-25.97	348.92	6.69	-19.28
CC(C)CN1CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429353	1	46	0.0	-25.20	355.19	6.23	-18.97
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429354	0	49	0.0	-26.78	414.21	7.82	-18.96
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])S2)C=C1	REAL300018429355	0	42	0.0	-26.80	369.16	10.28	-16.52
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300018429356	0	38	0.0	-30.91	345.66	7.02	-23.89
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429357	0	36	0.0	-23.22	344.37	7.34	-15.88
C#CCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429358	0	38	0.0	-32.36	338.02	7.53	-24.83
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429359	0	44	0.0	-31.06	357.09	9.55	-21.51
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018429360	0	43	0.0	-29.92	382.40	9.75	-20.17
CCOC1=C(OC)C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OC	REAL300018429361	0	47	0.0	-32.84	394.64	6.81	-26.03
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018429362	0	46	0.0	-31.22	367.80	5.56	-25.66
CC(C)(C)N1CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429363	1	46	0.0	-29.17	343.87	5.27	-23.90
COCCCOC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429364	0	46	0.0	-32.95	387.41	6.85	-26.10
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1SC	REAL300018429365	0	40	0.0	-32.00	349.80	7.10	-24.90
CCC(C)OC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1OC	REAL300018429366	0	49	0.0	-30.33	398.84	8.25	-22.08
C=C(C)COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1OC	REAL300018429367	0	47	0.0	-31.71	393.77	8.23	-23.48
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OCCC(C)C	REAL300018429368	0	52	0.0	-30.92	422.05	8.98	-21.94
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018429369	0	53	0.0	-31.59	397.54	2.75	-28.84
CCOCC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1OC	REAL300018429370	0	46	0.0	-27.51	383.15	6.92	-20.59
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018429371	0	39	0.0	-29.65	341.47	6.83	-22.82
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429372	0	41	0.0	-30.97	360.28	7.86	-23.11
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429373	0	42	0.0	-31.72	378.29	5.27	-26.45
CCCC(CC1=CC=CC=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429374	0	44	0.0	-32.22	355.12	9.48	-22.74
CCN1N=C(C)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300018429377	0	41	0.0	-30.56	342.45	6.33	-24.23
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429378	0	44	0.0	-33.37	371.38	9.80	-23.57
C=CCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300018429379	0	40	0.0	-33.04	361.17	8.12	-24.92
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018429380	0	38	0.0	-27.66	347.10	7.93	-19.73
COCCC(CC1=CC=CC(F)=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429381	0	45	0.0	-29.93	346.45	7.21	-22.72
CC(C)CCC1CCCC1[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429382	0	47	0.0	-28.14	358.54	9.34	-18.80
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018429383	0	44	0.0	-30.76	367.31	6.62	-24.14
CN1N=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C2=CC=CC=C21	REAL300018429384	0	38	0.0	-23.83	329.86	6.75	-17.08
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300018429385	0	35	0.0	-30.34	306.45	5.33	-25.01
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300018429385	1	35	0.0	-28.74	309.16	5.54	-23.20
CN(C)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1F	REAL300018429386	0	40	0.0	-32.81	341.79	6.30	-26.51
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018429387	0	35	0.0	-32.43	317.13	6.32	-26.11
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429389	0	47	0.0	-35.41	388.74	10.49	-24.92
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300018429390	0	41	0.0	-30.26	370.81	6.29	-23.97
CC1(C)CC2=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CC=C2O1	REAL300018429391	0	43	0.0	-30.82	358.30	8.00	-22.82
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018429393	0	35	0.0	-29.93	336.39	6.65	-23.28
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429394	0	42	0.0	-24.49	357.44	7.35	-17.14
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018429395	0	39	0.0	-30.37	347.79	7.01	-23.36
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300018429396	0	32	0.0	-22.02	316.08	7.96	-14.06
CC(CSC(C)(C)C)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429397	0	41	0.0	-22.01	333.03	7.57	-14.44
CN(C)C1=NC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])N1C	REAL300018429398	0	40	0.0	-25.97	340.68	5.99	-19.98
CC(C)COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429400	0	45	0.0	-29.26	372.52	8.44	-20.82
COCCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429401	0	43	0.0	-31.99	364.54	6.21	-25.78
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429402	0	41	0.0	-35.58	364.45	9.62	-25.96
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018429403	0	36	0.0	-32.40	336.17	6.88	-25.52
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300018429404	0	40	0.0	-31.89	375.11	8.36	-23.53
CC1=CC(N(C)C)=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429405	0	43	0.0	-24.02	346.24	7.83	-16.19
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018429406	0	39	0.0	-27.61	325.10	8.62	-18.99
CC1=CC=CC=C1CC(C)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429407	0	41	0.0	-31.43	323.60	7.95	-23.48
CC1=CC=CC(CC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429408	0	41	0.0	-32.20	337.01	8.75	-23.45
COC1=CC2=C(C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-])OCO2	REAL300018429409	0	39	0.0	-25.67	334.08	4.84	-20.83
COC1=CC(Cl)=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OC	REAL300018429410	0	40	0.0	-27.91	351.47	6.55	-21.36
CC(C)COC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429411	0	45	0.0	-30.14	372.52	8.44	-21.70
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300018429412	0	52	0.0	-32.31	420.91	5.61	-26.70
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018429413	0	38	0.0	-24.95	326.44	9.00	-15.95
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OC	REAL300018429414	0	44	0.0	-30.67	393.03	8.08	-22.59
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300018429415	0	46	0.0	-34.91	393.10	7.74	-27.17
CC(C)COC1=CC=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429416	0	45	0.0	-22.91	373.65	8.68	-14.23
CC1(C)CC2=CC=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=C2O1	REAL300018429417	0	43	0.0	-22.31	357.16	8.05	-14.26
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C(Cl)C=NC=C1Cl	REAL300018429418	0	31	0.0	-25.15	304.35	5.81	-19.34
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=NC=C1Br	REAL300018429420	0	31	0.0	-26.93	290.51	5.67	-21.26
CC(C)(C[NH2+]C(CC1=NC=CS1)C(=O)[O-])N1CCOCC1	REAL300018429421	0	44	0.0	-24.60	334.61	3.70	-20.90
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018429422	0	32	0.0	-29.05	307.27	7.40	-21.65
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429423	0	38	0.0	-27.04	318.58	8.57	-18.47
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018429424	0	42	0.0	-24.80	359.27	8.00	-16.80
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018429425	0	39	0.0	-30.16	339.30	7.95	-22.21
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300018429426	0	37	0.0	-23.04	338.45	8.39	-14.65
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018429427	0	37	0.0	-32.63	321.89	7.23	-25.40
CC1=C(Br)SC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429428	0	32	0.0	-26.17	311.42	7.27	-18.90
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018429429	0	35	0.0	-30.70	308.19	5.61	-25.09
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018429430	0	35	0.0	-35.29	307.16	5.44	-29.85
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018429431	0	35	0.0	-27.53	328.73	7.85	-19.68
CS(=O)(=O)N1CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429432	0	40	0.0	-33.82	332.72	2.56	-31.26
COC1=CC(F)=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429433	0	36	0.0	-30.09	316.80	6.12	-23.97
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300018429434	0	42	0.0	-30.83	352.51	6.71	-24.12
COC1=CC=CC=C1N1CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429435	0	48	0.0	-30.89	376.71	6.65	-24.24
CC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(Cl)=C1	REAL300018429436	0	35	0.0	-27.94	311.45	7.76	-20.18
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429437	0	40	0.0	-28.54	346.92	5.63	-22.91
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300018429438	0	36	0.0	-23.51	334.03	6.95	-16.56
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018429439	0	34	0.0	-37.84	321.56	7.80	-30.04
O=C([O-])C(CC1=NC=CS1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018429440	0	35	0.0	-33.23	319.12	8.04	-25.19
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300018429441	0	52	0.0	-32.68	435.15	11.59	-21.09
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018429442	0	42	0.0	-26.57	330.32	9.37	-17.20
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300018429443	0	45	0.0	-32.25	382.72	8.42	-23.83
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429444	0	38	0.0	-26.80	320.53	8.69	-18.11
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])S2)C=C1	REAL300018429445	0	41	0.0	-29.14	367.31	8.46	-20.68
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018429446	0	37	0.0	-24.80	338.54	7.94	-16.86
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018429447	0	37	0.0	-24.08	332.63	7.73	-16.35
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018429448	0	37	0.0	-23.18	325.40	7.39	-15.79
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018429449	0	37	0.0	-24.13	326.08	7.42	-16.71
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018429450	0	37	0.0	-22.76	334.25	7.77	-14.99
CS(=O)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429451	0	37	0.0	-42.11	331.77	5.31	-36.80
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018429452	0	34	0.0	-31.76	320.93	8.03	-23.73
CC(C)CCN1C=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429453	0	45	0.0	-24.54	366.45	9.18	-15.36
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018429454	0	39	0.0	-31.03	354.65	8.88	-22.15
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])O1	REAL300018429455	1	42	0.0	-28.39	367.11	9.47	-18.92
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])O2)C=C1	REAL300018429456	1	45	0.0	-29.45	385.20	10.23	-19.22
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(OC(F)F)=C1	REAL300018429457	0	40	0.0	-31.73	346.93	5.65	-26.08
CCN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018429458	0	45	0.0	-25.40	382.95	8.93	-16.47
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018429459	0	42	0.0	-28.28	343.58	9.25	-19.03
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018429460	0	51	0.0	-22.35	369.80	10.03	-12.32
CC1=CC=C(C(C)C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429461	0	41	0.0	-31.61	338.30	8.75	-22.86
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1C(C)(C)C	REAL300018429462	0	48	0.0	-29.35	381.56	8.74	-20.61
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429463	0	45	0.0	-31.04	361.29	7.90	-23.14
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429464	0	37	0.0	-35.97	333.79	1.67	-34.30
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018429465	0	39	0.0	-29.95	331.77	8.70	-21.25
CCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300018429466	0	42	0.0	-24.26	346.09	7.67	-16.59
COC1=CC(C)=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429467	0	39	0.0	-22.45	329.48	6.85	-15.60
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018429468	0	42	0.0	-30.26	339.09	9.17	-21.09
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429469	0	34	0.0	-25.19	317.58	5.90	-19.29
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018429470	0	42	0.0	-32.48	340.85	8.91	-23.57
COCC1=CSC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429471	0	36	0.0	-25.78	325.44	5.66	-20.12
CCCC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])S1	REAL300018429472	0	38	0.0	-24.78	335.00	8.29	-16.49
CC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018429473	0	37	0.0	-36.12	314.81	7.78	-28.34
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1Br	REAL300018429474	0	35	0.0	-28.79	319.06	7.90	-20.89
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1Cl	REAL300018429475	0	36	0.0	-30.97	326.42	6.61	-24.36
COC1=CC=CC(C)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429476	0	39	0.0	-24.73	322.90	6.52	-18.21
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018429477	0	35	0.0	-24.63	309.43	7.22	-17.41
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018429479	0	31	0.0	-28.65	308.14	5.31	-23.34
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018429481	0	36	0.0	-32.31	313.79	8.15	-24.16
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018429482	0	37	0.0	-28.89	319.35	4.18	-24.71
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018429483	0	35	0.0	-29.98	324.45	7.69	-22.29
CC1=CC=CN2C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CN=C12	REAL300018429484	0	38	0.0	-32.67	329.18	7.78	-24.89
CN1C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CN=C1Cl	REAL300018429485	0	32	0.0	-25.46	296.25	5.69	-19.77
CN1C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CN=C1Br	REAL300018429486	0	32	0.0	-25.36	300.55	5.72	-19.64
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018429487	0	38	0.0	-36.55	341.39	6.80	-29.75
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018429488	0	32	0.0	-28.03	300.98	4.16	-23.87
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018429489	0	36	0.0	-29.67	318.31	6.85	-22.82
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018429490	0	36	0.0	-28.50	320.37	6.92	-21.58
CCOC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=N1	REAL300018429491	0	38	0.0	-29.24	328.94	4.42	-24.82
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429492	0	35	0.0	-23.94	310.93	7.95	-15.99
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018429493	0	34	0.0	-29.83	314.19	6.65	-23.18
CC1=CC=CC2=NC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])N21	REAL300018429494	0	38	0.0	-24.74	311.72	7.51	-17.23
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429495	0	44	0.0	-34.71	363.52	7.44	-27.27
CC1=CC(Cl)=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429496	0	35	0.0	-27.18	317.70	7.88	-19.30
COCC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429497	0	39	0.0	-29.57	334.62	6.45	-23.12
COCC(CC(C)(C)C)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429498	0	44	0.0	-22.27	334.97	5.84	-16.43
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018429499	0	37	0.0	-37.45	326.98	7.15	-30.30
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC2=CC=CN=C12	REAL300018429500	0	40	0.0	-30.73	340.81	7.91	-22.82
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1C	REAL300018429501	0	45	0.0	-28.96	373.82	8.53	-20.43
COC1=C(C)C=NC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300018429502	0	41	0.0	-28.24	346.69	5.78	-22.46
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429503	0	42	0.0	-23.39	353.74	8.46	-14.93
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCCC12CCCC2	REAL300018429504	0	45	0.0	-25.93	320.35	8.35	-17.58
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])S1	REAL300018429505	0	35	0.0	-34.36	333.00	3.52	-30.84
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018429506	0	34	0.0	-25.41	325.97	6.44	-18.97
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])O2)C=C1	REAL300018429507	1	51	0.0	-29.25	418.42	11.11	-18.14
CC1CC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300018429508	0	50	0.0	-29.97	389.94	7.94	-22.03
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429509	0	52	0.0	-22.74	411.45	9.77	-12.97
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429510	0	52	0.0	-22.99	423.32	9.82	-13.17
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018429511	0	35	0.0	-29.75	311.74	7.58	-22.17
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018429512	0	34	0.0	-32.50	319.34	4.80	-27.70
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018429513	0	39	0.0	-23.59	324.13	8.65	-14.94
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300018429514	0	34	0.0	-42.14	302.37	6.31	-35.83
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC(Cl)=CS1	REAL300018429515	0	28	0.0	-32.26	281.31	4.28	-27.98
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018429516	0	35	0.0	-29.81	329.01	7.80	-22.01
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018429517	0	37	0.0	-28.68	319.81	7.18	-21.50
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429518	0	36	0.0	-26.87	323.10	6.53	-20.34
CC1=NC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])N1C1=CC=CC=C1	REAL300018429519	0	42	0.0	-28.44	358.60	8.98	-19.46
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429520	0	50	0.0	-29.76	415.72	11.53	-18.23
CCCN1N=C(C)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300018429521	0	44	0.0	-27.42	362.70	7.04	-20.38
CCN(CC)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1F	REAL300018429522	0	46	0.0	-31.99	380.03	7.88	-24.11
CCOC1CC([NH2+]C(CC2=NC=CS2)C(=O)[O-])C12CCCC2	REAL300018429523	0	46	0.0	-25.71	357.93	8.01	-17.70
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C(SC)C=C1OC	REAL300018429524	0	44	0.0	-24.73	374.23	6.97	-17.76
CN(C)C1=CC=C(N2CCC([NH2+]C(CC3=NC=CS3)C(=O)[O-])CC2)C=C1	REAL300018429525	0	52	0.0	-32.43	396.05	7.36	-25.07
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429526	0	43	0.0	-39.39	356.09	9.21	-30.18
CCCC(C[NH2+]C(CC1=NC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300018429527	0	44	0.0	-31.04	359.19	9.41	-21.63
CC1CC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018429528	0	48	0.0	-23.30	343.07	9.92	-13.38
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429529	0	42	0.0	-28.43	353.89	7.70	-20.73
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018429530	0	34	0.0	-23.56	317.99	6.34	-17.22
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300018429531	0	36	0.0	-25.77	324.21	6.53	-19.24
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC2=CC=CC=C21	REAL300018429532	0	42	0.0	-30.78	355.36	8.35	-22.43
CCOC1=CN=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429533	0	38	0.0	-30.70	327.17	5.16	-25.54
CCOC1=CC(F)=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429534	0	39	0.0	-29.16	337.33	7.01	-22.15
COC1=CC=C(C(C)C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429535	0	42	0.0	-27.62	345.41	7.41	-20.21
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429536	0	39	0.0	-26.61	334.40	6.57	-20.04
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018429537	0	48	0.0	-29.73	347.38	8.60	-21.13
CC([NH2+]C(CC1=NC=CS1)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018429538	0	41	0.0	-31.01	331.29	8.41	-22.60
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018429539	0	40	0.0	-32.37	334.04	7.80	-24.57
CC1CN(CC2=CC=CC=C2)CC1[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429540	0	47	0.0	-26.14	371.88	7.29	-18.85
COC1=CC=CC2=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=CC=C12	REAL300018429541	0	42	0.0	-28.77	344.83	8.09	-20.68
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018429542	0	39	0.0	-26.46	335.36	6.91	-19.55
CC(CCC1=CC=CN=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429543	0	40	0.0	-33.34	331.26	7.05	-26.29
CC(C)C1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429544	0	41	0.0	-27.74	339.78	8.63	-19.11
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])O1	REAL300018429545	0	34	0.0	-36.31	317.27	-0.04	-36.35
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018429546	0	43	0.0	-32.82	358.09	9.75	-23.07
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018429547	0	46	0.0	-26.65	339.65	6.37	-20.28
COC1=CN=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300018429548	0	38	0.0	-26.00	319.16	4.93	-21.07
NC1=C(Cl)C=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429549	0	34	0.0	-23.27	304.84	5.43	-17.84
O=C([O-])C(CC1=NC=CS1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018429550	0	35	0.0	-31.91	322.56	8.01	-23.90
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018429551	0	34	0.0	-30.52	302.53	5.62	-24.90
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018429552	0	32	0.0	-28.92	312.94	7.21	-21.71
CC1=C2C=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])NC2=CC=C1	REAL300018429553	0	39	0.0	-29.03	332.40	7.30	-21.73
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018429554	0	32	0.0	-31.68	310.18	6.86	-24.82
CCCOC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300018429555	0	45	0.0	-25.05	369.76	8.53	-16.52
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OC1CC1	REAL300018429556	0	44	0.0	-31.39	369.34	7.58	-23.81
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018429557	0	45	0.0	-24.65	336.64	8.38	-16.27
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018429558	0	34	0.0	-30.94	308.98	5.80	-25.14
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018429559	0	42	0.0	-24.93	332.26	8.88	-16.05
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC=C(Br)S1	REAL300018429560	0	28	0.0	-22.20	286.40	4.70	-17.50
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018429561	0	42	0.0	-33.07	331.14	8.74	-24.33
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C(F)F)=N1	REAL300018429562	0	35	0.0	-34.76	313.00	5.44	-29.32
CC([NH2+]C(CC1=NC=CS1)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018429563	0	44	0.0	-28.43	365.72	9.22	-19.21
CCC1(CC)CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429564	0	47	0.0	-29.28	341.56	7.98	-21.30
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018429565	0	40	0.0	-24.18	326.75	6.79	-17.39
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018429566	0	39	0.0	-33.00	335.14	8.90	-24.10
CC(CC1=COC2=CC=CC=C12)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429567	0	41	0.0	-37.64	344.41	8.45	-29.19
NS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429568	0	37	0.0	-37.91	333.80	1.66	-36.25
CC1=CC=C2C=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])NC2=C1	REAL300018429569	0	39	0.0	-26.83	335.33	7.51	-19.32
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018429570	0	31	0.0	-23.16	305.26	5.15	-18.01
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300018429571	0	36	0.0	-24.93	324.25	6.53	-18.40
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429572	0	40	0.0	-28.80	336.96	8.30	-20.50
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018429573	0	48	0.0	-26.27	368.45	10.13	-16.14
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018429574	1	34	0.0	-35.36	304.72	4.38	-30.98
CC1=CC(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300018429575	0	48	0.0	-29.64	396.58	11.45	-18.19
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC1C1=CC=C(Cl)C=C1	REAL300018429576	0	42	0.0	-32.43	355.56	9.51	-22.92
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018429577	0	41	0.0	-36.02	348.51	10.17	-25.85
CC(C)(C)C1CCCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC1	REAL300018429578	0	50	0.0	-31.21	359.87	8.56	-22.65
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018429579	0	35	0.0	-28.24	313.86	7.31	-20.93
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018429580	0	39	0.0	-34.80	343.93	7.26	-27.54
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018429581	0	39	0.0	-31.26	343.47	5.02	-26.24
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(Br)=C1	REAL300018429582	0	36	0.0	-21.38	325.68	6.67	-14.71
COCC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429583	0	39	0.0	-25.37	334.98	6.55	-18.82
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429584	0	42	0.0	-27.48	377.30	9.21	-18.27
CN(C)CC1=NC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CS1	REAL300018429585	0	39	0.0	-28.36	340.96	3.31	-25.05
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018429586	0	43	0.0	-30.75	381.48	10.86	-19.89
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300018429587	0	42	0.0	-24.38	356.16	7.68	-16.70
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429588	0	49	0.0	-30.08	354.14	6.75	-23.33
COC1=CC(C)=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OC	REAL300018429589	0	43	0.0	-29.56	351.01	6.46	-23.10
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018429590	0	39	0.0	-22.72	322.95	8.83	-13.89
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300018429591	0	34	0.0	-22.29	341.06	8.81	-13.48
CC1=C(Br)C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])S1	REAL300018429592	0	32	0.0	-24.93	314.66	7.41	-17.52
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300018429593	0	50	0.0	-28.61	417.51	9.44	-19.17
O=C([O-])C(CC1=NC=CS1)[NH2+]CCC1=CC=C(F)C=C1F	REAL300018429594	0	35	0.0	-31.83	312.93	7.59	-24.24
CC1=CC(C)=CC(CC[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429595	0	41	0.0	-32.93	345.21	8.86	-24.07
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300018429596	0	39	0.0	-30.41	351.18	7.30	-23.11
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCCC1C1=CC=CC=C1Cl	REAL300018429597	0	45	0.0	-22.17	344.00	10.17	-12.00
COC1=CC=C(CC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1OC	REAL300018429598	0	49	0.0	-34.63	382.48	7.32	-27.31
COC1=CC=C(N2C=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=N2)C=C1	REAL300018429599	0	43	0.0	-35.07	369.20	7.27	-27.80
CC(CCC1=CSC=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429600	0	38	0.0	-29.63	326.41	7.77	-21.86
COCCC1=CC=C(OCC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429601	0	49	0.0	-32.49	397.62	7.36	-25.13
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429602	0	41	0.0	-33.19	353.70	9.30	-23.89
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429603	0	42	0.0	-33.37	369.45	9.19	-24.18
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429604	0	47	0.0	-29.94	401.09	10.12	-19.82
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C(F)C=NC=C1Br	REAL300018429605	0	31	0.0	-22.67	299.92	5.65	-17.02
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018429606	0	45	0.0	-32.59	372.87	10.10	-22.49
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300018429607	0	45	0.0	-33.32	377.60	10.01	-23.31
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300018429608	0	36	0.0	-27.93	327.87	5.73	-22.20
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018429609	0	38	0.0	-30.38	336.10	5.06	-25.32
CN1N=CC2=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CN=C21	REAL300018429610	0	37	0.0	-35.64	325.20	5.89	-29.75
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429611	0	41	0.0	-28.36	348.29	8.95	-19.41
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429612	0	42	0.0	-21.62	367.65	9.49	-12.13
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429613	0	36	0.0	-22.59	339.08	8.44	-14.15
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429614	0	52	0.0	-28.77	402.66	8.86	-19.91
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429615	0	44	0.0	-34.57	371.14	9.67	-24.90
COCC(CC1CCOCC1)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429616	0	46	0.0	-26.79	357.59	5.06	-21.73
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC1C1=CC=CC=C1Cl	REAL300018429617	0	42	0.0	-27.70	351.41	9.41	-18.29
CN1CCN(C2=NC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=N2)CC1	REAL300018429618	0	47	0.0	-32.21	384.25	5.04	-27.17
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018429619	0	43	0.0	-32.22	368.41	10.20	-22.02
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300018429622	0	45	0.0	-29.90	368.00	10.24	-19.66
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300018429624	0	47	0.0	-20.95	368.76	8.61	-12.34
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2COCCC2C1	REAL300018429625	0	43	0.0	-26.41	332.82	6.23	-20.18
CC1(C)CC2(CC([NH2+]C(CC3=NC=CS3)C(=O)[O-])C2)CO1	REAL300018429626	0	43	0.0	-31.72	343.65	6.23	-25.49
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018429627	0	40	0.0	-31.47	325.41	7.01	-24.46
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018429628	0	39	0.0	-33.54	323.74	7.92	-25.62
CN1C=NC2=CC=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=C21	REAL300018429629	0	38	0.0	-27.87	318.32	8.07	-19.80
COC1=CC=C(C)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429630	0	39	0.0	-26.64	321.85	6.57	-20.07
CC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1C	REAL300018429633	0	41	0.0	-24.47	331.63	8.62	-15.85
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429634	0	44	0.0	-23.73	329.10	9.29	-14.44
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018429635	0	42	0.0	-25.10	338.13	7.31	-17.79
COC1=CC=C2SC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CC2=C1	REAL300018429636	0	39	0.0	-28.54	346.50	7.54	-21.00
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018429637	1	38	0.0	-31.65	334.88	7.98	-23.67
CCN1CCC2=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=CC=C21	REAL300018429638	0	44	0.0	-28.54	358.87	7.34	-21.20
CC1(C)CC2(CO1)CCC([NH2+]C(CC1=NC=CS1)C(=O)[O-])CC2	REAL300018429639	0	49	0.0	-29.39	365.32	7.17	-22.22
CSC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1Cl	REAL300018429640	0	36	0.0	-32.17	334.79	8.18	-23.99
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1C1CC1	REAL300018429641	0	42	0.0	-27.63	346.59	9.33	-18.30
COC1=CC=CC2=C1CCCC([NH2+]C(CC1=NC=CS1)C(=O)[O-])C2	REAL300018429642	0	46	0.0	-34.80	359.14	8.12	-26.68
CCOC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=N1	REAL300018429643	0	38	0.0	-29.47	329.82	4.40	-25.07
CC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1C1CC1	REAL300018429644	0	42	0.0	-27.78	347.32	9.38	-18.40
CC1=NN(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C(C)=C2)C=C1	REAL300018429645	0	45	0.0	-27.84	375.59	9.15	-18.69
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018429646	0	38	0.0	-30.16	350.76	8.59	-21.57
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429647	0	42	0.0	-26.35	370.27	9.13	-17.22
CC1=NN(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=C2)C=C1Cl	REAL300018429648	0	42	0.0	-34.18	376.48	9.00	-25.18
CC1OC2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=C2C1C	REAL300018429650	0	43	0.0	-30.09	352.97	7.82	-22.27
CC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OC(F)F	REAL300018429651	0	39	0.0	-28.60	340.22	7.08	-21.52
CC(C)C1=CC=C(O)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429652	0	42	0.0	-28.32	347.45	6.02	-22.30
CC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])NN=C1C(F)(F)F	REAL300018429653	0	35	0.0	-28.50	319.80	4.76	-23.74
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018429655	0	38	0.0	-36.23	331.61	5.80	-30.43
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018429656	0	37	0.0	-31.73	315.42	6.55	-25.18
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018429658	0	40	0.0	-29.94	334.60	6.84	-23.10
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1C1CCC1	REAL300018429659	0	42	0.0	-22.40	337.02	9.06	-13.34
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2CCOCC2)=N1	REAL300018429660	0	46	0.0	-28.05	379.86	6.04	-22.01
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018429661	0	40	0.0	-33.29	345.17	6.60	-26.69
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018429662	0	46	0.0	-26.70	384.55	8.90	-17.80
CSC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429663	0	36	0.0	-30.58	319.78	7.73	-22.85
CC(C)(C)N1N=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429664	0	41	0.0	-23.13	325.18	6.26	-16.87
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018429665	0	39	0.0	-33.00	334.34	8.78	-24.22
CC(C)C1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])N(C)N=C1	REAL300018429666	0	41	0.0	-26.20	344.20	6.40	-19.80
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018429667	0	39	0.0	-27.06	338.68	8.98	-18.08
CCC([NH2+]C(CC1=NC=CS1)C(=O)[O-])C(C)CC1=CC=CC=C1	REAL300018429668	0	47	0.0	-30.74	358.09	9.67	-21.07
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018429669	0	39	0.0	-26.04	347.27	9.15	-16.89
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018429670	0	40	0.0	-29.69	341.43	7.73	-21.96
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018429671	0	36	0.0	-23.42	333.63	6.71	-16.71
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018429672	0	38	0.0	-32.08	350.76	8.59	-23.49
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300018429673	0	45	0.0	-30.15	377.26	9.92	-20.23
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=C2)C=N1	REAL300018429674	0	45	0.0	-34.38	377.29	10.32	-24.06
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018429675	0	46	0.0	-27.30	374.54	10.74	-16.56
CC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300018429677	0	38	0.0	-27.88	334.61	8.05	-19.83
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429678	0	38	0.0	-26.83	325.10	8.56	-18.27
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429679	0	42	0.0	-28.13	362.15	8.04	-20.09
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429680	0	43	0.0	-28.60	352.28	7.25	-21.35
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300018429681	0	35	0.0	-25.99	339.90	9.01	-16.98
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018429682	0	35	0.0	-31.24	321.84	5.79	-25.45
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C(F)(F)F)=N1	REAL300018429684	0	35	0.0	-24.02	316.70	5.60	-18.42
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018429685	0	37	0.0	-29.60	323.22	7.33	-22.27
COC1=NC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1C	REAL300018429686	0	38	0.0	-29.20	327.22	4.21	-24.99
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018429687	0	35	0.0	-34.36	316.71	7.62	-26.74
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018429688	0	40	0.0	-24.17	326.65	6.82	-17.35
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429689	0	39	0.0	-24.37	348.80	7.70	-16.67
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300018429690	0	39	0.0	-25.71	342.42	6.75	-18.96
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018429691	1	39	0.0	-26.44	324.19	7.65	-18.79
CCC(C)N1N=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429692	0	41	0.0	-24.03	339.24	6.55	-17.48
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018429693	0	45	0.0	-28.83	365.54	7.81	-21.02
COC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300018429694	0	48	0.0	-22.56	375.53	8.64	-13.92
CN1C=C(Br)N=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429695	0	32	0.0	-22.75	301.27	5.67	-17.08
COC1=CC(C)=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300018429696	0	38	0.0	-27.54	324.38	4.22	-23.32
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018429697	1	34	0.0	-24.80	313.74	6.35	-18.45
COC1=CC=CC(C2CC([NH2+]C(CC3=NC=CS3)C(=O)[O-])C2)=C1	REAL300018429698	0	43	0.0	-26.87	352.61	7.90	-18.97
CC1=NOC(C2CC([NH2+]C(CC3=NC=CS3)C(=O)[O-])C2)=N1	REAL300018429699	0	37	0.0	-28.54	319.31	4.31	-24.23
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2CCOCC2)C1	REAL300018429700	0	43	0.0	-27.35	341.56	6.55	-20.80
CC1=CC(C)=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1Br	REAL300018429701	0	41	0.0	-26.86	345.08	8.74	-18.12
O=C([O-])C(CC1=NC=CS1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018429702	0	39	0.0	-36.02	336.67	6.67	-29.35
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018429703	0	45	0.0	-28.16	372.00	10.28	-17.88
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429704	0	42	0.0	-31.23	375.75	7.49	-23.74
COC1=CC=C(CC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300018429705	0	45	0.0	-33.19	350.69	7.27	-25.92
CCC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=NN1CC	REAL300018429706	0	41	0.0	-26.91	338.58	6.62	-20.29
CC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300018429707	0	35	0.0	-24.92	320.23	6.53	-18.39
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429708	0	38	0.0	-30.79	332.77	8.24	-22.55
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018429709	0	38	0.0	-30.37	343.81	7.53	-22.84
CN1C=C(C2=NNC=C2C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=N1	REAL300018429710	0	39	0.0	-33.28	341.36	4.55	-28.73
COC1=CC=C(CCC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C)=C1	REAL300018429711	0	48	0.0	-31.91	381.25	8.61	-23.30
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC2CCCCCC2C1	REAL300018429712	0	45	0.0	-28.89	333.01	8.30	-20.59
CC1CCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])CC2=CC=CC=C21	REAL300018429713	0	45	0.0	-34.00	342.30	9.02	-24.98
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018429714	0	39	0.0	-29.88	346.45	9.18	-20.70
CCOC1=CC(CCC(C)[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1O	REAL300018429715	0	49	0.0	-34.56	399.84	6.92	-27.64
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018429716	0	38	0.0	-23.74	337.59	9.47	-14.27
COC1=C(C)C(C)=C(OC)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300018429717	0	49	0.0	-25.88	391.83	7.34	-18.54
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300018429718	0	49	0.0	-21.73	389.39	9.65	-12.08
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300018429719	0	43	0.0	-29.91	384.98	10.07	-19.84
C=CCC1=CC=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429720	0	39	0.0	-22.82	327.05	8.70	-14.12
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018429721	0	52	0.0	-26.42	408.26	10.20	-16.22
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])C=C2)=C1	REAL300018429722	0	47	0.0	-34.03	399.09	8.91	-25.12
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429723	0	47	0.0	-34.59	399.79	9.53	-25.06
COCC1=CC=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429724	0	39	0.0	-24.70	328.53	6.73	-17.97
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300018429725	0	45	0.0	-26.32	391.19	11.61	-14.71
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300018429726	0	36	0.0	-30.44	335.96	8.17	-22.27
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018429727	0	40	0.0	-29.56	334.59	6.84	-22.72
CC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300018429728	0	38	0.0	-27.45	340.46	8.96	-18.49
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018429729	0	38	0.0	-29.35	334.53	4.99	-24.36
COC1=CC=C(F)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1OC	REAL300018429730	0	40	0.0	-28.31	345.19	6.05	-22.26
CCN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2CC2)=N1	REAL300018429731	0	42	0.0	-26.16	358.47	7.75	-18.41
COC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1OCCO	REAL300018429732	0	44	0.0	-34.73	372.86	3.79	-30.94
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300018429733	0	42	0.0	-25.04	364.67	5.80	-19.24
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429734	0	40	0.0	-28.83	320.47	6.31	-22.52
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018429735	0	37	0.0	-32.18	321.88	7.23	-24.95
COC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300018429736	0	51	0.0	-33.13	417.24	7.34	-25.79
CC1=CC2=CC=CC(C[NH2+]C(CC3=NC=CS3)C(=O)[O-])=C2O1	REAL300018429737	0	38	0.0	-31.77	328.80	7.86	-23.91
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300018429738	0	35	0.0	-30.80	313.72	7.92	-22.88
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300018429739	0	39	0.0	-32.85	355.79	7.53	-25.32
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CON=C1C1CCC1	REAL300018429740	0	38	0.0	-30.91	323.59	6.77	-24.14
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018429741	0	35	0.0	-32.72	323.86	7.75	-24.97
CC(C)OC1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1F	REAL300018429742	0	42	0.0	-33.85	355.07	7.64	-26.21
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1	REAL300018429743	0	45	0.0	-25.10	369.74	7.98	-17.12
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=NN1CC(F)F	REAL300018429744	0	35	0.0	-27.22	310.62	5.63	-21.59
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018429746	0	39	0.0	-31.82	346.12	8.04	-23.78
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018429748	0	35	0.0	-30.50	317.13	5.65	-24.85
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018429749	0	36	0.0	-34.07	327.99	6.34	-27.73
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300018429750	0	37	0.0	-24.76	343.11	8.04	-16.72
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018429752	0	35	0.0	-25.83	315.84	7.30	-18.53
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018429753	0	35	0.0	-25.31	326.14	7.74	-17.57
COC1=CC=CC(CN2CCC([NH2+]C(CC3=NC=CS3)C(=O)[O-])CC2)=C1	REAL300018429754	0	51	0.0	-30.67	400.22	6.40	-24.27
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CN=C2C=C(Br)C=CN12	REAL300018429756	0	35	0.0	-26.69	330.23	7.95	-18.74
CC1=CC(Br)=CC(C)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429757	0	38	0.0	-25.90	330.10	8.27	-17.63
CN1N=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1C1=CC=CO1	REAL300018429758	0	39	0.0	-29.78	341.54	6.14	-23.64
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300018429759	0	35	0.0	-23.44	318.09	5.83	-17.61
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018429760	0	48	0.0	-27.53	381.40	10.52	-17.01
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429761	0	42	0.0	-30.81	348.57	7.12	-23.69
COC1=CC=CC=C1C=CC[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429762	0	40	0.0	-33.82	340.30	7.40	-26.42
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018429763	0	40	0.0	-32.08	348.75	7.06	-25.02
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429764	0	39	0.0	-26.96	342.94	6.07	-20.89
CC(C)(C)N1CCCC([NH2+]C(CC2=NC=CS2)C(=O)[O-])C1	REAL300018429765	0	46	0.0	-29.94	343.97	5.26	-24.68
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018429766	0	45	0.0	-30.12	383.68	11.22	-18.90
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018429767	0	43	0.0	-33.24	353.42	7.53	-25.71
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018429768	0	41	0.0	-29.45	351.66	8.50	-20.95
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429769	0	53	0.0	-22.68	407.27	9.14	-13.54
CC1=CC=C(C2CCC([NH2+]C(CC3=NC=CS3)C(=O)[O-])CC2)C=C1	REAL300018429770	0	48	0.0	-27.42	369.41	10.44	-16.98
COC1=CC(C)=CC(OC)=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429771	0	43	0.0	-28.09	358.60	6.14	-21.95
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018429772	0	36	0.0	-31.74	342.91	7.10	-24.64
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300018429773	0	42	0.0	-31.59	369.46	9.58	-22.01
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018429774	0	35	0.0	-29.53	316.49	8.09	-21.44
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018429775	0	41	0.0	-31.94	348.97	8.38	-23.56
CC1=CC=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C(F)(F)F	REAL300018429776	0	38	0.0	-32.11	325.08	8.34	-23.77
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018429777	0	35	0.0	-36.03	307.13	5.46	-30.57
CCC(C)C1=CC=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=C1	REAL300018429778	0	44	0.0	-27.59	358.23	9.31	-18.28
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC2(C1)CCOCC2	REAL300018429779	0	43	0.0	-26.24	329.86	6.04	-20.20
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018429781	0	42	0.0	-23.16	335.26	9.18	-13.98
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429782	0	39	0.0	-29.99	340.06	8.62	-21.37
COC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=CC(Br)=C1F	REAL300018429783	0	36	0.0	-24.40	338.41	6.96	-17.44
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018429784	0	38	0.0	-39.76	333.25	6.67	-33.09
CC1=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300018429785	0	41	0.0	-26.21	339.55	9.59	-16.62
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429786	0	50	0.0	-25.04	407.26	8.55	-16.49
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300018429787	0	38	0.0	-28.64	345.44	9.52	-19.12
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429788	0	40	0.0	-24.91	343.02	6.32	-18.59
O=C([O-])C(CC1=NC=CS1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018429789	0	45	0.0	-29.60	367.17	3.72	-25.88
CCCN1N=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=C1C	REAL300018429790	0	41	0.0	-28.35	344.59	6.68	-21.67
CC1=CC(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300018429791	0	41	0.0	-32.63	351.69	8.05	-24.58
O=C([O-])C(CC1=NC=CS1)[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018429792	0	42	0.0	-30.65	344.66	9.62	-21.03
CCCN1N=C(C)C=C1C[NH2+]C(CC1=NC=CS1)C(=O)[O-]	REAL300018429793	0	41	0.0	-27.87	338.94	6.50	-21.37
CN1C=C(C[NH2+]C(CC2=NC=CS2)C(=O)[O-])C(C2CCC2)=N1	REAL300018429794	0	42	0.0	-25.34	351.11	7.25	-18.09
CC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])CC1=CC=CC=C1	REAL300018429796	0	45	0.0	-30.72	368.68	12.06	-18.66
CC1(C)CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429797	0	42	0.0	-25.47	326.44	10.21	-15.26
CCC1CCCC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429798	0	48	0.0	-31.92	365.90	11.23	-20.69
COC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429799	0	43	0.0	-28.85	341.24	8.53	-20.32
CC1CCCCC1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429800	0	45	0.0	-29.77	343.55	10.60	-19.17
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018429801	1	41	0.0	-26.50	361.53	9.35	-17.15
CC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C)C1	REAL300018429802	0	45	0.0	-30.99	351.33	10.60	-20.39
CC1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1C	REAL300018429803	0	45	0.0	-30.56	340.03	10.36	-20.20
CC1CC(C)(C)CCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429804	0	48	0.0	-30.75	358.01	10.92	-19.83
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300018429805	0	40	0.0	-33.02	354.21	11.38	-21.64
C=CCCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429806	0	39	0.0	-31.13	321.73	9.65	-21.48
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CC2CCC1C2	REAL300018429807	0	43	0.0	-29.95	337.67	10.70	-19.25
CCC(CC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429808	0	38	0.0	-30.67	305.19	8.93	-21.74
CCN1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429809	0	44	0.0	-31.19	345.51	7.62	-23.57
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2=CC=CC=C2C1	REAL300018429810	0	43	0.0	-29.34	341.89	11.78	-17.56
CCCCCC(CCCCC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429811	0	56	0.0	-31.46	419.09	13.22	-18.24
CC1(C)CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429812	0	45	0.0	-30.59	341.45	10.20	-20.39
CCC(CC1=CC=CS1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429813	0	42	0.0	-32.93	343.44	10.70	-22.23
CCC(CC1=CC=C(C)C=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429814	0	48	0.0	-22.91	352.81	12.10	-10.81
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCOCC1	REAL300018429815	0	40	0.0	-32.49	313.64	7.45	-25.04
CC(C)CCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429816	0	44	0.0	-29.80	343.96	10.31	-19.49
CC(CCC1=CC=C(O)C=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429817	0	46	0.0	-32.75	378.42	9.08	-23.67
CC(CCC1=CC=CO1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429818	0	42	0.0	-27.45	342.43	10.57	-16.88
CC(CC1=CC=C(F)C=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429819	0	42	0.0	-25.45	345.59	11.59	-13.86
CC(CCN1C=CC=N1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429820	0	42	0.0	-34.81	350.26	9.38	-25.43
COCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429821	0	36	0.0	-27.20	300.83	6.73	-20.47
CC(CC1=CC=C(Cl)C=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429822	0	42	0.0	-24.94	356.21	12.06	-12.88
COCCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429823	0	39	0.0	-30.13	321.09	7.39	-22.74
CC(CN1C=CC=N1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429824	0	39	0.0	-28.55	322.43	8.86	-19.69
CC(CCC1=CC=C(F)C=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429825	0	45	0.0	-34.12	377.63	12.14	-21.98
CC(CC1CC1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429826	0	39	0.0	-23.85	311.25	10.19	-13.66
CC(CC1CCOCC1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429827	0	46	0.0	-28.09	355.64	9.39	-18.70
CC(CCC1CCCCC1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429828	0	51	0.0	-30.38	382.87	11.89	-18.49
CC(CCC1=CC=CC=C1F)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429829	0	45	0.0	-33.47	370.70	12.10	-21.37
CC(CC1CCCC1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429830	0	45	0.0	-30.31	349.88	10.54	-19.77
CC(C)C1=CC=C(CC[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018429831	0	48	0.0	-34.42	395.40	12.81	-21.61
CC(CC1CCOC1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429832	0	43	0.0	-32.73	337.27	8.27	-24.46
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC(C(F)(F)F)CC1	REAL300018429833	0	42	0.0	-29.71	343.09	10.57	-19.14
CC1=CN2C=C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])N=C2C=C1	REAL300018429834	0	42	0.0	-35.54	360.33	11.17	-24.37
CC(CCC(C)(C)C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429835	0	47	0.0	-30.66	364.15	10.78	-19.88
CN1N=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018429836	1	34	0.0	-29.99	303.56	5.78	-24.21
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2OC=CC2=C1	REAL300018429837	0	39	0.0	-31.81	338.62	10.32	-21.49
C[NH+](C)CC1=CN=C(CNC(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018429838	1	43	0.0	-72.84	375.17	7.95	-64.89
COCC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=NO1	REAL300018429839	0	39	0.0	-34.64	342.66	7.23	-27.41
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1=CC=C(Cl)C=C1	REAL300018429840	0	39	0.0	-36.47	351.90	11.40	-25.07
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N(C)N=C1	REAL300018429841	0	39	0.0	-28.57	330.50	7.97	-20.60
CC(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N=N1	REAL300018429842	0	41	0.0	-37.22	349.13	7.90	-29.32
CN(C)CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=NO1	REAL300018429843	0	43	0.0	-33.39	364.22	6.99	-26.40
CN(C)C1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429844	0	43	0.0	-27.36	357.68	9.54	-17.82
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=CC=N1	REAL300018429845	0	34	0.0	-33.26	303.09	6.37	-26.89
CCOC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1SC	REAL300018429846	0	44	0.0	-25.38	371.58	9.48	-15.90
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429847	0	40	0.0	-30.28	348.91	9.38	-20.90
CC1(C2=CC=CC=C2)CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429848	0	46	0.0	-31.13	371.93	12.47	-18.66
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300018429849	0	39	0.0	-32.78	346.77	8.82	-23.96
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300018429850	0	46	0.0	-29.39	379.44	12.70	-16.69
CC1=NOC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429851	0	35	0.0	-33.99	310.86	7.94	-26.05
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=CS1	REAL300018429852	0	36	0.0	-28.09	319.26	9.72	-18.37
CC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018429853	1	35	0.0	-27.07	320.11	7.99	-19.08
COCC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429854	0	46	0.0	-25.99	360.72	9.55	-16.44
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2CCCC2=N1	REAL300018429855	0	42	0.0	-33.36	353.86	10.09	-23.27
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NN1C1CCCC1	REAL300018429856	0	46	0.0	-27.94	376.36	10.47	-17.47
CCN1N=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018429857	0	38	0.0	-33.21	332.07	7.10	-26.11
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300018429858	0	43	0.0	-29.19	361.65	12.17	-17.02
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCN(C2CC2)CC1	REAL300018429859	0	45	0.0	-26.19	345.51	8.46	-17.73
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N=N1	REAL300018429860	0	37	0.0	-37.19	323.59	7.73	-29.46
CCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1O	REAL300018429861	0	43	0.0	-27.39	364.68	8.77	-18.62
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300018429862	0	42	0.0	-33.53	357.91	9.22	-24.31
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1OC	REAL300018429863	0	44	0.0	-33.12	370.83	9.22	-23.90
CC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429864	0	39	0.0	-27.50	326.04	10.61	-16.89
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018429865	0	42	0.0	-29.37	356.28	11.50	-17.87
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1C	REAL300018429866	0	42	0.0	-28.70	350.50	11.22	-17.48
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018429867	0	36	0.0	-31.27	316.10	7.86	-23.41
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429868	0	39	0.0	-28.98	350.24	8.66	-20.32
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018429869	0	43	0.0	-32.20	364.76	10.29	-21.91
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=C1OCO2	REAL300018429870	0	39	0.0	-27.37	338.08	8.67	-18.70
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCCCCC1	REAL300018429871	0	45	0.0	-32.71	333.87	10.29	-22.42
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CSN=N1	REAL300018429872	0	31	0.0	-36.14	290.71	6.40	-29.74
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CC=CCC1	REAL300018429873	0	40	0.0	-30.81	327.89	10.19	-20.62
CCC(CC)C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429874	0	41	0.0	-29.94	324.99	9.66	-20.28
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCCCC1	REAL300018429875	0	42	0.0	-30.14	335.39	10.27	-19.87
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300018429876	0	36	0.0	-33.38	334.68	10.58	-22.80
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300018429877	0	36	0.0	-31.43	336.67	10.47	-20.96
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300018429878	0	36	0.0	-32.23	327.21	10.08	-22.15
CC1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429879	0	39	0.0	-33.40	336.80	8.33	-25.07
CCC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC=C1	REAL300018429880	0	45	0.0	-31.89	366.79	11.92	-19.97
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300018429881	0	40	0.0	-33.46	348.01	11.19	-22.27
CCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429882	0	39	0.0	-29.11	328.27	8.34	-20.77
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C2=CC=CC=C2O1	REAL300018429883	0	42	0.0	-27.25	359.27	11.12	-16.13
CN1C=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018429884	0	37	0.0	-28.23	318.59	9.65	-18.58
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=COC2=CC=CC=C12	REAL300018429885	0	39	0.0	-31.76	338.50	10.20	-21.56
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=C2C=NC=CN12	REAL300018429886	0	38	0.0	-34.34	336.03	8.61	-25.73
CC1=CN2C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])=CN=C2C=C1	REAL300018429887	0	42	0.0	-30.06	361.46	11.15	-18.91
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300018429888	0	38	0.0	-33.61	346.25	9.42	-24.19
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429889	0	42	0.0	-27.81	363.91	11.59	-16.22
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C(C)O1	REAL300018429890	0	39	0.0	-27.41	332.96	9.60	-17.81
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCOC2=CC=CC=C21	REAL300018429891	0	44	0.0	-36.65	360.41	10.47	-26.18
CC1CCC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429892	0	45	0.0	-30.19	349.23	10.67	-19.52
CCCC(CCC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429893	0	44	0.0	-31.36	349.47	10.52	-20.84
CC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1C	REAL300018429894	0	45	0.0	-31.71	339.77	10.17	-21.54
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429895	0	39	0.0	-29.03	342.61	10.97	-18.06
CC(CCC1CC1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429896	0	42	0.0	-24.78	333.92	10.95	-13.83
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC=C(Cl)S1	REAL300018429897	0	32	0.0	-26.93	315.24	7.81	-19.12
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018429898	0	43	0.0	-31.60	373.77	11.88	-19.72
CC(C)(C)CC[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429899	0	41	0.0	-31.71	330.11	9.48	-22.23
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCSCC1=CC=CC=C1	REAL300018429900	0	43	0.0	-35.78	379.49	12.17	-23.61
CCCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018429901	0	45	0.0	-28.88	376.47	12.23	-16.65
CC1=CCCC(C)C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429902	0	46	0.0	-22.23	347.76	11.68	-10.55
CCC(COC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429903	0	39	0.0	-26.53	319.42	7.59	-18.94
CCCCC(COC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429904	0	45	0.0	-27.93	355.41	9.75	-18.18
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300018429905	0	36	0.0	-31.75	337.60	10.54	-21.21
CC(C)OC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429906	0	43	0.0	-36.63	356.43	9.04	-27.59
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018429907	0	39	0.0	-31.95	338.28	6.68	-25.27
CN1N=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429908	0	36	0.0	-25.27	327.28	7.87	-17.40
CC(CC1=CC=CC=C1F)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429909	0	42	0.0	-26.71	342.91	11.53	-15.18
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCC=CO1	REAL300018429910	0	38	0.0	-31.54	316.79	8.25	-23.29
CC(CC[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC=C1	REAL300018429911	0	45	0.0	-31.60	369.25	11.91	-19.69
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1CCCCC1	REAL300018429912	0	45	0.0	-32.38	355.68	11.01	-21.37
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])C=C2C=C1	REAL300018429913	0	44	0.0	-32.72	376.10	11.03	-21.69
CC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300018429914	0	42	0.0	-31.77	363.98	11.79	-19.98
CC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=C(F)C=C1	REAL300018429915	0	42	0.0	-34.01	352.97	11.17	-22.84
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1CCOC1	REAL300018429916	0	40	0.0	-35.67	328.83	7.82	-27.85
CC1CC1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429917	0	36	0.0	-31.18	306.83	9.33	-21.85
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300018429918	0	36	0.0	-27.10	335.70	10.60	-16.50
CC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC=C1	REAL300018429919	0	42	0.0	-33.06	350.42	11.26	-21.80
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=COC=N1	REAL300018429920	0	32	0.0	-35.23	288.80	4.66	-30.57
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(CCCO2)CC1	REAL300018429921	0	47	0.0	-31.49	360.80	9.34	-22.15
CCC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429922	0	42	0.0	-28.20	364.21	11.58	-16.62
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCCCC1	REAL300018429923	0	45	0.0	-30.09	339.11	10.61	-19.48
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCC1	REAL300018429924	0	39	0.0	-31.03	318.25	9.41	-21.62
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018429925	0	39	0.0	-33.23	339.20	6.67	-26.56
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N=N1	REAL300018429926	0	44	0.0	-37.23	368.82	8.47	-28.76
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018429927	0	46	0.0	-29.74	381.02	10.60	-19.14
CC(C)=CCCC(C)CC[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429928	0	51	0.0	-30.46	402.60	12.24	-18.22
C#CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018429929	0	38	0.0	-30.53	338.50	11.18	-19.35
CC(C)C1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CS1	REAL300018429930	0	43	0.0	-29.08	345.56	10.73	-18.35
CC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429931	0	42	0.0	-31.00	324.66	9.78	-21.22
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCCCC1	REAL300018429932	0	42	0.0	-31.76	323.31	9.83	-21.93
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC=N1	REAL300018429933	0	38	0.0	-24.64	315.24	9.27	-15.37
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCCC1	REAL300018429934	0	39	0.0	-25.49	306.98	9.85	-15.64
CC(C)(C)C1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429935	0	51	0.0	-27.70	375.49	11.53	-16.17
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCSC1	REAL300018429936	0	34	0.0	-29.05	285.94	8.82	-20.23
CCCC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429937	0	48	0.0	-23.24	361.00	12.06	-11.18
CC1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429938	0	42	0.0	-30.02	330.20	9.80	-20.22
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCSCC1	REAL300018429939	0	37	0.0	-26.88	305.83	9.36	-17.52
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CCC1C2	REAL300018429940	0	40	0.0	-31.40	316.49	9.92	-21.48
CC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429941	0	39	0.0	-30.83	315.05	9.52	-21.31
CCCCCCC1CCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429942	0	54	0.0	-29.50	413.10	12.80	-16.70
CC1OCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429943	0	37	0.0	-28.73	300.72	7.43	-21.30
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCSC1	REAL300018429944	0	37	0.0	-34.74	310.83	9.12	-25.62
CC1(C)CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429945	0	45	0.0	-25.81	339.13	10.52	-15.29
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCOC1	REAL300018429946	0	34	0.0	-33.04	286.00	6.39	-26.65
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCC(C2CC2)C1	REAL300018429947	0	46	0.0	-30.22	360.04	11.25	-18.97
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CC1C1CCCC21	REAL300018429949	0	47	0.0	-31.77	348.06	11.11	-20.66
CC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCO1	REAL300018429950	0	40	0.0	-26.10	315.29	8.01	-18.09
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NN(C(F)F)C=C1	REAL300018429951	0	36	0.0	-28.14	326.06	7.67	-20.47
CC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429952	0	39	0.0	-27.89	332.28	10.53	-17.36
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC(F)=CC=C1O	REAL300018429953	0	37	0.0	-27.66	326.64	7.09	-20.57
CC(C)C1CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCO1	REAL300018429954	0	49	0.0	-30.40	381.75	9.87	-20.53
CCC1CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCO1	REAL300018429955	0	46	0.0	-30.58	364.73	9.35	-21.23
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=C1Cl	REAL300018429956	0	39	0.0	-30.36	348.86	11.16	-19.20
CC(C)N1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429957	1	47	0.0	-30.48	361.98	8.27	-22.21
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C)=N1	REAL300018429958	0	45	0.0	-27.92	369.08	7.64	-20.28
CC(CCC1=CC=CC=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429959	0	45	0.0	-31.91	364.83	12.05	-19.86
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC(C2=CC=CC=C2)C1	REAL300018429960	0	43	0.0	-31.09	349.35	11.39	-19.70
CC1=CC=C(C2CC([NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])C2)C=C1	REAL300018429961	0	46	0.0	-32.90	377.66	12.50	-20.40
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC(C2=CC=CC(F)=C2)C1	REAL300018429962	0	43	0.0	-31.89	362.41	11.83	-20.06
CC1=CC=CC=C1C1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429963	0	46	0.0	-32.33	371.33	12.28	-20.05
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC(C2=CC=CC=C2F)C1	REAL300018429964	0	43	0.0	-34.01	357.18	11.66	-22.35
CCOC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C12CCC2	REAL300018429965	0	47	0.0	-30.10	377.58	10.09	-20.01
CCOC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018429966	0	40	0.0	-36.72	335.60	8.27	-28.45
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018429967	0	45	0.0	-30.90	380.06	10.15	-20.75
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCN(CC(F)F)CC1	REAL300018429968	0	44	0.0	-34.73	348.67	7.45	-27.28
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCCC1CCCCC1	REAL300018429969	0	48	0.0	-31.69	376.20	11.79	-19.90
COC1(CC(C)[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCC1	REAL300018429970	0	46	0.0	-23.82	334.22	9.81	-14.01
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CC2=CC=CC=C2C1	REAL300018429971	0	43	0.0	-34.10	356.87	11.88	-22.22
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1Cl	REAL300018429972	0	39	0.0	-28.33	347.55	11.13	-17.20
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=C1C	REAL300018429973	0	43	0.0	-29.59	361.66	10.06	-19.53
CC(O)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018429974	0	39	0.0	-33.09	352.62	5.44	-27.65
C=CN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018429975	0	37	0.0	-32.41	328.99	8.95	-23.46
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC(Cl)=CS1	REAL300018429976	0	33	0.0	-28.44	317.67	9.44	-19.00
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C(Cl)C=CS1	REAL300018429977	0	33	0.0	-27.40	316.08	9.36	-18.04
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1F	REAL300018429978	0	43	0.0	-35.10	369.67	10.32	-24.78
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=CC=C2N1	REAL300018429979	0	40	0.0	-31.87	346.26	9.89	-21.98
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018429980	1	44	0.0	-26.44	379.72	9.85	-16.59
CSC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018429981	0	37	0.0	-28.67	347.89	10.27	-18.40
CC1COCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429982	0	40	0.0	-29.82	315.90	7.76	-22.06
CC(C)C(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC=C1	REAL300018429983	0	48	0.0	-27.22	388.47	12.28	-14.94
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCOCC1	REAL300018429984	0	43	0.0	-29.86	332.09	8.01	-21.85
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCOC1	REAL300018429985	0	40	0.0	-35.17	323.30	7.49	-27.68
CC(C)CC(C)C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429986	0	44	0.0	-28.74	347.00	10.21	-18.53
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1CCCCCC1	REAL300018429987	0	48	0.0	-32.44	367.13	11.45	-20.99
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])NN=C1	REAL300018429988	0	36	0.0	-30.67	312.46	7.09	-23.58
CC1=CNN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429988	1	36	0.0	-32.62	314.20	7.09	-25.53
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429989	0	45	0.0	-32.31	377.02	9.72	-22.59
CN1C(Cl)=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429990	0	36	0.0	-32.87	330.38	8.81	-24.06
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1F	REAL300018429991	0	40	0.0	-28.21	348.27	9.39	-18.82
CCC1=CC(OC)=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429992	0	46	0.0	-27.81	369.91	10.27	-17.54
CSC1(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018429993	0	37	0.0	-21.98	319.62	9.99	-11.99
CSC1(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCC1	REAL300018429994	0	40	0.0	-28.33	331.12	9.74	-18.59
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CO1	REAL300018429995	0	33	0.0	-31.27	294.14	8.19	-23.08
COC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1OC	REAL300018429996	0	44	0.0	-27.04	372.18	9.32	-17.72
CN1C=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429997	0	36	0.0	-26.27	311.73	8.37	-17.90
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NNC=C1	REAL300018429998	0	33	0.0	-27.68	290.47	6.22	-21.46
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NN1	REAL300018429998	1	33	0.0	-30.56	290.46	6.19	-24.37
CC1=NNC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018429999	0	36	0.0	-29.48	310.76	7.06	-22.42
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=NN1	REAL300018429999	1	36	0.0	-32.83	312.47	7.12	-25.71
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430000	0	39	0.0	-33.61	334.92	8.49	-25.12
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1F	REAL300018430250	0	39	0.0	-28.91	338.80	10.73	-18.18
CC1(C)CCCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430251	0	45	0.0	-30.00	339.67	10.52	-19.48
CC(C)=CCCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430253	0	45	0.0	-31.24	362.42	11.15	-20.09
CC(C)(C)C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430254	0	38	0.0	-29.00	307.82	9.10	-19.90
CC1(C)CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC(C)(C)C1	REAL300018430255	0	51	0.0	-30.78	380.95	11.26	-19.52
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018430256	0	39	0.0	-31.06	349.35	11.55	-19.51
CC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430257	0	46	0.0	-30.26	382.67	10.91	-19.35
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=C1F	REAL300018430258	0	39	0.0	-31.02	340.12	10.76	-20.26
CC1CCC(C)C([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430259	0	45	0.0	-30.03	342.31	10.46	-19.57
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018430260	0	40	0.0	-29.61	344.75	10.07	-19.54
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018430261	0	35	0.0	-39.74	333.45	9.86	-29.88
CC1CC(C)CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430262	0	45	0.0	-25.13	338.14	10.71	-14.42
CC(C)CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430263	0	48	0.0	-28.33	392.40	12.67	-15.66
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC(C)=C1	REAL300018430264	0	42	0.0	-29.15	356.22	11.39	-17.76
CC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430265	0	42	0.0	-26.23	343.79	11.08	-15.15
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC=CS1	REAL300018430266	0	32	0.0	-26.71	296.86	7.16	-19.55
CC(C)C1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430267	0	48	0.0	-25.63	360.18	11.43	-14.20
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=CN=C1	REAL300018430268	0	34	0.0	-32.35	303.03	8.07	-24.28
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018430269	0	41	0.0	-30.36	349.83	10.32	-20.04
CC1CCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430270	0	39	0.0	-24.47	304.15	9.85	-14.62
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCOCC1	REAL300018430271	0	37	0.0	-26.88	295.64	7.24	-19.64
CC(C)CCCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430272	0	47	0.0	-30.57	369.48	11.16	-19.41
CCCCC(CC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430273	0	44	0.0	-30.53	331.76	10.06	-20.47
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430274	0	39	0.0	-29.89	347.00	10.75	-19.14
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CCCOC1	REAL300018430275	0	38	0.0	-29.64	320.64	7.93	-21.71
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430276	0	42	0.0	-27.39	359.80	10.42	-16.97
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018430277	0	41	0.0	-30.68	346.45	9.67	-21.01
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=CS1	REAL300018430278	0	32	0.0	-29.67	295.33	7.06	-22.61
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018430279	0	40	0.0	-28.70	343.25	10.04	-18.66
CN1C=NC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430280	0	36	0.0	-33.32	310.74	8.96	-24.36
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018430281	0	40	0.0	-31.44	343.44	10.05	-21.39
CC1=NN(C)C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430282	0	39	0.0	-30.80	334.64	8.17	-22.63
CC(CC1=CC=CS1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430283	0	39	0.0	-26.97	333.00	10.38	-16.59
CC1=CC(F)=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430284	0	39	0.0	-28.35	328.04	10.37	-17.98
CN(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430285	0	44	0.0	-26.00	362.71	10.02	-15.98
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CSC=N1	REAL300018430286	0	32	0.0	-31.83	295.86	6.98	-24.85
CC1=NNC(C)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430287	0	39	0.0	-28.31	332.56	7.55	-20.76
CC(C)(C)N1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430288	0	45	0.0	-30.16	376.11	9.88	-20.28
CN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430289	0	36	0.0	-28.90	311.65	7.56	-21.34
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430290	0	45	0.0	-30.00	378.61	9.69	-20.31
COC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1Cl	REAL300018430291	0	40	0.0	-33.61	357.62	9.87	-23.74
COC1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430292	0	39	0.0	-32.02	336.40	6.58	-25.44
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018430293	0	41	0.0	-30.00	348.18	10.26	-19.74
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430294	0	35	0.0	-29.72	318.78	7.98	-21.74
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018430295	0	42	0.0	-28.60	356.33	9.27	-19.33
CCCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430296	0	46	0.0	-32.45	387.24	10.97	-21.48
CC(CN1C=NC=N1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430297	0	38	0.0	-36.15	319.84	10.20	-25.95
CC1=C2C=C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])C=NC2=NN1	REAL300018430298	0	41	0.0	-42.17	356.46	8.58	-33.59
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430299	0	37	0.0	-31.28	322.71	7.97	-23.31
CCC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430300	0	38	0.0	-30.04	341.58	8.77	-21.27
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=C2C=CC=CN12	REAL300018430301	0	39	0.0	-30.55	340.23	10.49	-20.06
CN(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430302	0	40	0.0	-29.98	353.46	9.00	-20.98
CC(C)OC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430303	0	46	0.0	-31.38	380.56	10.72	-20.66
CC(C)C1=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CS1	REAL300018430304	0	41	0.0	-26.19	362.14	8.97	-17.22
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CSC(C2CC2)=N1	REAL300018430305	0	39	0.0	-31.84	347.70	9.20	-22.64
CCC1=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CS1	REAL300018430306	0	38	0.0	-32.33	341.33	8.52	-23.81
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430307	0	45	0.0	-28.03	367.65	12.52	-15.51
CC1=CC=CC(CCC(C)[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430308	0	48	0.0	-25.79	382.33	13.17	-12.62
CC1=CC=C(CCC(C)[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430309	0	48	0.0	-26.15	382.64	13.13	-13.02
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC(F)(F)CC1	REAL300018430310	0	39	0.0	-25.44	318.08	9.96	-15.48
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCN(CC2CC2)CC1	REAL300018430311	1	48	0.0	-25.77	368.43	9.16	-16.61
CC(C)(C)C1=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CS1	REAL300018430312	0	44	0.0	-24.86	377.27	9.36	-15.50
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018430313	0	40	0.0	-35.49	348.13	8.44	-27.05
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430314	0	44	0.0	-28.70	378.08	9.77	-18.93
CC(C)CN1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430315	1	50	0.0	-31.15	386.36	9.37	-21.78
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C(C)S1	REAL300018430316	0	39	0.0	-27.13	340.58	10.52	-16.61
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCCC1	REAL300018430317	0	42	0.0	-30.62	332.20	10.17	-20.45
C#CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430318	0	42	0.0	-33.98	371.65	10.74	-23.24
CC(C)(C)N1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430319	1	50	0.0	-24.52	371.16	8.95	-15.57
C=CCCC(CC)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430320	0	42	0.0	-30.55	322.67	9.85	-20.70
CCN1C=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430321	0	39	0.0	-33.36	332.98	9.23	-24.13
CCOCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430322	0	39	0.0	-27.51	323.98	7.74	-19.77
CCCC(CC1=CC=CC=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430323	0	48	0.0	-22.45	349.71	11.89	-10.56
CCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1C	REAL300018430324	0	45	0.0	-32.20	377.09	9.71	-22.49
C=CCC(C)C(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430325	0	42	0.0	-29.29	332.49	10.00	-19.29
CC(C)CCC1CCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430326	0	51	0.0	-31.16	391.50	12.12	-19.04
CCCCC1CCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430327	0	48	0.0	-29.38	370.11	11.24	-18.14
CN1N=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C2=CC=CC=C21	REAL300018430328	0	42	0.0	-33.09	364.33	9.86	-23.23
CN1C=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430329	0	36	0.0	-32.91	314.94	7.74	-25.17
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300018430330	0	39	0.0	-32.72	341.26	8.55	-24.17
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NNC2=CC=CC=C21	REAL300018430330	1	39	0.0	-27.09	339.05	8.64	-18.45
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1F	REAL300018430331	0	44	0.0	-33.53	371.47	9.36	-24.17
CC1=NSC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430332	0	35	0.0	-29.41	319.95	8.47	-20.94
CC(CC1=CSC=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430333	0	39	0.0	-28.92	332.94	10.24	-18.68
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCCCCCC1	REAL300018430334	0	48	0.0	-29.87	357.06	11.13	-18.74
CC1=CSC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430335	1	35	0.0	-26.19	317.83	7.72	-18.47
CC1=NC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430336	0	38	0.0	-30.95	323.22	8.65	-22.30
CC(CSC(C)(C)C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430337	0	45	0.0	-30.60	367.73	10.76	-19.84
CN(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N1C	REAL300018430338	0	44	0.0	-32.80	372.66	9.08	-23.72
CC(C)OCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430339	0	42	0.0	-27.53	344.25	8.50	-19.03
COCC(CC(C)C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430340	0	45	0.0	-32.03	354.27	8.53	-23.50
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCOC1	REAL300018430341	0	37	0.0	-33.23	300.40	6.83	-26.40
CC1(C)CCCC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430342	0	48	0.0	-31.35	369.40	11.17	-20.18
CC1=CC(N(C)C)=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430343	0	47	0.0	-28.21	376.51	10.83	-17.38
CC1(C)CCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430344	0	42	0.0	-29.75	328.71	10.34	-19.41
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018430345	0	43	0.0	-28.24	356.08	11.73	-16.51
CC1=CC=CC=C1CC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430346	0	45	0.0	-23.31	351.45	12.00	-11.31
CC1=CC=CC(CC(C)[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430347	0	45	0.0	-32.51	366.77	11.82	-20.69
COC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])SC=C1	REAL300018430348	0	37	0.0	-28.38	333.51	8.46	-19.92
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1CCOCC1	REAL300018430349	0	43	0.0	-33.46	346.72	8.60	-24.86
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCSCC1	REAL300018430350	0	40	0.0	-33.49	331.84	10.03	-23.46
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCCCCC1	REAL300018430351	0	45	0.0	-30.56	346.59	10.82	-19.74
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018430352	1	42	0.0	-26.15	360.59	9.77	-16.38
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NC=C1Cl	REAL300018430353	0	35	0.0	-26.23	321.58	8.64	-17.59
CC(C)(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])N1CCOCC1	REAL300018430354	0	48	0.0	-29.20	365.94	6.86	-22.34
CCC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCCC1	REAL300018430355	0	45	0.0	-31.13	344.21	10.60	-20.53
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=NN1C	REAL300018430356	0	39	0.0	-32.45	334.43	8.19	-24.26
CCC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430357	0	40	0.0	-33.27	347.37	8.54	-24.73
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=NO1	REAL300018430358	0	35	0.0	-33.48	310.32	8.21	-25.27
CCN1C=NC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430359	0	39	0.0	-28.22	330.17	10.22	-18.00
CC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N1C	REAL300018430360	0	39	0.0	-33.31	332.61	8.98	-24.33
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018430361	0	41	0.0	-31.91	352.25	10.46	-21.45
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018430362	0	39	0.0	-31.54	339.51	8.76	-22.78
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018430363	0	39	0.0	-30.33	339.68	8.75	-21.58
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=C2CCCN12	REAL300018430364	0	40	0.0	-33.28	336.59	9.41	-23.87
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(F)C=N1	REAL300018430365	0	35	0.0	-26.21	311.94	8.06	-18.15
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])SC=N1	REAL300018430366	0	35	0.0	-29.55	317.90	7.68	-21.87
COC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430367	0	40	0.0	-30.72	346.50	9.19	-21.53
CC(CC1=CN=CC=N1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430368	0	40	0.0	-32.24	333.04	8.18	-24.06
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430369	0	46	0.0	-31.90	385.02	10.02	-21.88
CC1=NOC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430370	1	35	0.0	-33.68	309.00	8.20	-25.48
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=CO1	REAL300018430371	0	36	0.0	-26.92	309.58	8.57	-18.35
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(Cl)=C1	REAL300018430372	0	39	0.0	-25.74	347.51	11.17	-14.57
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018430373	0	39	0.0	-34.56	352.75	11.25	-23.31
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NOC=C1	REAL300018430374	0	32	0.0	-33.79	287.05	7.34	-26.45
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018430375	0	46	0.0	-27.09	360.98	12.58	-14.51
CS(=O)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430376	0	41	0.0	-36.53	363.45	8.58	-27.95
CC(C)CCN1C=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430377	0	49	0.0	-28.30	397.61	12.36	-15.94
CCC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCO1	REAL300018430378	0	43	0.0	-30.45	343.11	8.56	-21.89
CC(C)C1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCO1	REAL300018430379	0	46	0.0	-25.69	353.08	9.36	-16.33
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018430380	0	46	0.0	-29.39	376.09	12.55	-16.84
CC(C)CC(C)CC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430381	0	50	0.0	-31.11	382.69	11.54	-19.57
CCC1CCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430382	0	39	0.0	-24.27	302.15	10.13	-14.14
CC1=CC=C(C(C)C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430383	0	45	0.0	-33.14	371.08	12.08	-21.06
COCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])O1	REAL300018430384	0	40	0.0	-33.70	349.71	8.07	-25.63
CC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCCCC1	REAL300018430385	0	48	0.0	-29.91	366.42	11.26	-18.65
CCC(CC)(CC)C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430386	0	47	0.0	-28.73	349.78	10.55	-18.18
CC1=CNC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430388	0	36	0.0	-28.12	315.72	7.27	-20.85
CCOC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C)=C1	REAL300018430389	0	46	0.0	-29.03	379.58	10.90	-18.13
COC1=CC(C)=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430390	0	43	0.0	-26.59	360.81	10.01	-16.58
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018430391	0	46	0.0	-31.35	370.16	12.26	-19.09
CC1=NC(C)=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])O1	REAL300018430392	1	38	0.0	-31.91	331.44	6.21	-25.70
COCC1=CSC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430393	0	40	0.0	-29.83	359.90	8.77	-21.06
CCCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430394	0	42	0.0	-28.81	366.33	11.45	-17.36
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N=C1	REAL300018430395	0	38	0.0	-32.16	328.49	8.84	-23.32
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NS1	REAL300018430396	0	32	0.0	-33.29	298.21	7.88	-25.41
CC(C)N1C=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430397	0	42	0.0	-32.72	352.93	9.83	-22.89
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018430398	0	41	0.0	-36.68	345.74	11.02	-25.66
COC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=C1Cl	REAL300018430399	0	40	0.0	-31.69	357.62	9.87	-21.82
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CS1	REAL300018430400	0	36	0.0	-28.94	325.27	9.81	-19.13
COC1=CC=CC(C)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430401	0	43	0.0	-25.66	359.30	9.81	-15.85
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018430402	0	39	0.0	-28.29	340.73	10.39	-17.90
CC1CSCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430403	0	37	0.0	-32.19	304.86	8.69	-23.50
CCC1=NN(C)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430404	0	42	0.0	-31.69	353.76	8.92	-22.77
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NN2CCCCC2=C1	REAL300018430405	0	43	0.0	-28.08	358.97	9.27	-18.81
CCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430406	0	42	0.0	-28.95	354.97	11.45	-17.50
COC1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430407	0	36	0.0	-30.16	330.91	5.68	-24.48
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018430408	0	40	0.0	-27.22	341.55	11.86	-15.36
CC1=NC=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430409	0	37	0.0	-33.45	321.34	6.75	-26.70
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(CC2)CC1	REAL300018430410	0	43	0.0	-26.22	337.20	10.92	-15.30
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018430411	0	41	0.0	-28.19	350.01	7.17	-21.02
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1C[C@@H]2CC[C@@H](C2)C1	REAL300018430412	0	43	0.0	-29.86	309.04	10.55	-19.31
CC1=CC=CN2C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])=CN=C12	REAL300018430413	0	42	0.0	-29.78	360.36	11.05	-18.73
CCN1N=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430414	0	38	0.0	-26.45	327.76	9.11	-17.34
CN1C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CN=C1Cl	REAL300018430415	0	36	0.0	-33.80	330.71	8.81	-24.99
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018430416	0	36	0.0	-32.01	333.13	7.35	-24.66
CC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N1C	REAL300018430417	0	39	0.0	-34.10	332.39	8.87	-25.23
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018430418	0	40	0.0	-30.18	348.96	9.83	-20.35
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018430419	0	40	0.0	-32.15	351.70	10.07	-22.08
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430420	0	42	0.0	-33.72	362.37	7.65	-26.07
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430421	0	39	0.0	-29.82	339.20	11.03	-18.79
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018430422	0	38	0.0	-29.59	342.68	9.57	-20.02
CC1=CC=CC2=NC=C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])N21	REAL300018430423	0	42	0.0	-31.73	347.88	10.64	-21.09
CCC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CC1(C)C	REAL300018430424	0	45	0.0	-24.26	347.14	10.96	-13.30
C=CCCCCCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430425	0	48	0.0	-30.99	386.22	12.00	-18.99
C=CCCCCC(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430426	0	45	0.0	-31.22	364.73	11.21	-20.01
CC1=CC(Cl)=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430427	0	39	0.0	-28.19	350.22	11.19	-17.00
COCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430428	0	43	0.0	-30.34	366.30	9.72	-20.62
COCC(CC(C)(C)C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430429	0	48	0.0	-27.43	366.14	8.98	-18.45
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC2=CC=CN=C12	REAL300018430430	0	44	0.0	-33.14	372.48	11.17	-21.97
CC(C)C1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430431	0	48	0.0	-31.70	369.05	11.03	-20.67
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])SN=N1	REAL300018430432	0	34	0.0	-31.85	312.57	7.21	-24.64
COC1=C(C)C=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1C	REAL300018430433	0	45	0.0	-32.51	376.85	8.74	-23.77
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCCC12CCCC2	REAL300018430434	0	49	0.0	-23.84	348.53	11.65	-12.19
CCC1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430435	0	45	0.0	-23.23	339.57	11.31	-11.92
NC1=C(F)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430436	0	38	0.0	-28.00	322.91	8.04	-19.96
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018430437	0	39	0.0	-30.47	345.40	10.92	-19.55
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018430438	0	43	0.0	-28.56	358.60	11.77	-16.79
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300018430439	0	38	0.0	-31.37	341.57	9.44	-21.93
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC(Cl)=CS1	REAL300018430440	0	32	0.0	-26.74	313.84	7.58	-19.16
COC1=NSC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430441	0	36	0.0	-30.71	330.71	5.97	-24.74
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018430442	0	41	0.0	-26.62	348.90	10.28	-16.34
COC1=CC=CC(Cl)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430443	0	40	0.0	-25.75	352.80	9.59	-16.16
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=NN1C	REAL300018430444	0	39	0.0	-28.73	329.20	8.04	-20.69
CCCN1N=C(C)C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1C	REAL300018430445	0	48	0.0	-28.29	395.22	10.35	-17.94
CCOC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C12CCCC2	REAL300018430446	0	50	0.0	-30.87	390.48	10.96	-19.91
CCC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCC1	REAL300018430447	0	42	0.0	-30.69	328.13	10.12	-20.57
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CCC(C2)C1	REAL300018430448	0	43	0.0	-23.79	298.38	10.37	-13.42
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCC12CCCC2	REAL300018430449	0	46	0.0	-30.65	351.10	11.50	-19.15
CCCC(C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1=CC=CC=C1	REAL300018430450	0	48	0.0	-26.95	385.46	13.12	-13.83
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=C(C2CC2)O1	REAL300018430451	1	39	0.0	-32.29	342.06	7.36	-24.93
CC(C)(C)C1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430452	0	45	0.0	-31.57	354.32	10.57	-21.00
CCOC1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430453	0	42	0.0	-31.25	358.37	8.42	-22.83
CCOC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430454	0	43	0.0	-31.50	372.23	10.25	-21.25
COC1=CC=C(C(C)C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430455	0	46	0.0	-33.83	376.05	10.40	-23.43
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430456	0	43	0.0	-29.97	365.72	9.73	-20.24
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018430458	0	52	0.0	-31.64	381.71	11.79	-19.85
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018430459	0	45	0.0	-25.29	355.01	11.96	-13.33
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018430460	0	44	0.0	-33.36	363.70	10.87	-22.49
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NN1CC1CC1	REAL300018430461	0	43	0.0	-35.55	354.24	9.73	-25.82
CC(CCC1=CC=CN=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430462	0	44	0.0	-35.37	364.08	10.43	-24.94
CC(C)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430463	0	45	0.0	-29.49	373.62	11.98	-17.51
CN1N=CN=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430464	0	35	0.0	-36.19	309.66	8.17	-28.02
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018430465	0	50	0.0	-32.65	370.16	9.48	-23.17
COC1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1C	REAL300018430466	0	42	0.0	-30.39	349.74	8.02	-22.37
NC1=C(Cl)C=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430467	0	38	0.0	-28.30	336.43	8.63	-19.67
CCC1=CNC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430468	0	39	0.0	-26.80	333.34	7.88	-18.92
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018430469	0	38	0.0	-30.70	337.00	8.74	-21.96
CC1=C2C=C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])NC2=CC=C1	REAL300018430470	0	43	0.0	-31.22	367.21	10.53	-20.69
CCOC1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430471	0	46	0.0	-28.06	361.26	9.81	-18.25
CC1=C(C)NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430472	0	39	0.0	-27.78	335.47	7.80	-19.98
CC1=CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430473	0	40	0.0	-30.33	322.43	9.75	-20.58
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(CCCC2)CC1	REAL300018430474	0	49	0.0	-31.51	369.18	11.53	-19.98
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018430475	0	38	0.0	-32.14	340.00	8.90	-23.24
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018430476	0	46	0.0	-28.30	359.16	12.18	-16.12
CCC1(C)CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430477	0	48	0.0	-25.18	355.15	11.20	-13.98
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018430478	0	46	0.0	-28.83	359.31	12.45	-16.38
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C(F)F)=N1	REAL300018430479	0	39	0.0	-33.40	335.76	8.32	-25.08
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCCCCC1	REAL300018430480	0	48	0.0	-31.28	356.10	11.08	-20.20
CCC1(CC)CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430481	0	51	0.0	-25.79	367.84	11.55	-14.24
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018430482	0	44	0.0	-27.29	354.87	9.71	-17.58
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018430483	0	43	0.0	-35.04	369.25	12.29	-22.75
CC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430484	0	36	0.0	-31.81	294.92	8.71	-23.10
CCCN1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430485	0	42	0.0	-29.56	353.59	9.21	-20.35
CC1=CC=C2C=C(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])NC2=C1	REAL300018430486	0	43	0.0	-30.25	366.66	10.66	-19.59
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C2CCCN2N=C1	REAL300018430487	0	40	0.0	-34.10	338.55	8.62	-25.48
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NN2CCCC2=C1	REAL300018430488	0	40	0.0	-28.00	337.11	8.33	-19.67
CC(C)C1CCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430489	0	45	0.0	-30.11	352.91	10.73	-19.38
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018430490	0	38	0.0	-31.42	337.02	7.42	-24.00
CC1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430491	0	45	0.0	-25.31	337.41	10.68	-14.63
CCC1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430492	0	48	0.0	-25.34	355.93	11.32	-14.02
CC1(C)CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430493	0	48	0.0	-31.91	352.86	10.63	-21.28
CC(C)(C)C1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430494	0	54	0.0	-33.48	392.71	11.92	-21.56
CC1CC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CCN1C	REAL300018430495	0	44	0.0	-25.02	336.21	7.67	-17.35
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018430496	0	39	0.0	-28.90	344.86	10.41	-18.49
CC([NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-])C1CCCO1	REAL300018430497	0	40	0.0	-26.43	321.58	7.80	-18.63
COCC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430498	0	43	0.0	-31.32	367.15	9.74	-21.58
CN(C)CC1=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CS1	REAL300018430499	0	43	0.0	-32.78	374.50	6.54	-26.24
CC1(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])CC1	REAL300018430500	0	36	0.0	-29.97	301.78	9.40	-20.57
CC1=CC=C(CC[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430501	0	42	0.0	-33.65	354.16	11.44	-22.21
CCCCC(C)C(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430502	0	47	0.0	-29.42	361.04	10.95	-18.47
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018430503	0	43	0.0	-28.15	353.60	11.83	-16.32
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CCC1=CC=C(F)C=C1F	REAL300018430504	0	39	0.0	-33.48	347.88	10.83	-22.65
CC1=CC(CC[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC(C)=C1	REAL300018430505	0	45	0.0	-34.64	377.72	12.16	-22.48
CC(CCC1=CSC=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430506	0	42	0.0	-31.84	355.12	11.00	-20.84
CC(CC1=CN(C)N=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430507	0	42	0.0	-36.27	351.37	9.09	-27.18
CN1N=CC2=CC(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])=CN=C21	REAL300018430508	0	41	0.0	-37.91	358.72	9.09	-28.82
CN1C=C(CCC[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430509	0	42	0.0	-37.24	359.49	9.45	-27.79
CCC1=CN=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])S1	REAL300018430510	1	38	0.0	-26.28	340.26	8.74	-17.54
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(F)N=C1	REAL300018430511	0	35	0.0	-35.27	314.65	8.22	-27.05
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2COCCC2C1	REAL300018430512	0	47	0.0	-30.20	358.46	9.59	-20.61
CC1(C)CC2(CC([NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])C2)CO1	REAL300018430513	0	47	0.0	-31.02	369.66	9.18	-21.84
CC1CC2(CC([NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])C2)CO1	REAL300018430514	0	44	0.0	-35.98	352.77	8.61	-27.37
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018430515	0	44	0.0	-26.73	352.85	10.73	-16.00
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018430516	0	43	0.0	-26.00	351.19	11.52	-14.48
CN1C=NC2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])=C21	REAL300018430517	0	42	0.0	-28.95	344.50	11.58	-17.37
COC1=CC=C(C)C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430518	0	43	0.0	-27.78	355.34	9.75	-18.03
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NOC(C2CCC2)=C1	REAL300018430519	0	42	0.0	-33.09	358.55	10.31	-22.78
CC1(C2=CC(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])=NO2)CC1	REAL300018430520	0	42	0.0	-26.66	361.96	10.09	-16.57
CCC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430521	0	42	0.0	-25.93	340.49	10.98	-14.95
CC1=CC(F)=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430522	0	39	0.0	-28.69	339.90	10.76	-17.93
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C)=C1C	REAL300018430523	0	45	0.0	-28.34	362.92	11.78	-16.56
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430524	0	48	0.0	-23.76	363.64	12.02	-11.74
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN=C2CCCCCN12	REAL300018430525	0	46	0.0	-33.19	370.46	10.34	-22.85
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CON=C1C1CC1	REAL300018430526	0	39	0.0	-29.86	340.16	9.63	-20.23
CC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=C1C1CC1	REAL300018430527	0	46	0.0	-28.78	379.12	12.64	-16.14
CCOC1=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=N1	REAL300018430528	0	42	0.0	-29.94	361.03	7.66	-22.28
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1C1CC1	REAL300018430529	0	46	0.0	-27.92	377.00	12.44	-15.48
CC(C)CC1CCCC1[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430530	0	48	0.0	-28.91	363.60	11.46	-17.45
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC(C2CCC2)C1	REAL300018430531	0	43	0.0	-31.59	346.44	10.75	-20.84
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NOC(C2CC2)=C1	REAL300018430532	0	39	0.0	-27.04	342.94	9.67	-17.37
CC(C)C1=CC=C(O)C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430533	0	46	0.0	-30.35	382.26	9.24	-21.11
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(CCC2)CC1	REAL300018430534	0	46	0.0	-31.88	356.00	11.07	-20.81
CC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1O	REAL300018430535	0	40	0.0	-29.09	343.18	7.92	-21.17
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018430536	1	39	0.0	-26.85	349.18	9.28	-17.57
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018430537	0	42	0.0	-38.88	361.61	8.92	-29.96
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018430538	0	41	0.0	-29.02	347.10	9.83	-19.19
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018430539	0	43	0.0	-33.79	355.02	9.09	-24.70
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018430540	0	44	0.0	-30.25	364.28	9.90	-20.35
CC1=CC=CC(F)=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430541	0	39	0.0	-25.33	336.44	10.47	-14.86
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC=C1C1CCC1	REAL300018430542	0	46	0.0	-26.18	366.36	12.10	-14.08
CSC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430543	0	40	0.0	-32.83	354.60	10.96	-21.87
CC(C)(C)N1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430544	0	45	0.0	-27.19	357.87	9.41	-17.78
CC1(C)C2CC([NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])CC21	REAL300018430545	0	43	0.0	-32.33	335.62	10.41	-21.92
CC(C)C1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N(C)N=C1	REAL300018430546	0	45	0.0	-28.86	376.53	9.42	-19.44
CCN1C=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430547	0	39	0.0	-28.68	338.79	8.51	-20.17
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018430548	0	43	0.0	-27.75	378.60	12.31	-15.44
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018430549	0	44	0.0	-31.22	372.63	10.99	-20.23
CCCN1C=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430550	0	42	0.0	-28.39	360.29	9.27	-19.12
CC(C)N1C=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430551	0	42	0.0	-26.64	353.64	8.91	-17.73
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430552	0	47	0.0	-29.57	384.79	10.56	-19.01
CCC(CC)C(C)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430553	0	44	0.0	-29.00	334.02	10.46	-18.54
CN1C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=NC2=C1CCCC2	REAL300018430554	0	46	0.0	-25.84	374.79	10.69	-15.15
CC1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430555	0	38	0.0	-32.09	327.81	8.77	-23.32
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018430556	0	41	0.0	-31.87	352.40	10.41	-21.46
COC1=NC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=CC=C1C	REAL300018430557	0	42	0.0	-27.32	361.68	7.33	-19.99
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018430558	0	44	0.0	-28.56	357.99	9.97	-18.59
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018430559	1	43	0.0	-30.47	356.35	10.84	-19.63
CCC(C)N1N=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430560	0	45	0.0	-30.53	375.69	9.70	-20.83
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CCCCC2C1	REAL300018430561	0	46	0.0	-30.09	354.85	11.16	-18.93
COC1=CC(C)=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430562	0	42	0.0	-28.73	349.22	7.01	-21.72
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018430563	0	38	0.0	-28.03	345.05	9.51	-18.52
CC1=NOC(C2CC([NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])C2)=N1	REAL300018430564	0	41	0.0	-36.07	344.63	7.12	-28.95
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC(C2CCOCC2)C1	REAL300018430565	0	47	0.0	-31.83	366.93	9.35	-22.48
CCCN1C=NC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430566	0	42	0.0	-30.01	348.86	10.70	-19.31
CCC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=NN1CC	REAL300018430567	0	45	0.0	-31.53	371.21	9.90	-21.63
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1	REAL300018430568	0	42	0.0	-31.89	365.29	11.54	-20.35
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CCCCCC2C1	REAL300018430569	0	49	0.0	-31.13	365.27	11.61	-19.52
C=CCC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430570	0	43	0.0	-27.25	358.37	11.84	-15.41
COCC1=CC=CC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430571	0	43	0.0	-29.03	360.28	9.79	-19.24
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018430572	0	44	0.0	-29.94	364.29	9.90	-20.04
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC=CC1=CC=NC=C1	REAL300018430573	0	39	0.0	-33.64	337.30	9.52	-24.12
CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C2CC2)=N1	REAL300018430574	0	46	0.0	-31.64	386.04	10.63	-21.01
CCC1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])N=C1	REAL300018430575	0	41	0.0	-25.39	348.48	9.40	-15.99
CC(C)(C)C1=NOC=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430576	0	44	0.0	-33.79	358.95	9.59	-24.20
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018430577	0	41	0.0	-32.59	353.08	10.50	-22.09
CC1=CC2=CC=CC(C[NH2+]C(CC3=CC=CC=C3Br)C(=O)[O-])=C2O1	REAL300018430578	0	42	0.0	-33.97	363.61	11.09	-22.88
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CON=C1C1CCC1	REAL300018430579	0	42	0.0	-30.45	358.11	10.14	-20.31
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=NN1CC(F)F	REAL300018430580	0	39	0.0	-31.83	341.46	8.62	-23.21
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018430582	0	43	0.0	-26.51	358.78	9.50	-17.01
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018430583	0	39	0.0	-30.81	351.78	8.80	-22.01
CC1=CN(C)C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=N1	REAL300018430584	0	39	0.0	-35.14	334.97	9.02	-26.12
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CCCC(C2)C1	REAL300018430585	0	46	0.0	-26.13	338.00	11.01	-15.12
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018430586	0	46	0.0	-26.11	376.37	10.18	-15.93
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018430587	0	39	0.0	-33.97	344.35	10.21	-23.76
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC=CC1=CC=CC=C1	REAL300018430588	0	40	0.0	-33.04	344.72	11.40	-21.64
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430589	0	46	0.0	-29.56	381.21	10.42	-19.14
COC1=CC=CC=C1C=CC[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430590	0	44	0.0	-34.94	371.80	10.73	-24.21
CC(C)(C)N1CCCC([NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C1	REAL300018430591	0	50	0.0	-23.85	368.71	8.74	-15.11
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C(CF)C=C1	REAL300018430592	0	39	0.0	-30.75	339.22	10.81	-19.94
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018430593	0	39	0.0	-29.92	348.16	11.36	-18.56
CC(CC1=CN(C)N=C1)[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430594	0	42	0.0	-36.27	351.37	9.09	-27.18
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CC2CC=CCC2C1	REAL300018430595	0	44	0.0	-26.44	339.78	11.41	-15.03
C=CCN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=N1	REAL300018430596	0	40	0.0	-31.45	351.53	9.17	-22.28
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018430597	0	39	0.0	-37.90	340.62	8.65	-29.25
CCC(C)C1=CC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=C1	REAL300018430598	0	48	0.0	-28.20	389.90	12.58	-15.62
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC2(C1)CCOCC2	REAL300018430599	0	47	0.0	-32.33	361.21	9.19	-23.14
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018430600	0	46	0.0	-27.68	368.94	12.30	-15.38
CC1=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C=CC2=CC=CC=C12	REAL300018430601	0	45	0.0	-27.63	363.74	12.42	-15.21
CCCN1N=CC(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])=C1C	REAL300018430602	0	45	0.0	-32.48	375.93	9.84	-22.64
O=C([O-])C(CC1=CC=CC=C1Br)[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018430603	0	46	0.0	-24.24	359.12	13.02	-11.22
CCCN1N=C(C)C=C1C[NH2+]C(CC1=CC=CC=C1Br)C(=O)[O-]	REAL300018430604	0	45	0.0	-29.66	375.53	9.80	-19.86
CN1C=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])C(C2CCC2)=N1	REAL300018430605	0	46	0.0	-32.54	384.80	10.35	-22.19
CC(C)(C)C1=NC=C(C[NH2+]C(CC2=CC=CC=C2Br)C(=O)[O-])O1	REAL300018430606	1	44	0.0	-31.74	372.59	7.55	-24.19
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1	REAL300018430607	0	49	0.0	-76.90	384.59	10.58	-66.32
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018430608	1	56	0.0	-59.85	440.70	13.09	-46.76
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C(=O)[O-])=C(C)O1	REAL300018430609	1	49	0.0	-66.41	385.60	9.55	-56.86
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=C(C(=O)[O-])OC=C1	REAL300018430610	0	46	0.0	-45.22	362.28	8.84	-36.38
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCN(CC(=O)[O-])CC1	REAL300018430611	0	54	0.0	-62.41	396.93	7.83	-54.58
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C(=O)[O-])=CO1	REAL300018430612	1	46	0.0	-66.78	367.62	8.82	-57.96
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCC(C(=O)[O-])CC1	REAL300018430613	0	52	0.0	-64.13	383.70	9.97	-54.16
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018430615	1	46	0.0	-66.02	367.40	9.08	-56.94
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018430616	1	46	0.0	-66.02	367.40	9.08	-56.94
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CCC(C)(C)C(=O)[O-]	REAL300018430617	0	51	0.0	-59.28	380.05	9.37	-49.91
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018430618	1	56	0.0	-78.28	444.48	12.43	-65.85
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018430619	1	56	0.0	-78.28	444.48	12.43	-65.85
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCC(C(=O)[O-])CC1	REAL300018430620	0	52	0.0	-64.13	383.70	9.97	-54.16
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC(C(=O)[O-])=C1	REAL300018430621	0	49	0.0	-70.29	384.60	10.57	-59.72
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018430622	0	56	0.0	-49.74	439.34	11.81	-37.93
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C(=O)[O-])=NN1	REAL300018430623	1	46	0.0	-76.04	365.96	7.02	-69.02
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300018430624	0	59	0.0	-78.67	459.74	12.40	-66.27
COC1=CC=C(C(C)(C)C)C=C1CNC1CC[NH+](CCCC(=O)[O-])CC1	REAL300018430625	0	60	0.0	-54.24	440.48	10.14	-44.10
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=C(C)N(CCC(=O)[O-])N=C1C	REAL300018430626	0	58	0.0	-68.86	447.92	10.28	-58.58
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018430627	0	53	0.0	-74.77	415.57	10.86	-63.91
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018430628	0	53	0.0	-74.77	415.57	10.86	-63.91
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CSC(C(=O)[O-])=C1	REAL300018430629	0	46	0.0	-66.30	375.09	9.63	-56.67
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCC(CC(=O)[O-])CC1	REAL300018430630	0	55	0.0	-63.07	400.77	10.59	-52.48
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=CC(C(=O)[O-])=N1	REAL300018430632	1	48	0.0	-65.18	380.43	8.75	-56.43
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C(C)C1CC1C(=O)[O-]	REAL300018430634	0	49	0.0	-31.03	362.77	10.03	-21.00
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CC(CC(=O)[O-])C1	REAL300018430635	0	49	0.0	-57.28	372.43	9.61	-47.67
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300018430636	0	56	0.0	-75.73	433.53	11.45	-64.28
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=C2C=C(C(=O)[O-])OC2=C(OC)C=C1	REAL300018430637	0	56	0.0	-75.78	443.18	10.58	-65.20
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCC(C(=O)[O-])C(C)C1	REAL300018430638	0	55	0.0	-65.83	393.89	10.20	-55.63
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C=CC(=O)[O-])O1	REAL300018430639	1	50	0.0	-76.55	401.85	8.67	-67.88
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1	REAL300018430640	0	55	0.0	-61.52	413.68	10.77	-50.75
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCC(C(F)(F)C(=O)[O-])C1	REAL300018430641	0	52	0.0	-60.36	397.35	10.27	-50.09
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=C(C)OC(C(=O)[O-])=C1	REAL300018430642	0	49	0.0	-69.14	386.35	9.73	-59.41
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C)=C(C(=O)[O-])O1	REAL300018430643	1	49	0.0	-66.23	385.32	9.67	-56.56
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018430644	0	49	0.0	-76.37	397.11	10.97	-65.40
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C(C)CC(C)(C)CC(=O)[O-]	REAL300018430645	0	57	0.0	-55.19	402.74	10.88	-44.31
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCC(CC(=O)[O-])C1C	REAL300018430646	0	55	0.0	-61.78	400.83	10.55	-51.23
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CC(C)(C(=O)[O-])C1	REAL300018430647	0	49	0.0	-56.81	371.31	9.32	-47.49
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018430648	0	52	0.0	-70.37	413.03	11.64	-58.73
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CN(C)N=C1C(=O)[O-]	REAL300018430649	0	49	0.0	-54.39	384.50	8.41	-45.98
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC(C(C)(C)C)=CC=C2OC)O1	REAL300018430650	1	52	0.0	-66.88	407.09	10.33	-56.55
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CCCC(CCCC(=O)[O-])C1	REAL300018430651	0	61	0.0	-64.37	438.18	12.33	-52.04
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C(C)CCCC(C)(C)C(=O)[O-]	REAL300018430652	0	60	0.0	-66.74	436.42	11.51	-55.23
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300018430653	1	48	0.0	-67.04	379.70	8.75	-58.29
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018430654	0	56	0.0	-56.73	423.80	12.03	-44.70
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C(=O)[O-])=NN1C	REAL300018430655	1	49	0.0	-80.47	386.42	8.24	-72.23
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])O1	REAL300018430656	1	52	0.0	-66.31	409.36	10.46	-55.85
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018430657	0	49	0.0	-73.41	389.13	10.60	-62.81
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C1CC(CCC(=O)[O-])C1	REAL300018430658	0	52	0.0	-63.36	394.37	10.39	-52.97
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018430659	0	49	0.0	-77.62	412.79	11.27	-66.35
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018430660	1	51	0.0	-95.00	407.39	9.53	-85.47
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])N=C1	REAL300018430661	0	48	0.0	-79.36	380.29	8.78	-70.58
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018430663	0	52	0.0	-58.64	411.40	11.00	-47.64
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CN=C(C(=O)[O-])C=C1C	REAL300018430664	0	51	0.0	-79.95	396.28	9.34	-70.61
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018430665	0	52	0.0	-65.58	387.75	10.21	-55.37
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018430666	0	52	0.0	-74.97	410.19	10.29	-64.68
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018430668	1	56	0.0	-76.53	431.63	10.48	-66.05
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018430669	0	52	0.0	-68.62	423.64	11.57	-57.05
COC1=CC=C(C(C)(C)C)C=C1C[NH2+]CC1=CC(C(=O)[O-])=CC=C1O	REAL300018430670	0	50	0.0	-66.51	392.15	7.98	-58.53
O=C([O-])C1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C=C1	REAL300018430671	0	36	0.0	-83.04	336.74	10.59	-72.45
CC1=C(C(=O)[O-])C=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)O1	REAL300018430672	0	36	0.0	-72.33	337.79	9.56	-62.77
O=C([O-])C1=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C=CO1	REAL300018430673	0	33	0.0	-50.13	314.47	8.85	-41.28
O=C([O-])CN1CCC([NH2+]CCC2=CC=C(Cl)C=C2Br)CC1	REAL300018430674	0	41	0.0	-69.18	349.16	7.82	-61.36
O=C([O-])C1=COC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430675	0	33	0.0	-72.72	319.80	8.83	-63.89
O=C([O-])C1CCC([NH2+]CCC2=CC=C(Cl)C=C2Br)CC1	REAL300018430676	0	39	0.0	-73.58	335.91	9.97	-63.61
O=C([O-])CN1C=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)N=N1	REAL300018430677	0	35	0.0	-70.37	333.48	7.42	-62.95
O=C([O-])C1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)O1	REAL300018430678	0	33	0.0	-71.34	319.55	9.08	-62.26
O=C([O-])C1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)O1	REAL300018430679	0	33	0.0	-71.34	319.55	9.08	-62.26
CC(C)(CC[NH2+]CCC1=CC=C(Cl)C=C1Br)C(=O)[O-]	REAL300018430680	0	38	0.0	-65.46	331.69	9.36	-56.10
O=C([O-])C1CCC([NH2+]CCC2=CC=C(Cl)C=C2Br)CC1	REAL300018430681	0	39	0.0	-73.58	335.91	9.97	-63.61
O=C([O-])C1=CC=CC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430682	0	36	0.0	-76.68	336.74	10.58	-66.10
O=C([O-])C1=NNC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430683	0	33	0.0	-81.94	318.14	7.03	-74.91
O=C([O-])COC1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C=C1	REAL300018430684	0	40	0.0	-80.88	367.80	10.87	-70.01
O=C([O-])COC1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C=C1	REAL300018430685	0	40	0.0	-80.88	367.80	10.87	-70.01
O=C([O-])C1=CC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=CS1	REAL300018430686	0	33	0.0	-71.82	327.27	9.64	-62.18
O=C([O-])CC1CCC([NH2+]CCC2=CC=C(Cl)C=C2Br)CC1	REAL300018430687	0	42	0.0	-72.50	352.99	10.58	-61.92
O=C([O-])C1=NOC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430688	0	32	0.0	-78.79	313.96	8.13	-70.66
O=C([O-])C1=CC=CC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=N1	REAL300018430689	0	35	0.0	-69.83	332.58	8.76	-61.07
O=C([O-])C1=NOC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430690	0	32	0.0	-78.79	313.96	8.13	-70.66
CC([NH2+]CCC1=CC=C(Cl)C=C1Br)C1CC1C(=O)[O-]	REAL300018430691	0	36	0.0	-65.04	320.71	9.53	-55.51
O=C([O-])CC1CC([NH2+]CCC2=CC=C(Cl)C=C2Br)C1	REAL300018430692	0	36	0.0	-68.28	323.62	9.55	-58.73
CC1CC([NH2+]CCC2=CC=C(Cl)C=C2Br)CCC1C(=O)[O-]	REAL300018430693	0	42	0.0	-73.23	344.51	10.16	-63.07
O=C([O-])C=CC1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)O1	REAL300018430694	0	37	0.0	-82.34	354.04	8.67	-73.67
O=C([O-])C(F)(F)C1CCC([NH2+]CCC2=CC=C(Cl)C=C2Br)C1	REAL300018430695	0	39	0.0	-67.62	349.52	10.27	-57.35
CC1=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C=C(C(=O)[O-])O1	REAL300018430696	0	36	0.0	-75.13	338.54	9.74	-65.39
CC1=C(C(=O)[O-])OC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430697	0	36	0.0	-71.60	337.52	9.68	-61.92
CC(CC(C)(C)CC(=O)[O-])[NH2+]CCC1=CC=C(Cl)C=C1Br	REAL300018430698	0	44	0.0	-62.55	354.98	10.88	-51.67
CC1C(CC(=O)[O-])CCC1[NH2+]CCC1=CC=C(Cl)C=C1Br	REAL300018430699	0	42	0.0	-70.96	357.45	10.65	-60.31
CC1(C(=O)[O-])CC([NH2+]CCC2=CC=C(Cl)C=C2Br)C1	REAL300018430700	0	36	0.0	-65.02	316.73	9.64	-55.38
CN1C=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C(C(=O)[O-])=N1	REAL300018430701	0	36	0.0	-59.00	336.68	8.42	-50.58
CCC1=C(C(=O)[O-])C=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)O1	REAL300018430702	0	39	0.0	-72.81	359.26	10.34	-62.47
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CCC1=CC=C(Cl)C=C1Br	REAL300018430703	0	47	0.0	-74.02	388.64	11.51	-62.51
O=C([O-])C1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)N=C1	REAL300018430704	0	35	0.0	-72.71	331.87	8.76	-63.95
CN1N=C(C(=O)[O-])C=C1C[NH2+]CCC1=CC=C(Cl)C=C1Br	REAL300018430705	0	36	0.0	-86.25	338.59	8.25	-78.00
O=C([O-])CCC1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)O1	REAL300018430706	0	39	0.0	-72.17	361.54	10.47	-61.70
O=C([O-])C1=CC(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=CC=C1F	REAL300018430707	0	36	0.0	-82.72	341.29	10.61	-72.11
O=C([O-])CCC1CC([NH2+]CCC2=CC=C(Cl)C=C2Br)C1	REAL300018430708	0	39	0.0	-68.61	346.56	10.40	-58.21
O=C([O-])C1=CC=C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)C=N1	REAL300018430709	0	35	0.0	-85.20	332.45	8.79	-76.41
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CCC1=CC=C(Cl)C=C1Br	REAL300018430710	0	38	0.0	-85.21	347.67	9.41	-75.80
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CCC2=CC=C(Cl)C=C2Br)C1	REAL300018430711	0	39	0.0	-75.71	341.29	10.23	-65.48
O=C([O-])C1=CC=C(O)C(C[NH2+]CCC2=CC=C(Cl)C=C2Br)=C1	REAL300018430712	0	37	0.0	-74.27	344.32	7.98	-66.29
C[C@@H]([NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300018430713	0	43	0.0	-66.32	357.93	12.03	-54.29
C[C@@H]([NH2+]CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018430714	0	50	0.0	-75.04	411.67	12.87	-62.17
C[C@@H]([NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1=CC=C(F)C=C1	REAL300018430715	0	43	0.0	-86.03	361.68	11.37	-74.66
C[C@@H]([NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1=CC=C(F)C=C1	REAL300018430716	0	43	0.0	-86.03	361.68	11.37	-74.66
C[C@@H]([NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])C1=CC=C(F)C=C1	REAL300018430717	0	43	0.0	-56.65	356.53	10.74	-45.91
CC1=CC(C[NH2+][C@H](C)C2=CC=C(F)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018430718	0	46	0.0	-86.00	376.92	11.33	-74.67
C[C@@H](NC1CC[NH+](CCCC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300018430719	1	47	0.0	-56.22	360.97	9.31	-46.91
C[C@@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300018430719	1	47	0.0	-73.10	356.74	8.06	-65.04
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+][C@H](C)C1=CC=C(F)C=C1	REAL300018430720	0	45	0.0	-75.43	365.08	9.23	-66.20
C[C@@H]([NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018430721	0	40	0.0	-81.87	332.80	9.80	-72.07
C[C@@H]([NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018430722	0	40	0.0	-81.87	332.80	9.80	-72.07
CC(OC1=CC=C(C[NH2+][C@H](C)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018430723	0	43	0.0	-82.85	350.68	10.40	-72.45
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+][C@H](C)C2=CC=C(F)C=C2)C=C1	REAL300018430724	0	43	0.0	-80.99	360.33	9.52	-71.47
C[C@@H]([NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018430725	0	42	0.0	-70.40	331.25	9.62	-60.78
C[C@@H]([NH2+]C1CCC(C(F)(F)C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018430726	0	39	0.0	-67.33	313.14	9.11	-58.22
C[C@@H]([NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300018430727	0	36	0.0	-83.09	314.26	9.91	-73.18
C[C@@H]([NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F)C1=CC=C(F)C=C1	REAL300018430728	0	39	0.0	-77.94	330.36	10.57	-67.37
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+][C@H](C)C2=CC=C(F)C=C2)=C1	REAL300018430729	0	43	0.0	-59.11	374.60	11.17	-47.94
C[C@@H]([NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1)C1=CC=C(F)C=C1	REAL300018430730	0	36	0.0	-81.70	317.99	10.01	-71.69
C[C@@H]([NH2+]C1CCCC(CCCC(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018430731	0	48	0.0	-68.79	355.93	11.21	-57.58
C[C@@H]([NH2+]CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)C1=CC=C(F)C=C1	REAL300018430732	0	46	0.0	-73.60	381.20	11.08	-62.52
C[C@@H]([NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1)C1=CC=C(F)C=C1	REAL300018430733	0	43	0.0	-55.61	338.24	10.89	-44.72
C[C@@H]([NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2)C1=CC=C(F)C=C1	REAL300018430734	0	36	0.0	-84.91	329.99	10.19	-74.72
C[C@@H]([NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1)C1=CC=C(F)C=C1	REAL300018430735	0	38	0.0	-102.31	324.56	8.47	-93.84
CC(OC1=CC=C(Cl)C=C1C[NH2+][C@H](C)C1=CC=C(F)C=C1)C(=O)[O-]	REAL300018430736	0	43	0.0	-54.03	365.88	10.92	-43.11
C[C@@H]([NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)C1=CC=C(F)C=C1	REAL300018430737	1	36	0.0	-66.88	312.32	9.57	-57.31
C[C@@H]([NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12)C1=CC=C(F)C=C1	REAL300018430738	0	39	0.0	-66.32	328.60	9.92	-56.40
C[C@@H]([NH2+]CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12)C1=CC=C(F)C=C1	REAL300018430739	0	39	0.0	-67.76	349.90	10.49	-57.27
C[C@@H]([NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12)C1=CC=C(F)C=C1	REAL300018430740	0	39	0.0	-83.36	327.44	9.24	-74.12
C[C@@H]([NH2+]CC1=CC=CC(C(=O)[O-])=C1Br)C1=CC=C(F)C=C1	REAL300018430741	0	36	0.0	-68.53	312.96	9.93	-58.60
C[C@@H]([NH2+]CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1)C1=CC=C(F)C=C1	REAL300018430742	1	43	0.0	-72.05	348.34	9.10	-62.95
C[C@@H]([NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018430743	0	43	0.0	-83.83	348.85	9.41	-74.42
C[C@@H]([NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C1=CC=C(F)C=C1	REAL300018430744	0	39	0.0	-74.16	340.80	10.52	-63.64
C[C@@H]([NH2+]CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12)C1=CC=C(F)C=C1	REAL300018430745	0	39	0.0	-91.06	349.97	10.70	-80.36
C[C@@H]([NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1)C1=CC=C(F)C=C1	REAL300018430746	0	43	0.0	-37.95	360.57	11.99	-25.96
C[C@@H]([NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300018430747	0	36	0.0	-72.88	323.04	10.12	-62.76
COCC1(C[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)CCCO1	REAL300018430748	0	48	0.0	-65.48	381.75	8.85	-56.63
COCC1(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)CCCO1	REAL300018430749	0	55	0.0	-68.98	435.52	9.68	-59.30
COCC1(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)CCCO1	REAL300018430750	0	48	0.0	-83.24	385.53	8.19	-75.05
COCC1(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)CCCO1	REAL300018430751	0	48	0.0	-83.24	385.53	8.19	-75.05
COCC1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])CCCO1	REAL300018430752	0	48	0.0	-59.02	380.39	7.56	-51.46
COCC1(C[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)CCCO1	REAL300018430753	0	51	0.0	-82.37	401.92	8.27	-74.10
COCC1(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)CCCO1	REAL300018430754	1	52	0.0	-67.12	380.88	4.66	-62.46
COCC1(C[NH2+]CC2=C(C)N(CCC(=O)[O-])N=C2C)CCCO1	REAL300018430755	0	50	0.0	-72.07	388.88	6.03	-66.04
COCC1(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)CCCO1	REAL300018430756	0	45	0.0	-78.21	356.65	6.62	-71.59
COCC1(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)CCCO1	REAL300018430757	0	45	0.0	-78.21	356.65	6.62	-71.59
COCC1(C[NH2+]CC2=CC=C(OC(C)C(=O)[O-])C=C2)CCCO1	REAL300018430758	0	48	0.0	-79.27	374.53	7.21	-72.06
COCC1(C[NH2+]CC2=C3C=C(C(=O)[O-])OC3=C(OC)C=C2)CCCO1	REAL300018430759	0	48	0.0	-75.87	384.18	6.34	-69.53
COCC1(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)CCCO1	REAL300018430760	0	47	0.0	-63.58	352.67	6.37	-57.21
COCC1(C[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)CCCO1	REAL300018430761	0	44	0.0	-63.37	338.35	6.18	-57.19
COCC1(C[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)CCCO1	REAL300018430762	0	41	0.0	-80.00	338.11	6.72	-73.28
COCC1(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)CCCO1	REAL300018430763	0	44	0.0	-73.90	354.01	7.37	-66.53
COCC1(C[NH2+]CC2=CC=C(C(=O)[O-])C(Br)=C2)CCCO1	REAL300018430764	0	41	0.0	-78.63	341.84	6.82	-71.81
COCC1(C[NH2+]C2CCCC(CCCC(=O)[O-])C2)CCCO1	REAL300018430765	0	53	0.0	-71.21	386.83	7.82	-63.39
COCC1(C[NH2+]C(C)CCCC(C)(C)C(=O)[O-])CCCO1	REAL300018430766	0	52	0.0	-70.74	378.63	7.20	-63.54
COCC1(C[NH2+]CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)CCCO1	REAL300018430767	0	51	0.0	-71.27	404.89	7.90	-63.37
COCC1(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)CCCO1	REAL300018430768	0	48	0.0	-49.19	367.21	7.84	-41.35
COCC1(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)CCCO1	REAL300018430769	0	41	0.0	-81.20	353.83	7.03	-74.17
COCC1(C[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)CCCO1	REAL300018430770	0	43	0.0	-98.90	348.40	5.29	-93.61
COCC1(C[NH2+]CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])CCCO1	REAL300018430771	0	48	0.0	-49.32	391.01	7.69	-41.63
COCC1(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)CCCO1	REAL300018430772	0	41	0.0	-64.39	336.16	6.37	-58.02
COCC1(C[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)CCCO1	REAL300018430773	0	44	0.0	-65.46	352.44	6.76	-58.70
COCC1(C[NH2+]CC2=CN=C3C(Br)=CC(C(=O)[O-])=CN23)CCCO1	REAL300018430774	0	44	0.0	-66.67	373.75	7.32	-59.35
COCC1(C[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)CCCO1	REAL300018430775	0	44	0.0	-82.53	351.27	6.05	-76.48
COCC1(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2Br)CCCO1	REAL300018430776	0	41	0.0	-64.95	336.87	6.74	-58.21
COCC1(C[NH2+]CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)CCCO1	REAL300018430777	0	48	0.0	-70.49	373.64	5.87	-64.62
COCC1(C[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)CCCO1	REAL300018430778	0	48	0.0	-79.28	370.69	6.43	-72.85
COCC1(C[NH2+]CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CCCO1	REAL300018430779	0	44	0.0	-72.50	364.30	7.30	-65.20
COCC1(C[NH2+]CC2=CN=C3C(C(=O)[O-])=CC(Br)=CN23)CCCO1	REAL300018430780	0	44	0.0	-87.70	373.82	7.53	-80.17
COCC1(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC(Br)=C3)C2)CCCO1	REAL300018430781	0	48	0.0	-53.11	385.23	8.39	-44.72
COCC1(C[NH2+]CC2=CC(Br)=CC(C(=O)[O-])=C2)CCCO1	REAL300018430782	0	41	0.0	-68.91	346.89	6.94	-61.97
CSC1=CC=CC=C1CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430783	0	43	0.0	-29.99	366.77	11.02	-18.97
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300018430784	0	38	0.0	-31.28	353.84	8.78	-22.50
CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1=CC=CC=C1	REAL300018430785	0	42	0.0	-35.41	356.78	10.48	-24.93
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(CC2=CC=CN=C2)N=N1	REAL300018430786	0	41	0.0	-48.57	373.00	7.00	-41.57
CCC1CCCC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430787	0	45	0.0	-35.15	361.41	10.06	-25.09
COC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430788	0	40	0.0	-31.50	330.48	6.99	-24.51
CC1CCCCC1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430789	0	42	0.0	-32.51	337.16	9.18	-23.33
CC(C)C1=CN=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018430790	0	38	0.0	-29.86	349.47	7.76	-22.10
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300018430791	0	37	0.0	-37.32	344.30	9.86	-27.46
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1CC2CCC1C2	REAL300018430792	0	40	0.0	-33.53	323.70	8.96	-24.57
CCN1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430793	0	41	0.0	-33.95	334.30	6.12	-27.83
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2=CC=CC=C2C1	REAL300018430794	0	40	0.0	-36.42	337.33	9.97	-26.45
CCCCCC(CCCCC)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430795	0	53	0.0	-34.43	423.81	12.08	-22.35
COC1=CC=C2CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC2=C1	REAL300018430796	0	44	0.0	-37.95	366.88	9.27	-28.68
CC1(C)CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430797	0	42	0.0	-34.15	333.34	8.73	-25.42
CCC(CC1=CC=CS1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430798	0	39	0.0	-37.66	344.41	9.51	-28.15
CCC(CC1=CC=C(C)C=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430799	0	45	0.0	-35.84	370.00	10.82	-25.02
CCCC(CCC1=CC=CC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430800	0	48	0.0	-35.93	381.83	11.62	-24.31
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCOCC1	REAL300018430801	0	37	0.0	-35.08	303.09	6.45	-28.63
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C(Br)C=CS1	REAL300018430802	0	30	0.0	-27.74	308.85	8.03	-19.71
CC(C)CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430803	0	41	0.0	-32.29	332.13	8.74	-23.55
CC(CCC1=CC=C2OCOC2=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430804	0	45	0.0	-41.17	379.08	9.13	-32.04
CC(CCC1=CC=C(O)C=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430805	0	43	0.0	-38.59	364.04	7.61	-30.98
COC1=CC=C(CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018430806	0	47	0.0	-34.98	389.53	8.87	-26.11
COC1=CC=C(CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018430807	0	46	0.0	-37.91	382.48	9.76	-28.15
CC(CCC1=CC=CO1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430808	0	39	0.0	-36.86	333.79	8.59	-28.27
CC(CC1=CC=C(F)C=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430809	0	39	0.0	-33.26	337.24	9.75	-23.51
CC(CCN1C=CC=N1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430810	0	39	0.0	-33.12	337.87	7.73	-25.39
CC(CC1=CC=C(Cl)C=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430811	0	39	0.0	-32.40	347.50	10.19	-22.21
CC(CN1C=CC=N1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430812	0	36	0.0	-42.35	317.60	7.11	-35.24
CC(CCC1=CC=C(F)C=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430813	0	42	0.0	-39.07	359.39	10.53	-28.54
CC(CC1CCOCC1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430814	0	43	0.0	-35.53	346.56	7.55	-27.98
CC(CCC1CCCCC1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430815	0	48	0.0	-32.95	373.82	10.64	-22.31
CC(CCC1=CC=CC=C1F)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430816	0	42	0.0	-31.35	362.44	10.58	-20.77
CC(CC1CCCC1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430817	0	42	0.0	-31.95	336.27	9.29	-22.66
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430818	0	42	0.0	-34.40	370.09	10.70	-23.70
CC(C)C1=CC=C(CC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018430819	0	45	0.0	-37.47	381.75	11.13	-26.34
CC(CC1CCOC1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430820	0	40	0.0	-34.62	326.68	6.73	-27.89
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC(C(F)(F)F)CC1	REAL300018430821	0	39	0.0	-31.66	330.31	8.97	-22.69
CC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CN(CC2=CC=CC=C2)C1	REAL300018430822	0	51	0.0	-37.03	413.42	9.59	-27.44
CC1=CN2C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=C2C=C1	REAL300018430823	0	39	0.0	-41.11	349.70	9.63	-31.48
CC(CCC(C)(C)C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430824	0	44	0.0	-32.42	348.34	9.13	-23.29
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2OC=CC2=C1	REAL300018430825	0	36	0.0	-37.08	326.56	8.73	-28.35
CN(C)CC1=CN=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018430826	0	40	0.0	-30.60	363.20	5.16	-25.44
COCC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NO1	REAL300018430827	0	36	0.0	-40.20	331.92	5.68	-34.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1=CC=C(Cl)C=C1	REAL300018430828	0	36	0.0	-40.34	339.57	9.77	-30.57
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300018430829	0	36	0.0	-35.53	322.23	6.66	-28.87
CC(C)N1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430830	0	38	0.0	-43.09	337.07	6.31	-36.78
CN(C)CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NO1	REAL300018430831	0	40	0.0	-38.43	354.51	5.49	-32.94
CC1=CC=CC=C1N1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430832	0	42	0.0	-44.05	370.15	9.02	-35.03
CCOC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1SC	REAL300018430833	0	41	0.0	-32.26	361.57	7.72	-24.54
COCCOCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018430834	0	47	0.0	-35.11	409.72	8.35	-26.76
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300018430836	0	46	0.0	-32.53	382.72	11.58	-20.95
COC1=CC=C(F)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430837	0	37	0.0	-32.19	335.87	7.90	-24.29
CC1(C2=CC=CC=C2)CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430838	0	43	0.0	-34.79	361.53	10.54	-24.25
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300018430839	0	36	0.0	-35.74	336.51	7.35	-28.39
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300018430840	0	43	0.0	-33.51	367.09	11.06	-22.45
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=CS1	REAL300018430841	0	33	0.0	-32.87	308.57	8.18	-24.69
CS(=O)(=O)CC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430842	0	45	0.0	-41.48	376.86	6.06	-35.42
CC1=CN=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018430843	0	32	0.0	-30.23	308.03	6.40	-23.83
COCC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430844	0	43	0.0	-35.23	353.88	7.56	-27.67
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300018430845	0	43	0.0	-32.65	381.11	10.41	-22.24
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2CCCC2=N1	REAL300018430846	0	39	0.0	-38.25	341.83	8.50	-29.75
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NN1C1CCCC1	REAL300018430847	0	43	0.0	-32.66	363.34	8.83	-23.83
CCN1N=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018430848	0	35	0.0	-38.66	320.01	5.50	-33.16
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300018430849	0	40	0.0	-33.93	350.58	10.57	-23.36
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(C2CC2)CC1	REAL300018430850	0	42	0.0	-34.20	341.41	6.68	-27.52
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430851	0	34	0.0	-42.71	310.70	6.10	-36.61
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430852	0	43	0.0	-36.40	384.82	10.30	-26.10
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1C(F)(F)F	REAL300018430853	0	39	0.0	-36.22	353.60	9.91	-26.31
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300018430854	0	39	0.0	-35.21	350.81	8.09	-27.12
CCC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1O	REAL300018430855	0	40	0.0	-33.14	350.00	7.16	-25.98
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300018430856	0	39	0.0	-35.27	344.52	7.59	-27.68
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(Br)=C1	REAL300018430857	0	33	0.0	-33.27	322.62	9.08	-24.19
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018430858	0	41	0.0	-36.65	357.92	7.59	-29.06
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300018430859	0	36	0.0	-37.07	329.90	9.55	-27.52
CCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018430860	0	44	0.0	-38.59	381.94	8.59	-30.00
CC1=CC=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430861	0	36	0.0	-31.76	314.63	8.96	-22.80
CCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018430862	0	39	0.0	-33.61	344.22	9.91	-23.70
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300018430863	0	40	0.0	-38.14	365.83	10.35	-27.79
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1C	REAL300018430864	0	39	0.0	-32.48	337.59	9.60	-22.88
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Br)=CS1	REAL300018430865	0	30	0.0	-33.70	313.03	8.20	-25.50
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018430866	0	39	0.0	-37.86	370.43	9.25	-28.61
CC1=NN(C)C(Cl)=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430867	0	36	0.0	-30.86	339.51	7.11	-23.75
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300018430868	0	40	0.0	-38.34	359.69	9.68	-28.66
CCOC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018430869	0	40	0.0	-32.18	350.54	8.62	-23.56
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1OCO2	REAL300018430870	0	36	0.0	-29.97	326.02	7.08	-22.89
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCCCCC1	REAL300018430871	0	42	0.0	-33.13	319.88	8.60	-24.53
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSN=N1	REAL300018430872	0	28	0.0	-42.62	279.97	4.85	-37.77
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430873	0	42	0.0	-39.32	372.21	7.47	-31.85
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300018430874	0	36	0.0	-32.67	348.64	9.85	-22.82
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300018430875	0	33	0.0	-38.95	321.78	8.95	-30.00
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300018430876	0	36	0.0	-41.60	343.50	9.44	-32.16
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300018430877	0	33	0.0	-29.08	330.77	9.42	-19.66
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300018430878	0	36	0.0	-37.96	334.16	9.53	-28.43
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300018430879	0	36	0.0	-38.16	346.80	9.55	-28.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(F)=CC=C1Br	REAL300018430880	0	33	0.0	-28.81	324.01	9.09	-19.72
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300018430881	0	33	0.0	-30.88	323.63	9.00	-21.88
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300018430882	0	33	0.0	-36.05	312.01	8.53	-27.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300018430883	0	42	0.0	-40.11	373.06	10.35	-29.76
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430884	0	48	0.0	-36.39	395.35	9.01	-27.38
CC1=NN(C)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430885	0	36	0.0	-34.99	323.80	6.86	-28.13
CCC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300018430886	0	42	0.0	-36.55	356.88	10.41	-26.14
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(Br)=C1	REAL300018430887	0	36	0.0	-32.49	335.23	9.67	-22.82
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300018430888	0	37	0.0	-37.73	338.78	9.83	-27.90
CCN1N=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430889	0	36	0.0	-33.37	319.05	7.01	-26.36
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300018430890	0	35	0.0	-29.36	323.04	7.46	-21.90
COC1=CC=C2OC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC2=C1	REAL300018430891	0	40	0.0	-39.39	358.69	8.28	-31.11
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2=CC=CC=C2O1	REAL300018430892	0	39	0.0	-32.17	348.75	9.59	-22.58
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=COC2=CC=CC=C12	REAL300018430893	0	36	0.0	-32.97	327.09	8.76	-24.21
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1Br	REAL300018430894	0	36	0.0	-32.20	338.68	9.58	-22.62
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C2C=NC=CN12	REAL300018430895	0	35	0.0	-36.82	322.99	7.14	-29.68
CC1=CN2C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CN=C2C=C1	REAL300018430896	0	39	0.0	-34.07	347.41	9.48	-24.59
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300018430897	0	35	0.0	-37.59	333.20	7.95	-29.64
CN1C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300018430898	0	39	0.0	-41.29	365.32	9.34	-31.95
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430899	0	39	0.0	-32.07	351.08	10.03	-22.04
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300018430900	0	37	0.0	-39.38	344.67	8.04	-31.34
CC1=NN2C(=NC(C)=C2C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018430901	0	38	0.0	-32.04	353.52	7.56	-24.48
CN1C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300018430902	0	39	0.0	-31.29	364.55	9.34	-21.95
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C(C)O1	REAL300018430903	0	36	0.0	-35.02	323.17	8.08	-26.94
COC1=CC(Cl)=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018430904	0	37	0.0	-29.82	357.38	8.68	-21.14
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018430905	0	42	0.0	-40.06	373.02	10.10	-29.96
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1CCOC2=CC=CC=C21	REAL300018430906	0	41	0.0	-36.84	345.72	8.80	-28.04
CC1CCC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430907	0	42	0.0	-35.18	343.19	9.41	-25.77
CC1(C)CCC2=C(C1)SC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N2	REAL300018430908	0	45	0.0	-29.06	384.24	9.09	-19.97
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300018430909	0	40	0.0	-35.53	363.22	6.61	-28.92
CCCC(CCC)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430910	0	41	0.0	-32.71	335.85	8.89	-23.82
CC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1C	REAL300018430911	0	42	0.0	-33.14	325.58	8.50	-24.64
CC1=CC(Cl)=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430912	0	36	0.0	-33.57	332.91	9.59	-23.98
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=CC(Br)=C1	REAL300018430913	0	32	0.0	-36.86	317.50	7.29	-29.57
CCN1N=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300018430914	0	42	0.0	-36.41	370.94	9.18	-27.23
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=C(Cl)S1	REAL300018430915	0	29	0.0	-30.78	303.18	6.22	-24.56
CCSC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018430916	0	40	0.0	-31.80	360.86	10.25	-21.55
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCSCC1=CC=CC=C1	REAL300018430917	0	40	0.0	-39.09	367.54	10.58	-28.51
CCCC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018430918	0	42	0.0	-33.58	365.72	10.68	-22.90
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCCC1=CC=C2OCCC2=C1	REAL300018430919	0	44	0.0	-39.29	380.23	9.86	-29.43
CC1=CCCC(C)C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430920	0	43	0.0	-31.72	339.47	9.38	-22.34
CCCCC(COC)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430921	0	42	0.0	-31.38	344.43	8.16	-23.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300018430922	0	33	0.0	-36.13	324.48	9.05	-27.08
CC(C)OC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430923	0	40	0.0	-35.61	339.46	7.27	-28.34
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC(CC2=CC=CC=C2)C1	REAL300018430924	0	46	0.0	-37.72	376.79	11.36	-26.36
CC1(C2=CC=CC=C2)CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430925	0	46	0.0	-35.20	371.03	10.93	-24.27
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018430926	0	36	0.0	-37.52	326.22	5.09	-32.43
CC(CC1=CC=CC=C1F)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430927	0	39	0.0	-39.51	340.47	9.73	-29.78
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018430928	0	43	0.0	-43.11	391.99	10.21	-32.90
CC(CC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300018430929	0	42	0.0	-35.34	357.30	10.33	-25.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCCC1=C(F)C=CC=C1Cl	REAL300018430930	0	39	0.0	-35.59	363.70	10.47	-25.12
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1CCCCC1	REAL300018430931	0	42	0.0	-34.64	341.47	9.33	-25.31
CC1=NC2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C2C=C1	REAL300018430932	0	41	0.0	-37.87	364.04	9.44	-28.43
CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300018430933	0	39	0.0	-37.70	351.92	10.20	-27.50
CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=C(F)C=C1	REAL300018430934	0	39	0.0	-39.27	343.74	9.82	-29.45
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1CCOC1	REAL300018430935	0	37	0.0	-37.06	316.36	6.26	-30.80
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300018430936	0	33	0.0	-29.51	322.31	8.98	-20.53
CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300018430937	0	39	0.0	-36.81	337.34	9.78	-27.03
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(Br)O1	REAL300018430938	0	30	0.0	-37.37	301.63	7.25	-30.12
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430939	0	39	0.0	-34.94	355.19	10.10	-24.84
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(CCCO2)CC1	REAL300018430940	0	44	0.0	-31.44	353.77	8.05	-23.39
COC1=CC=C2N=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])SC2=C1	REAL300018430941	0	39	0.0	-33.46	362.98	7.28	-26.18
COC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018430942	0	36	0.0	-39.18	328.50	5.13	-34.05
CC(C)(C)N1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=N1	REAL300018430943	0	41	0.0	-42.63	355.95	6.83	-35.80
CCN(C)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018430944	0	43	0.0	-36.23	369.64	9.18	-27.05
COCCN(C)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018430945	0	47	0.0	-36.77	401.12	8.51	-28.26
CC(C)N(C)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018430946	0	46	0.0	-35.95	385.91	9.66	-26.29
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300018430947	0	44	0.0	-34.17	382.22	10.20	-23.97
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300018430948	0	40	0.0	-28.64	357.70	10.09	-18.55
CC(C)=CCCC(C)CC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430949	0	48	0.0	-35.00	392.31	10.87	-24.13
C#CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018430950	0	35	0.0	-35.62	326.44	9.59	-26.03
CC(C)C1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CS1	REAL300018430951	0	40	0.0	-36.53	336.22	8.75	-27.78
COC1=CC=C(CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1O	REAL300018430952	0	47	0.0	-40.48	393.24	7.60	-32.88
CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=CC=N1	REAL300018430953	0	35	0.0	-28.51	311.78	7.53	-20.98
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CC2=CC=CC=C2)CC1	REAL300018430954	0	48	0.0	-33.98	391.75	8.84	-25.14
CC(C)(C)C1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430955	0	48	0.0	-34.02	367.60	9.80	-24.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC(C2=CC=CC=C2)CC1	REAL300018430956	0	46	0.0	-36.16	375.23	11.23	-24.93
CCCC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430957	0	45	0.0	-34.77	360.67	9.87	-24.90
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCSCC1	REAL300018430958	0	34	0.0	-35.39	299.01	7.53	-27.86
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCN(CC2=CC=CC=C2)C1	REAL300018430959	0	48	0.0	-37.55	393.31	9.03	-28.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(C2=CC=CC=C2)CC1	REAL300018430960	0	45	0.0	-35.67	367.84	8.75	-26.92
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCSC1	REAL300018430961	0	34	0.0	-37.31	298.77	7.55	-29.76
CC1(C)CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430962	0	42	0.0	-34.48	334.07	8.74	-25.74
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCC(C2CC2)C1	REAL300018430963	0	43	0.0	-34.47	350.08	9.91	-24.56
CC1(C2=CC=CC=C2)CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430964	0	49	0.0	-30.72	378.55	11.59	-19.13
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2CC1C1CCCC21	REAL300018430967	0	44	0.0	-33.26	338.28	9.63	-23.63
CC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCO1	REAL300018430968	0	37	0.0	-33.31	303.31	5.89	-27.42
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(C(F)F)C=C1	REAL300018430969	0	33	0.0	-38.08	317.56	6.37	-31.71
CC1=CC=C(F)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430970	0	36	0.0	-35.70	322.54	9.15	-26.55
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(F)=CC=C1O	REAL300018430971	0	34	0.0	-33.63	316.07	5.70	-27.93
CCC1=NOC(C2CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC2)=N1	REAL300018430972	0	47	0.0	-32.51	383.16	7.23	-25.28
CC(C)C1CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCO1	REAL300018430973	0	46	0.0	-34.31	369.02	8.53	-25.78
CCC1CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCO1	REAL300018430974	0	43	0.0	-37.36	353.30	7.91	-29.45
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300018430975	0	36	0.0	-35.44	336.79	9.58	-25.86
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300018430976	0	41	0.0	-38.13	365.94	10.15	-27.98
CC(C)N1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018430977	1	44	0.0	-33.59	350.06	6.66	-26.93
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CC(F)(F)F)CC1	REAL300018430978	0	41	0.0	-34.94	352.04	6.66	-28.28
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(C2=CC=CC=N2)CC1	REAL300018430979	0	44	0.0	-37.52	364.17	8.13	-29.39
COC1=CC=C(N2CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC2)C=C1	REAL300018430981	0	49	0.0	-36.64	395.99	7.99	-28.65
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CCC(F)(F)F)CC1	REAL300018430983	0	44	0.0	-36.75	373.94	7.26	-29.49
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430984	0	47	0.0	-30.38	402.28	11.22	-19.16
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300018430985	0	37	0.0	-37.60	351.15	9.74	-27.86
CC(CCC1=CC=CC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018430986	0	42	0.0	-35.37	353.04	10.47	-24.90
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2=CC=CC=C2)C1	REAL300018430987	0	40	0.0	-36.20	345.31	10.23	-25.97
CC1=CC=C(C2CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2)C=C1	REAL300018430988	0	43	0.0	-35.09	363.77	10.84	-24.25
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2=CC=CC(F)=C2)C1	REAL300018430989	0	40	0.0	-35.18	338.13	9.70	-25.48
CC1=CC=CC=C1C1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430990	0	43	0.0	-36.11	362.28	10.76	-25.35
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2=CC=CC=C2F)C1	REAL300018430991	0	40	0.0	-33.86	349.56	10.28	-23.58
CCOC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C12CCC2	REAL300018430992	0	44	0.0	-29.69	352.20	8.12	-21.57
CCOC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018430993	0	37	0.0	-38.48	310.01	6.09	-32.39
CC(C)CN1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018430994	0	42	0.0	-34.45	362.54	8.73	-25.72
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CC(F)F)CC1	REAL300018430995	0	41	0.0	-34.75	345.47	6.51	-28.24
COC1=CC=CC2=C1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2	REAL300018430996	0	44	0.0	-38.53	366.68	9.35	-29.18
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCCC1CCCCC1	REAL300018430997	0	45	0.0	-34.75	362.96	10.11	-24.64
COC1(CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCC1	REAL300018430998	0	43	0.0	-28.64	336.05	7.47	-21.17
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(SC2=CC=CC=N2)O1	REAL300018430999	0	40	0.0	-38.74	377.41	9.64	-29.10
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1CC2=CC=CC=C2C1	REAL300018431000	0	40	0.0	-37.41	342.65	10.21	-27.20
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1F	REAL300018431348	0	36	0.0	-33.03	325.90	9.10	-23.93
CC(C)=CCCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431350	0	42	0.0	-32.67	346.62	9.49	-23.18
CC1(C)CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC(C)(C)C1	REAL300018431351	0	48	0.0	-33.46	369.14	9.70	-23.76
CC(CCC1=CNC2=CC=CC=C12)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431352	0	46	0.0	-37.22	384.95	10.53	-26.69
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(Cl)=C1OC	REAL300018431353	0	41	0.0	-29.44	373.83	8.17	-21.27
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018431354	0	40	0.0	-35.23	368.70	11.09	-24.14
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018431355	0	36	0.0	-36.80	338.72	10.00	-26.80
CC(C)OC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431356	0	43	0.0	-34.83	368.47	9.24	-25.59
CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018431357	0	54	0.0	-34.60	432.15	12.74	-21.86
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1F	REAL300018431358	0	36	0.0	-35.41	325.89	9.09	-26.32
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018431359	0	37	0.0	-33.54	331.37	8.43	-25.11
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018431360	0	32	0.0	-45.86	320.06	8.23	-37.63
CC1CC(C)CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431361	0	42	0.0	-34.14	331.17	8.74	-25.40
CC(C)CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431362	0	45	0.0	-32.48	380.38	11.08	-21.40
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C2)C=C1	REAL300018431363	0	46	0.0	-36.18	396.95	12.55	-23.63
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300018431364	0	39	0.0	-33.37	344.15	9.79	-23.58
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018431365	0	39	0.0	-40.35	354.71	9.13	-31.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018431366	0	33	0.0	-34.67	332.64	9.40	-25.27
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431367	0	46	0.0	-35.92	396.05	12.51	-23.41
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018431368	0	37	0.0	-35.44	338.44	7.97	-27.47
CCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OCC	REAL300018431369	0	47	0.0	-37.42	401.64	9.43	-27.99
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=CS1	REAL300018431370	0	29	0.0	-29.96	284.80	5.57	-24.39
CC(C)C1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431371	0	45	0.0	-34.72	356.00	9.58	-25.14
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018431372	0	36	0.0	-40.67	351.08	9.80	-30.87
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018431373	0	33	0.0	-27.48	322.70	9.05	-18.43
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018431374	0	36	0.0	-42.66	340.94	7.57	-35.09
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018431375	0	38	0.0	-35.86	337.78	8.72	-27.14
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018431376	0	37	0.0	-33.69	345.17	8.19	-25.50
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431377	0	39	0.0	-43.31	362.05	5.98	-37.33
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431378	0	47	0.0	-36.16	407.42	11.46	-24.70
CC(CCOCC1=CC=CC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431379	0	46	0.0	-35.57	387.56	9.77	-25.80
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018431380	0	40	0.0	-37.25	359.98	10.67	-26.58
CC(C)CCCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431381	0	44	0.0	-32.62	353.67	9.51	-23.11
CCCCC(CC)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431382	0	41	0.0	-32.54	323.97	8.69	-23.85
CCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431383	0	36	0.0	-33.82	333.60	9.11	-24.71
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431384	0	39	0.0	-42.04	348.59	8.83	-33.21
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018431385	0	38	0.0	-36.40	337.22	8.31	-28.09
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(Br)=C1	REAL300018431386	0	30	0.0	-36.50	312.99	8.15	-28.35
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018431387	0	44	0.0	-36.73	373.10	8.30	-28.43
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431388	0	41	0.0	-38.37	376.44	5.01	-33.36
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=CS1	REAL300018431389	0	29	0.0	-35.13	286.08	5.71	-29.42
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018431390	0	37	0.0	-32.75	332.51	8.49	-24.26
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018431391	0	37	0.0	-35.77	330.55	8.42	-27.35
CC1=NN(C)C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431392	0	36	0.0	-34.53	322.57	6.58	-27.95
CC(CC1=CC=CS1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431393	0	36	0.0	-32.78	319.53	8.40	-24.38
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018431394	0	36	0.0	-30.59	340.91	7.56	-23.03
CC1(C)CCC2=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300018431395	0	47	0.0	-34.84	391.94	10.29	-24.55
CC(CC(C)(C)C1=CC=CC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431396	0	48	0.0	-31.88	373.65	11.14	-20.74
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018431397	0	42	0.0	-35.82	369.24	10.07	-25.75
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018431398	0	42	0.0	-37.73	370.76	10.12	-27.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC=N1	REAL300018431399	0	29	0.0	-37.36	285.95	5.47	-31.89
CN1CCN(C2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C2)CC1	REAL300018431400	1	50	0.0	-34.47	409.23	7.13	-27.34
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018431401	0	42	0.0	-38.91	382.75	6.97	-31.94
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018431402	0	43	0.0	-38.99	359.81	6.26	-32.73
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018431403	0	47	0.0	-34.94	388.81	7.19	-27.75
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018431404	0	40	0.0	-36.61	364.42	9.67	-26.94
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018431405	0	40	0.0	-36.99	376.89	10.20	-26.79
CC(C)(C)N1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431406	0	42	0.0	-33.48	361.96	8.21	-25.27
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018431407	0	40	0.0	-37.24	372.28	9.15	-28.09
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018431408	0	43	0.0	-38.45	370.35	8.35	-30.10
COCCOC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431410	0	44	0.0	-33.90	384.16	7.89	-26.01
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018431411	0	37	0.0	-34.47	344.71	8.24	-26.23
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018431412	0	38	0.0	-43.01	359.44	7.32	-35.69
COC1=NC=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431413	0	36	0.0	-29.18	324.97	5.17	-24.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(Br)C=N1	REAL300018431414	0	32	0.0	-38.93	317.63	7.24	-31.69
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018431415	0	42	0.0	-35.73	372.85	5.71	-30.02
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018431416	0	38	0.0	-36.09	337.45	8.72	-27.37
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018431417	0	40	0.0	-35.37	372.27	9.16	-26.21
CC1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431418	0	32	0.0	-34.95	308.04	6.43	-28.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018431419	0	39	0.0	-30.88	344.26	7.69	-23.19
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018431420	0	42	0.0	-32.15	361.16	8.49	-23.66
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018431421	0	40	0.0	-34.54	348.45	10.15	-24.39
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018431422	0	40	0.0	-33.17	358.21	10.66	-22.51
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018431423	0	41	0.0	-39.47	370.50	9.75	-29.72
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018431424	0	44	0.0	-39.79	379.48	6.85	-32.94
CCCOC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431425	0	43	0.0	-32.84	374.19	9.50	-23.34
CC(CN1C=NC=N1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431426	0	35	0.0	-31.28	305.39	8.73	-22.55
C#CCCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431427	0	42	0.0	-36.19	379.99	10.01	-26.18
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018431428	0	40	0.0	-35.52	367.38	11.05	-24.47
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018431429	0	40	0.0	-34.92	375.89	11.17	-23.75
CC1=C2C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=NC2=NN1	REAL300018431430	0	38	0.0	-48.39	344.40	6.98	-41.41
CC1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431431	0	34	0.0	-37.94	312.81	6.45	-31.49
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018431432	0	47	0.0	-32.76	395.42	10.67	-22.09
CCC1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431433	0	35	0.0	-34.29	328.20	7.14	-27.15
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C2C=CC=CN12	REAL300018431434	0	36	0.0	-34.54	326.02	8.82	-25.72
CN(C)C1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431435	0	37	0.0	-35.49	342.67	7.46	-28.03
CC(C)OC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431436	0	43	0.0	-31.98	368.45	9.24	-22.74
CC1=CC=C(C2=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CS2)C=C1	REAL300018431437	0	42	0.0	-37.39	385.43	9.86	-27.53
CC(C)C1=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431438	0	38	0.0	-36.94	349.10	7.50	-29.44
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(C2CC2)=N1	REAL300018431439	0	36	0.0	-37.55	337.79	7.69	-29.86
CCC1=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431440	0	35	0.0	-36.01	327.23	6.86	-29.15
CC(CCC1=CC=CC(F)=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431441	0	42	0.0	-37.61	363.29	10.61	-27.00
CC1=CC=CC(CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431442	0	45	0.0	-34.53	378.28	11.21	-23.32
CC1=CC=C(CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431443	0	45	0.0	-35.13	379.58	11.26	-23.87
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC(F)(F)CC1	REAL300018431444	0	36	0.0	-34.90	310.48	7.96	-26.94
CC(C1=CC=CC=C1)N1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431445	0	48	0.0	-32.19	391.45	8.97	-23.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CC2CC2)CC1	REAL300018431446	1	45	0.0	-34.87	361.88	7.38	-27.49
CC(C)(C)C1=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431447	0	41	0.0	-36.04	366.72	7.97	-28.07
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018431448	0	36	0.0	-37.08	355.06	8.12	-28.96
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018431449	0	40	0.0	-38.27	373.44	11.24	-27.03
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018431450	0	45	0.0	-37.44	377.56	8.81	-28.63
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018431451	0	37	0.0	-40.90	335.22	6.80	-34.10
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018431452	0	36	0.0	-40.48	345.03	9.48	-31.00
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431453	0	41	0.0	-33.86	366.86	8.21	-25.65
CC(C)CN1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431454	1	47	0.0	-33.53	374.75	7.84	-25.69
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C(C)S1	REAL300018431455	0	36	0.0	-32.32	329.19	8.93	-23.39
CC1=CC=C(C2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S2)C=C1	REAL300018431456	0	43	0.0	-35.95	389.26	11.88	-24.07
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431457	0	37	0.0	-30.20	363.58	8.91	-21.29
C#CCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431458	0	39	0.0	-36.94	358.50	9.24	-27.70
CCOC1=C(OC)C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018431459	0	48	0.0	-38.65	412.95	8.45	-30.20
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018431460	0	47	0.0	-35.88	386.95	7.23	-28.65
CC(C)(C)N1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431461	1	47	0.0	-33.64	364.33	6.98	-26.66
COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1SC	REAL300018431462	0	41	0.0	-36.18	368.09	8.74	-27.44
CCC(C)OC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300018431463	0	50	0.0	-36.93	420.62	10.00	-26.93
C=C(C)COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300018431464	0	48	0.0	-37.59	412.07	9.87	-27.72
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018431465	0	54	0.0	-36.03	422.66	4.58	-31.45
CCOCC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300018431466	0	47	0.0	-36.63	402.77	8.60	-28.03
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018431467	0	40	0.0	-37.90	360.74	8.39	-29.51
CCN1C=CN=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431468	0	36	0.0	-27.39	316.06	7.73	-19.66
CCCC(CC1=CC=CC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431469	0	45	0.0	-35.74	367.74	10.80	-24.94
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300018431470	0	39	0.0	-45.02	354.24	8.29	-36.73
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018431471	0	39	0.0	-31.40	364.48	9.23	-22.17
C=CCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018431472	0	41	0.0	-38.66	379.47	9.75	-28.91
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018431473	0	39	0.0	-36.26	366.37	9.49	-26.77
COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018431474	0	45	0.0	-29.46	387.76	8.34	-21.12
CN1N=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300018431475	0	39	0.0	-37.46	351.28	8.39	-29.07
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300018431476	0	36	0.0	-38.60	328.22	7.08	-31.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NNC2=CC=CC=C21	REAL300018431476	1	36	0.0	-30.60	326.27	7.02	-23.58
CN(C)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1F	REAL300018431477	0	41	0.0	-35.51	362.24	8.02	-27.49
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018431478	0	36	0.0	-42.45	336.54	7.97	-34.48
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431480	0	48	0.0	-35.31	407.47	12.17	-23.14
CC1(C)CC2=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300018431481	0	44	0.0	-36.00	377.42	9.68	-26.32
CC1=NSC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431482	0	32	0.0	-38.71	307.89	6.88	-31.83
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300018431483	0	39	0.0	-40.18	355.84	6.82	-33.36
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018431484	0	36	0.0	-38.45	355.65	8.22	-30.23
CC(CC1=CSC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431485	0	36	0.0	-35.89	324.08	8.66	-27.23
CC1=CSC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431486	0	32	0.0	-30.26	307.92	6.19	-24.07
COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018431487	0	40	0.0	-36.75	368.57	8.74	-28.01
CC1=NC=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431488	0	35	0.0	-33.47	311.23	7.26	-26.21
CC(CSC(C)(C)C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431489	0	42	0.0	-27.52	352.37	9.11	-18.41
CN(C)C1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N1C	REAL300018431490	0	41	0.0	-34.28	359.95	7.55	-26.73
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC(C2=CC=CC=C2)=CN1	REAL300018431491	0	40	0.0	-43.39	360.25	8.78	-34.61
CC(C)OCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431492	0	39	0.0	-27.85	331.30	6.94	-20.91
CC(C)COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431493	0	46	0.0	-33.80	392.15	10.12	-23.68
COCCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431494	0	44	0.0	-36.08	384.17	7.89	-28.19
COCC(CC(C)C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431495	0	42	0.0	-28.48	346.96	7.18	-21.30
CC1(C)CCCC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431496	0	45	0.0	-33.95	356.32	9.68	-24.27
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018431497	0	37	0.0	-38.89	356.62	8.59	-30.30
CC1=CC(N(C)C)=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431498	0	44	0.0	-32.45	368.61	9.49	-22.96
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018431499	0	40	0.0	-34.06	346.85	10.38	-23.68
CC1=CC=CC=C1CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431500	0	42	0.0	-35.62	349.87	10.18	-25.44
CC1=CC=CC(CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431501	0	42	0.0	-29.71	352.19	10.34	-19.37
COC1=CC2=C(C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])OCO2	REAL300018431502	0	40	0.0	-32.96	353.34	6.41	-26.55
COC1=CC(Cl)=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018431503	0	41	0.0	-35.89	370.63	8.12	-27.77
COC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])SC=C1	REAL300018431504	0	34	0.0	-30.29	321.45	6.87	-23.42
CC(C)COC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431505	0	46	0.0	-32.69	394.29	10.19	-22.50
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018431506	0	39	0.0	-34.80	347.86	10.64	-24.16
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1CCOCC1	REAL300018431507	0	40	0.0	-37.03	334.76	7.02	-30.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1CCSCC1	REAL300018431508	0	37	0.0	-37.85	319.76	8.44	-29.41
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1CCCCCC1	REAL300018431509	0	42	0.0	-33.99	332.09	9.10	-24.89
CC1(C)CC2=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C2O1	REAL300018431510	0	44	0.0	-27.61	376.39	9.60	-18.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018431511	0	39	0.0	-29.91	349.86	8.21	-21.70
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NC=C1Br	REAL300018431512	0	32	0.0	-35.01	309.82	7.22	-27.79
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NC=C1Cl	REAL300018431513	0	32	0.0	-35.36	305.48	7.09	-28.27
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018431514	0	33	0.0	-36.17	329.04	9.15	-27.02
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NN1C	REAL300018431515	0	36	0.0	-36.86	322.37	6.60	-30.26
CC(CC1=CC=C(F)C=C1Cl)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431516	0	39	0.0	-40.27	353.97	10.13	-30.14
CCC1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431517	0	37	0.0	-37.34	332.97	7.01	-30.33
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018431518	0	40	0.0	-43.03	359.75	9.67	-33.36
CCN1C=NC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431519	0	36	0.0	-32.74	321.25	8.47	-24.27
CC1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N1C	REAL300018431520	0	36	0.0	-34.02	321.87	7.44	-26.58
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018431521	0	38	0.0	-38.42	341.02	8.91	-29.51
CC1=C(Br)SC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431522	0	33	0.0	-35.48	330.67	8.83	-26.65
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C2CCCN12	REAL300018431523	0	37	0.0	-34.52	325.18	7.96	-26.56
CS(=O)(=O)N1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431524	0	41	0.0	-47.63	353.66	4.24	-43.39
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)C=N1	REAL300018431525	0	32	0.0	-38.81	300.56	6.64	-32.17
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])SC=N1	REAL300018431526	0	32	0.0	-33.76	303.09	6.15	-27.61
COC1=CC(F)=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431527	0	37	0.0	-35.12	335.09	7.76	-27.36
CC(CC1=CN=CC=N1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431528	0	37	0.0	-29.72	318.60	6.72	-23.00
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431529	0	43	0.0	-37.50	372.96	8.43	-29.07
COC1=CC=CC=C1N1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431530	0	49	0.0	-38.31	398.26	8.27	-30.04
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300018431531	0	36	0.0	-33.32	333.39	9.59	-23.73
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018431532	0	35	0.0	-45.17	339.86	9.43	-35.74
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018431533	0	36	0.0	-41.19	339.60	9.75	-31.44
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S2)C=C1	REAL300018431534	0	42	0.0	-35.60	386.44	10.13	-25.47
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018431535	0	38	0.0	-29.05	355.70	9.42	-19.63
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018431536	0	38	0.0	-29.49	355.01	9.40	-20.09
CS(=O)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431537	0	38	0.0	-40.66	351.40	6.99	-33.67
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018431538	0	35	0.0	-33.10	340.94	9.54	-23.56
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018431539	0	40	0.0	-39.65	373.91	10.45	-29.20
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])O1	REAL300018431540	0	43	0.0	-38.48	388.48	11.11	-27.37
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])O2)C=C1	REAL300018431541	0	46	0.0	-37.25	402.31	11.73	-25.52
CCC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCO1	REAL300018431542	0	40	0.0	-31.29	327.03	7.23	-24.06
CC(C)C1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCO1	REAL300018431543	0	43	0.0	-33.87	348.20	7.62	-26.25
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018431544	0	43	0.0	-33.34	364.03	10.96	-22.38
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018431545	0	52	0.0	-34.96	397.63	11.46	-23.50
CC(C)CC(C)CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431546	0	47	0.0	-31.59	367.39	9.88	-21.71
CC1=CC=C(C(C)C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431547	0	42	0.0	-36.81	358.75	10.46	-26.35
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1C(C)(C)C	REAL300018431548	0	49	0.0	-34.90	402.01	10.45	-24.45
COCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])O1	REAL300018431549	0	37	0.0	-37.79	335.50	6.41	-31.38
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431550	0	46	0.0	-31.79	379.58	9.53	-22.26
CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300018431551	0	45	0.0	-34.86	357.18	9.91	-24.95
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431552	0	38	0.0	-44.27	355.58	3.43	-40.84
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018431553	0	40	0.0	-35.65	352.25	10.41	-25.24
CCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018431554	0	43	0.0	-32.49	365.35	9.23	-23.26
COC1=CC(C)=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431555	0	40	0.0	-28.44	348.73	8.41	-20.03
NC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431556	0	35	0.0	-33.53	341.68	7.52	-26.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018431557	0	43	0.0	-39.41	367.72	10.86	-28.55
CC1=NC(C)=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])O1	REAL300018431558	0	35	0.0	-37.53	319.37	4.61	-32.92
COCC1=CSC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431559	0	37	0.0	-35.23	346.86	7.30	-27.93
CCCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431560	0	39	0.0	-33.31	354.27	9.86	-23.45
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=C1	REAL300018431561	0	35	0.0	-37.46	317.75	7.29	-30.17
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NS1	REAL300018431562	0	29	0.0	-38.81	286.14	6.29	-32.52
CC(C)N1C=CN=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431563	0	39	0.0	-38.30	342.19	8.28	-30.02
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018431564	0	38	0.0	-36.24	337.65	9.54	-26.70
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1Br	REAL300018431565	0	36	0.0	-34.49	338.67	9.58	-24.91
COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300018431566	0	37	0.0	-36.66	344.71	8.24	-28.42
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431567	0	33	0.0	-33.73	313.20	8.22	-25.51
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018431568	0	36	0.0	-29.82	326.52	8.72	-21.10
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018431569	0	40	0.0	-39.04	358.07	9.51	-29.53
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018431570	0	32	0.0	-38.07	326.08	6.83	-31.24
CC1CSCC1[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431571	0	34	0.0	-36.57	302.23	7.61	-28.96
CCC1=NN(C)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431572	0	39	0.0	-33.78	343.13	7.53	-26.25
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN2CCCCC2=C1	REAL300018431573	0	40	0.0	-37.05	345.93	7.80	-29.25
CCC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431574	0	39	0.0	-32.71	342.07	9.82	-22.89
COC1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431575	0	33	0.0	-36.62	318.85	4.08	-32.54
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018431576	0	37	0.0	-36.91	338.46	10.00	-26.91
CC1=NC=CN=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431577	0	34	0.0	-30.69	308.11	5.27	-25.42
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(CC2)CC1	REAL300018431578	0	40	0.0	-33.36	329.39	9.08	-24.28
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018431579	0	38	0.0	-37.46	338.61	5.74	-31.72
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018431580	0	36	0.0	-35.65	344.90	9.41	-26.24
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1C[C@@H]2CC[C@@H](C2)C1	REAL300018431581	0	40	0.0	-28.32	299.47	9.09	-19.23
CC1=CC=CN2C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CN=C12	REAL300018431582	0	39	0.0	-34.44	347.47	9.42	-25.02
CCN1N=CN=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431583	0	35	0.0	-30.34	314.72	7.64	-22.70
CN1C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CN=C1Cl	REAL300018431584	0	33	0.0	-34.69	316.35	7.29	-27.40
CN1C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CN=C1Br	REAL300018431585	0	33	0.0	-34.58	320.65	7.32	-27.26
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018431586	0	39	0.0	-45.16	358.50	8.28	-36.88
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018431587	0	33	0.0	-38.82	322.40	5.80	-33.02
CC1=CN=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N1C	REAL300018431588	0	36	0.0	-40.16	321.65	7.31	-32.85
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018431589	0	37	0.0	-35.60	339.73	8.49	-27.11
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018431590	0	37	0.0	-37.73	339.63	8.48	-29.25
CCOC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431591	0	39	0.0	-38.96	350.36	6.06	-32.90
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431592	0	36	0.0	-32.52	330.80	9.46	-23.06
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018431593	0	35	0.0	-38.74	332.14	8.17	-30.57
CC1=CC=CC2=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N21	REAL300018431594	0	39	0.0	-32.35	330.95	9.07	-23.28
CC(CCC1=NNC2=CC=CC=C21)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431595	0	45	0.0	-38.48	380.11	9.07	-29.41
C=CCCCCCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431596	0	45	0.0	-33.11	370.37	10.34	-22.77
C=CCCCCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431597	0	42	0.0	-33.17	348.87	9.56	-23.61
CC1=CC(Cl)=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431598	0	36	0.0	-32.65	338.15	9.59	-23.06
COCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431599	0	40	0.0	-35.01	356.40	8.20	-26.81
COCC(CC(C)(C)C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431600	0	45	0.0	-29.26	356.40	7.43	-21.83
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018431601	0	38	0.0	-39.42	348.75	8.91	-30.51
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC2=CC=CN=C12	REAL300018431602	0	41	0.0	-36.44	360.42	9.58	-26.86
CC(C)C1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431603	0	45	0.0	-33.72	353.88	9.50	-24.22
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])SN=N1	REAL300018431604	0	31	0.0	-38.15	300.50	5.62	-32.53
CCCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1C	REAL300018431605	0	46	0.0	-34.59	394.26	10.24	-24.35
COC1=C(C)C=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1C	REAL300018431606	0	42	0.0	-29.22	363.53	7.27	-21.95
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431607	0	43	0.0	-29.62	373.09	10.02	-19.60
CCC1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431608	0	42	0.0	-34.27	338.45	9.09	-25.18
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431609	0	36	0.0	-43.52	352.27	5.08	-38.44
NC1=C(F)C=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431610	0	35	0.0	-32.54	317.35	6.58	-25.96
CC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300018431611	0	51	0.0	-33.36	408.81	9.56	-23.80
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018431612	0	36	0.0	-35.16	333.34	9.33	-25.83
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018431613	0	35	0.0	-43.41	340.75	6.44	-36.97
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018431614	0	40	0.0	-31.73	343.49	10.23	-21.50
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC(Cl)=CS1	REAL300018431615	0	29	0.0	-30.84	303.10	6.02	-24.82
COC1=NSC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431616	0	33	0.0	-36.74	317.33	4.35	-32.39
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018431617	0	38	0.0	-29.36	336.82	8.69	-20.67
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=NN1C	REAL300018431618	0	36	0.0	-37.71	319.61	6.69	-31.02
CCN(CC)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1F	REAL300018431619	0	47	0.0	-39.03	400.61	9.53	-29.50
COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C(SC)C=C1OC	REAL300018431620	0	45	0.0	-31.26	395.69	8.61	-22.65
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431621	0	44	0.0	-41.49	371.98	10.82	-30.67
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2CCC(C2)C1	REAL300018431622	0	40	0.0	-28.03	299.34	9.06	-18.97
CC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018431623	0	49	0.0	-34.99	393.76	11.78	-23.21
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(C2CC2)O1	REAL300018431624	0	36	0.0	-37.84	330.05	5.77	-32.07
CC(C)(C)C1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431625	0	42	0.0	-32.78	337.25	8.84	-23.94
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018431626	0	35	0.0	-32.08	339.41	7.98	-24.10
COC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300018431627	0	43	0.0	-35.85	375.81	10.07	-25.78
CCOC1=CN=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431628	0	39	0.0	-36.12	347.62	6.87	-29.25
CCOC1=CC(F)=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431629	0	40	0.0	-35.94	359.11	8.76	-27.18
COC1=CC=C(C(C)C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431630	0	43	0.0	-38.55	366.82	9.07	-29.48
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431631	0	40	0.0	-35.01	353.68	8.14	-26.87
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018431633	0	49	0.0	-34.90	365.09	10.25	-24.65
CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018431634	0	42	0.0	-35.67	342.97	9.91	-25.76
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018431635	0	41	0.0	-38.50	340.79	8.93	-29.57
COC1=CC=CC2=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=CC=C12	REAL300018431636	0	43	0.0	-33.16	369.37	9.92	-23.24
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NN1CC1CC1	REAL300018431637	0	40	0.0	-35.58	354.55	8.46	-27.12
CC(CCC1=CC=CN=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431638	0	41	0.0	-38.44	353.00	8.80	-29.64
CC(C)C1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431639	0	42	0.0	-32.23	359.40	10.31	-21.92
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])O1	REAL300018431640	0	35	0.0	-46.60	338.75	1.59	-45.01
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018431641	0	44	0.0	-38.29	379.65	11.49	-26.80
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018431642	0	47	0.0	-36.79	356.64	7.90	-28.89
COC1=CN=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1C	REAL300018431643	0	39	0.0	-35.01	339.88	6.63	-28.38
CCC1=CNC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431644	0	36	0.0	-39.44	321.96	6.46	-32.98
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018431645	0	36	0.0	-42.33	343.00	9.72	-32.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018431646	0	35	0.0	-40.95	323.94	7.26	-33.69
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018431647	0	33	0.0	-37.64	330.04	8.70	-28.94
CC1=C2C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])NC2=CC=C1	REAL300018431648	0	40	0.0	-35.64	352.85	9.01	-26.63
CCOC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431649	0	43	0.0	-31.30	352.34	7.96	-23.34
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018431650	0	33	0.0	-38.90	331.94	8.61	-30.29
CCCOC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018431651	0	46	0.0	-32.22	386.85	10.03	-22.19
CC1=C(C)NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431652	0	36	0.0	-39.60	322.43	6.32	-33.28
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC1CC1	REAL300018431653	0	45	0.0	-38.01	388.97	9.26	-28.75
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(CCCC2)CC1	REAL300018431654	0	46	0.0	-33.76	355.90	9.94	-23.82
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018431655	0	35	0.0	-40.71	329.35	7.59	-33.12
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018431656	0	43	0.0	-33.60	352.23	10.43	-23.17
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=C(Br)S1	REAL300018431657	0	29	0.0	-30.81	307.82	6.34	-24.47
CCC1(C)CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431658	0	45	0.0	-34.04	347.59	9.19	-24.85
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018431659	0	43	0.0	-37.71	350.51	10.41	-27.30
CN1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C(F)F)=N1	REAL300018431660	0	36	0.0	-31.15	331.56	7.13	-24.02
CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1CCCCCC1	REAL300018431661	0	45	0.0	-32.36	345.74	9.54	-22.82
CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018431662	0	45	0.0	-29.76	386.65	10.82	-18.94
CCC1(CC)CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431663	0	48	0.0	-34.09	361.77	9.70	-24.39
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018431664	0	41	0.0	-32.49	346.01	8.36	-24.13
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018431665	0	40	0.0	-37.93	354.76	10.57	-27.36
CC(CC1=COC2=CC=CC=C12)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431666	0	42	0.0	-38.09	360.40	10.06	-28.03
NS(=O)(=O)C1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431667	0	38	0.0	-39.00	353.41	3.34	-35.66
CCCN1N=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431668	0	39	0.0	-34.02	345.27	7.71	-26.31
CC1=CC=C2C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])NC2=C1	REAL300018431669	0	40	0.0	-35.42	354.59	9.07	-26.35
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2CCCN2N=C1	REAL300018431670	0	37	0.0	-38.23	325.70	7.00	-31.23
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN2CCCC2=C1	REAL300018431671	0	37	0.0	-37.44	325.71	6.90	-30.54
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018431672	0	32	0.0	-32.30	326.69	6.78	-25.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018431673	0	49	0.0	-36.11	388.90	11.70	-24.41
CC(C)C1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431674	0	42	0.0	-34.25	343.64	9.19	-25.06
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018431675	0	35	0.0	-43.71	321.83	5.87	-37.84
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C2)=C1	REAL300018431676	0	49	0.0	-35.88	418.36	13.21	-22.67
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018431677	0	42	0.0	-38.52	368.13	11.84	-26.68
CC1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431678	0	42	0.0	-35.81	331.51	8.89	-26.92
CCC1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431679	0	45	0.0	-35.71	349.47	9.53	-26.18
CC1(C)CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431680	0	45	0.0	-35.24	337.42	8.96	-26.28
CC(C)(C)C1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC1	REAL300018431681	0	51	0.0	-35.26	380.74	10.32	-24.94
CC1CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CCN1C	REAL300018431682	0	41	0.0	-33.28	325.95	5.58	-27.70
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018431683	0	36	0.0	-39.18	335.63	9.06	-30.12
CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1CCCO1	REAL300018431684	0	37	0.0	-34.73	306.03	6.14	-28.59
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018431685	0	40	0.0	-38.71	365.72	9.01	-29.70
COCC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431686	0	40	0.0	-35.44	356.40	8.19	-27.25
CN(C)CC1=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CS1	REAL300018431687	0	40	0.0	-36.01	361.73	5.07	-30.94
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431688	0	50	0.0	-42.38	403.58	9.20	-33.18
CC1=CC=C(CC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431689	0	39	0.0	-38.33	344.25	9.92	-28.41
COC1=CC(C)=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018431690	0	44	0.0	-36.70	374.87	8.27	-28.43
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018431691	0	40	0.0	-30.19	342.21	10.39	-19.80
CC1=C(Br)C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431692	0	33	0.0	-33.45	332.89	8.93	-24.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CCC1=CC=C(F)C=C1F	REAL300018431693	0	36	0.0	-43.04	332.56	9.27	-33.77
CC1=CC(CC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300018431694	0	42	0.0	-37.30	363.52	10.49	-26.81
COC1=CC=C(CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1OC	REAL300018431695	0	50	0.0	-41.37	409.09	9.46	-31.91
COC1=CC=C(N2C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N2)C=C1	REAL300018431696	0	44	0.0	-37.84	389.66	8.98	-28.86
CC(CCC1=CSC=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431697	0	39	0.0	-34.82	348.16	9.52	-25.30
COCCC1=CC=C(OCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431698	0	50	0.0	-31.82	422.94	9.21	-22.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018431699	0	46	0.0	-36.40	391.94	11.75	-24.65
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018431700	0	39	0.0	-36.29	355.37	6.63	-29.66
CC(CC1=CN(C)N=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431701	0	39	0.0	-43.42	339.28	7.53	-35.89
CN1N=CC2=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CN=C21	REAL300018431702	0	38	0.0	-40.41	345.64	7.60	-32.81
CC(CCC1=CC=C(F)C=C1F)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431703	0	42	0.0	-36.79	364.91	10.59	-26.20
COCC(CC1CCOCC1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431704	0	47	0.0	-28.34	374.19	6.64	-21.70
CN1C=C(CCC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431705	0	39	0.0	-38.87	345.84	7.77	-31.10
CN1CCN(C2=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N2)CC1	REAL300018431706	0	48	0.0	-38.89	404.70	6.75	-32.14
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018431707	0	44	0.0	-37.90	385.04	11.78	-26.12
CC1CCC2=C(C1)SC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N2	REAL300018431708	0	42	0.0	-29.74	370.65	8.82	-20.92
CCC1=CN=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])S1	REAL300018431709	0	35	0.0	-30.14	329.52	7.18	-22.96
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(F)N=C1	REAL300018431710	0	32	0.0	-38.23	302.60	6.63	-31.60
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2COCCC2C1	REAL300018431711	0	44	0.0	-31.80	345.68	7.98	-23.82
CC1(C)CC2(CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2)CO1	REAL300018431712	0	44	0.0	-38.77	365.66	8.03	-30.74
CC1CC2(CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2)CO1	REAL300018431713	0	41	0.0	-36.43	331.06	6.72	-29.71
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018431714	0	41	0.0	-35.90	344.60	8.68	-27.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018431715	0	40	0.0	-38.15	343.07	9.59	-28.56
CN1C=NC2=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C21	REAL300018431716	0	39	0.0	-36.28	339.74	9.70	-26.58
COC1=CC=C(C)C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431717	0	40	0.0	-34.20	343.46	8.29	-25.91
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NOC(C2CCC2)=C1	REAL300018431718	0	39	0.0	-38.22	346.48	8.72	-29.50
CC1(C2=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NO2)CC1	REAL300018431719	0	39	0.0	-37.00	346.75	8.54	-28.46
CCC1=CC=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431720	0	39	0.0	-31.27	334.83	9.75	-21.52
CC1=CC(F)=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431721	0	36	0.0	-33.29	327.83	9.16	-24.13
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1C	REAL300018431722	0	42	0.0	-31.23	348.73	10.11	-21.12
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C2CCCCCN12	REAL300018431723	0	43	0.0	-32.94	357.35	8.88	-24.06
COC1=CC=C2SC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC2=C1	REAL300018431724	0	40	0.0	-36.14	366.11	9.21	-26.93
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018431725	0	39	0.0	-42.44	356.30	9.62	-32.82
CCN1CCC2=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C21	REAL300018431726	0	45	0.0	-34.01	372.46	8.56	-25.45
CC1(C)CC2(CO1)CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC2	REAL300018431727	0	50	0.0	-37.64	384.63	8.71	-28.93
CSC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018431728	0	37	0.0	-34.25	354.41	9.86	-24.39
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1C1CC1	REAL300018431729	0	43	0.0	-32.82	366.21	11.01	-21.81
COC1=CC=CC2=C1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2	REAL300018431730	0	47	0.0	-39.75	380.53	9.87	-29.88
CCOC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=N1	REAL300018431731	0	39	0.0	-34.41	348.12	6.03	-28.38
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1C1CC1	REAL300018431732	0	43	0.0	-33.82	367.77	11.10	-22.72
CC1=NN(C2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C2)C=C1	REAL300018431733	0	46	0.0	-36.22	395.11	10.82	-25.40
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2CCC2)C1	REAL300018431734	0	40	0.0	-34.93	323.39	8.79	-26.14
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018431735	0	43	0.0	-38.66	373.61	4.92	-33.74
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NOC(C2CC2)=C1	REAL300018431736	0	36	0.0	-38.28	329.91	8.20	-30.08
CC1OC2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C2C1C	REAL300018431737	0	44	0.0	-35.61	373.40	9.53	-26.08
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OC(F)F	REAL300018431738	0	40	0.0	-32.75	360.67	8.80	-23.95
CC(C)C1=CC=C(O)C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431739	0	43	0.0	-35.67	369.23	7.78	-27.89
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300018431740	0	36	0.0	-37.46	337.72	6.38	-31.08
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(CCC2)CC1	REAL300018431741	0	43	0.0	-34.51	343.94	9.50	-25.01
CC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1O	REAL300018431742	0	37	0.0	-34.11	332.43	6.37	-27.74
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018431743	0	36	0.0	-30.10	337.17	7.70	-22.40
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018431744	0	39	0.0	-44.32	348.73	7.28	-37.04
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018431745	0	38	0.0	-32.98	335.03	8.23	-24.75
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018431746	0	40	0.0	-38.80	342.13	7.46	-31.34
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018431747	0	41	0.0	-35.43	353.73	8.51	-26.92
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018431748	0	41	0.0	-38.55	363.46	8.24	-30.31
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018431749	0	47	0.0	-34.48	403.86	10.46	-24.02
CSC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431750	0	37	0.0	-32.02	339.40	9.41	-22.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018431751	0	40	0.0	-38.50	355.22	10.51	-27.99
CC1(C)C2CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC21	REAL300018431752	0	40	0.0	-31.02	326.52	8.97	-22.05
CCN1C=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431753	0	36	0.0	-37.80	325.74	7.04	-30.76
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018431754	0	40	0.0	-33.44	364.38	10.64	-22.80
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018431755	0	41	0.0	-36.59	361.87	9.44	-27.15
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018431756	0	37	0.0	-30.89	352.88	8.27	-22.62
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018431757	0	46	0.0	-38.54	394.38	11.40	-27.14
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C2)C=N1	REAL300018431758	0	46	0.0	-41.16	399.07	12.08	-29.08
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018431759	0	47	0.0	-33.86	396.29	12.50	-21.36
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300018431761	0	39	0.0	-37.27	353.01	9.59	-27.68
CC(CC1=CC=C(Cl)C=C1F)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431762	0	39	0.0	-42.76	359.32	10.33	-32.43
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431763	0	43	0.0	-36.23	380.09	9.55	-26.68
CCCN1C=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431764	0	39	0.0	-37.59	347.24	7.80	-29.79
CC(C)N1C=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431765	0	39	0.0	-37.10	344.41	7.55	-29.55
CC(C)(C)C1=CN=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431766	0	44	0.0	-33.50	370.58	8.89	-24.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018431767	0	36	0.0	-42.92	343.61	7.53	-35.39
CN1C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NC2=C1CCCC2	REAL300018431768	0	43	0.0	-40.42	363.59	9.12	-31.30
CC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431769	0	35	0.0	-37.89	317.90	7.26	-30.63
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018431770	0	38	0.0	-37.68	342.49	8.90	-28.78
COC1=NC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1C	REAL300018431771	0	39	0.0	-38.94	348.63	5.85	-33.09
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018431772	0	36	0.0	-31.97	339.92	9.40	-22.57
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018431773	0	41	0.0	-32.54	345.96	8.39	-24.15
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431774	0	40	0.0	-30.67	368.05	9.26	-21.41
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018431775	0	40	0.0	-35.68	345.62	9.29	-26.39
CCC(C)N1N=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431776	0	42	0.0	-32.63	358.49	8.11	-24.52
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018431777	0	46	0.0	-36.63	383.83	9.44	-27.19
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2CCCCC2C1	REAL300018431778	0	43	0.0	-33.41	344.29	9.65	-23.76
COC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300018431779	0	49	0.0	-27.82	392.85	10.13	-17.69
CN1C=C(Br)N=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431780	0	33	0.0	-30.70	322.69	7.33	-23.37
COC1=CC(C)=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431781	0	39	0.0	-36.36	343.61	5.79	-30.57
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018431782	0	35	0.0	-31.14	331.68	7.88	-23.26
COC1=CC=CC(C2CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2)=C1	REAL300018431783	0	44	0.0	-38.05	361.21	8.93	-29.12
CC1=NOC(C2CC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C2)=N1	REAL300018431784	0	38	0.0	-37.96	338.64	5.88	-32.08
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC(C2CCOCC2)C1	REAL300018431785	0	44	0.0	-34.82	359.89	8.13	-26.69
CCCN1C=NC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431786	0	39	0.0	-31.99	339.61	9.37	-22.62
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018431787	0	40	0.0	-39.98	358.44	8.41	-31.57
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018431788	0	46	0.0	-32.52	390.25	11.91	-20.61
COC1=CC=C(CC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018431789	0	46	0.0	-39.06	379.50	9.44	-29.62
CCC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=NN1CC	REAL300018431790	0	42	0.0	-34.88	354.63	8.19	-26.69
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300018431791	0	36	0.0	-26.68	337.57	8.16	-18.52
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431792	0	39	0.0	-33.82	354.54	9.99	-23.83
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018431793	0	39	0.0	-36.39	364.27	9.25	-27.14
COC1=CC=C(CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018431794	0	49	0.0	-37.95	397.83	10.24	-27.71
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2CCCCCC2C1	REAL300018431795	0	46	0.0	-33.10	351.85	9.96	-23.14
CC1CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC2=CC=CC=C21	REAL300018431796	0	46	0.0	-38.00	367.79	10.88	-27.12
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018431797	0	40	0.0	-35.45	366.92	10.89	-24.56
CCOC1=CC(CCC(C)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CC=C1O	REAL300018431798	0	50	0.0	-40.98	415.16	8.52	-32.46
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018431799	0	39	0.0	-32.42	356.86	11.03	-21.39
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300018431800	0	37	0.0	-35.08	357.73	9.92	-25.16
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018431801	0	41	0.0	-35.05	353.72	8.51	-26.54
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300018431802	0	39	0.0	-36.70	359.88	10.48	-26.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018431803	0	39	0.0	-39.78	355.95	6.63	-33.15
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC=CC1=CC=NC=C1	REAL300018431804	0	36	0.0	-38.83	327.40	7.99	-30.84
CCC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])N=C1	REAL300018431805	0	38	0.0	-36.51	337.08	7.97	-28.54
COC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1OCCO	REAL300018431806	0	45	0.0	-41.49	393.31	5.51	-35.98
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018431807	0	38	0.0	-38.68	342.33	8.94	-29.74
CC1=CC2=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C2O1	REAL300018431808	0	39	0.0	-29.01	348.41	9.54	-19.47
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018431809	0	36	0.0	-39.75	344.59	9.53	-30.22
CC(C)OC1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1F	REAL300018431810	0	43	0.0	-36.33	376.84	9.40	-26.93
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1	REAL300018431811	0	46	0.0	-33.50	388.94	9.54	-23.96
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=NN1CC(F)F	REAL300018431812	0	36	0.0	-38.27	336.91	7.23	-31.04
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018431814	0	40	0.0	-38.56	366.57	9.75	-28.81
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018431815	0	40	0.0	-37.18	349.56	8.14	-29.04
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018431816	0	36	0.0	-41.10	335.42	7.28	-33.82
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018431817	0	37	0.0	-41.85	347.25	7.90	-33.95
CC1=CN(C)C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=N1	REAL300018431818	0	36	0.0	-28.95	320.53	7.34	-21.61
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2CCCC(C2)C1	REAL300018431819	0	43	0.0	-34.70	330.30	9.11	-25.59
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018431820	0	43	0.0	-36.67	367.12	8.82	-27.85
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018431821	0	36	0.0	-31.96	332.95	8.79	-23.17
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018431822	0	36	0.0	-32.06	345.41	9.30	-22.76
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC=CC1=CC=CC=C1	REAL300018431823	0	37	0.0	-34.80	331.06	9.73	-25.07
COC1=CC=C2SC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=NC2=C1	REAL300018431824	0	39	0.0	-31.73	360.37	7.11	-24.62
CN1N=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1C1=CC=CO1	REAL300018431825	0	40	0.0	-38.20	360.81	7.71	-30.49
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018431826	0	49	0.0	-33.41	403.19	12.28	-21.13
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431827	0	43	0.0	-34.08	369.16	8.84	-25.24
COC1=CC=CC=C1C=CC[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431828	0	41	0.0	-34.46	358.59	9.04	-25.42
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018431829	0	41	0.0	-38.52	368.37	8.73	-29.79
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431830	0	40	0.0	-35.81	363.32	7.68	-28.13
CC(C)(C)N1CCCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C1	REAL300018431831	0	47	0.0	-32.40	359.52	6.83	-25.57
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018431832	0	46	0.0	-35.36	404.13	12.93	-22.43
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018431833	0	42	0.0	-36.97	368.77	9.99	-26.98
CC1=CC=C(C2CCC([NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])CC2)C=C1	REAL300018431834	0	49	0.0	-37.19	398.75	11.97	-25.22
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(CF)C=C1	REAL300018431835	0	36	0.0	-36.02	329.31	9.29	-26.73
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018431836	0	36	0.0	-35.10	336.11	9.77	-25.33
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018431837	0	42	0.0	-37.37	368.59	10.06	-27.31
CC(CC1=CN(C)N=C1)[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431838	0	39	0.0	-43.42	339.28	7.53	-35.89
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CC2CC=CCC2C1	REAL300018431839	0	41	0.0	-34.00	336.14	9.54	-24.46
CC1=CC=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1C(F)(F)F	REAL300018431840	0	39	0.0	-36.03	344.21	9.98	-26.05
C=CCN1C=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=N1	REAL300018431841	0	37	0.0	-34.18	336.32	7.62	-26.56
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018431842	0	36	0.0	-36.12	325.43	7.10	-29.02
CCC(C)C1=CC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=C1	REAL300018431843	0	45	0.0	-32.45	377.85	10.98	-21.47
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC2(C1)CCOCC2	REAL300018431844	0	44	0.0	-35.81	349.42	7.63	-28.18
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431845	0	46	0.0	-40.93	400.80	10.98	-29.95
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018431846	0	43	0.0	-32.17	356.70	10.83	-21.34
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431847	0	40	0.0	-38.26	361.83	10.37	-27.89
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018431848	0	39	0.0	-42.20	353.70	8.38	-33.82
CC1=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])C=CC2=CC=CC=C21	REAL300018431849	0	42	0.0	-33.43	356.98	11.17	-22.26
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431850	0	51	0.0	-32.87	426.52	10.11	-22.76
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431851	0	41	0.0	-29.33	360.93	7.91	-21.42
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018431852	0	46	0.0	-35.73	390.37	5.59	-30.14
CCCN1N=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=C1C	REAL300018431853	0	42	0.0	-37.78	364.22	8.36	-29.42
CC1=CC(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300018431854	0	42	0.0	-40.60	373.46	9.81	-30.79
O=C([O-])[C@H](CCSC(F)(F)F)[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018431855	0	43	0.0	-34.92	370.57	11.10	-23.82
CCCN1N=C(C)C=C1C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-]	REAL300018431856	0	42	0.0	-32.88	362.48	8.34	-24.54
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CCSC(F)(F)F)C(=O)[O-])O1	REAL300018431857	0	41	0.0	-36.43	358.38	5.88	-30.55
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431858	0	44	0.0	-63.89	362.50	12.30	-51.59
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431859	0	51	0.0	-88.56	416.18	13.13	-75.43
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431860	0	44	0.0	-83.40	366.23	11.63	-71.77
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431861	0	44	0.0	-83.40	366.23	11.63	-71.77
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@@H]1CCC2=CC(F)=CC=C21	REAL300018431862	0	44	0.0	-57.51	363.06	11.14	-46.37
CC1=CC(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)=CC(C)=C1OCC(=O)[O-]	REAL300018431863	0	47	0.0	-87.30	381.22	11.64	-75.66
O=C([O-])CCC[NH+]1CCC(N[C@@H]2CCC3=CC(F)=CC=C32)CC1	REAL300018431864	1	48	0.0	-57.32	363.71	9.51	-47.81
O=C([O-])CCCN1CCC([NH2+][C@@H]2CCC3=CC(F)=CC=C32)CC1	REAL300018431864	1	48	0.0	-73.17	363.24	8.50	-64.67
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+][C@@H]1CCC2=CC(F)=CC=C21	REAL300018431865	0	46	0.0	-76.48	371.71	9.62	-66.86
O=C([O-])COC1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431866	0	41	0.0	-83.20	339.21	10.22	-72.98
O=C([O-])COC1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431867	0	41	0.0	-83.20	339.21	10.22	-72.98
CC(OC1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1)C(=O)[O-]	REAL300018431868	0	44	0.0	-82.36	355.18	10.65	-71.71
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431869	0	44	0.0	-86.81	364.89	9.78	-77.03
O=C([O-])C=CC1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431870	0	38	0.0	-80.47	323.58	7.88	-72.59
O=C([O-])C(F)(F)C1CCCC([NH2+][C@@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431871	0	43	0.0	-67.83	336.70	10.00	-57.83
O=C([O-])C(F)(F)C1CCC([NH2+][C@@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431872	0	40	0.0	-65.42	316.70	9.38	-56.04
O=C([O-])C1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1Cl	REAL300018431873	0	37	0.0	-84.22	320.87	10.30	-73.92
O=C([O-])C1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C(C(F)(F)F)=C1	REAL300018431874	0	40	0.0	-72.73	336.07	10.84	-61.89
O=C([O-])C1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C=C1Br	REAL300018431875	0	37	0.0	-82.81	324.61	10.39	-72.42
CCC1=C(C(=O)[O-])C=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431876	0	40	0.0	-73.42	328.83	9.54	-63.88
O=C([O-])CCCC1CCCC([NH2+][C@@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431877	0	49	0.0	-71.66	361.23	11.58	-60.08
CC(CCCC(C)(C)C(=O)[O-])[NH2+][C@@H]1CCC2=CC(F)=CC=C21	REAL300018431878	0	48	0.0	-73.40	357.81	10.68	-62.72
O=C([O-])CN1C=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C(C2=CC=CC=C2)=N1	REAL300018431879	0	47	0.0	-69.99	385.97	11.37	-58.62
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+][C@@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431880	0	44	0.0	-60.23	347.48	11.36	-48.87
O=C([O-])CCC1=CC=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431881	0	40	0.0	-71.02	331.07	9.66	-61.36
O=C([O-])C1=CC(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)=CC=C1F	REAL300018431882	0	37	0.0	-81.44	312.93	9.94	-71.50
O=C([O-])C1=CC2=C(SC(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)=C2)S1	REAL300018431883	0	37	0.0	-84.15	334.54	10.46	-73.69
O=C([O-])C1=C2N=CC(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)=CN2N=C1	REAL300018431884	0	39	0.0	-100.45	329.09	8.72	-91.73
CC(OC1=CC=C(Cl)C=C1C[NH2+][C@@H]1CCC2=CC(F)=CC=C21)C(=O)[O-]	REAL300018431885	0	44	0.0	-64.32	370.51	11.19	-53.13
O=C([O-])C1=CC(F)=C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C(F)=C1	REAL300018431886	1	37	0.0	-67.64	318.73	9.98	-57.66
O=C([O-])C1=CN2C(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)=CN=C2C=C1	REAL300018431887	0	40	0.0	-61.62	333.17	10.19	-51.43
CC1=CC(C(=O)[O-])=NC=C1C[NH2+][C@@H]1CCC2=CC(F)=CC=C21	REAL300018431888	0	39	0.0	-87.66	319.38	8.74	-78.92
O=C([O-])C1=CN=C2C(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)=CC=CN12	REAL300018431889	0	40	0.0	-76.79	331.95	9.48	-67.31
O=C([O-])C1=CC=CC(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)=C1Br	REAL300018431890	0	37	0.0	-68.39	319.57	10.33	-58.06
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+][C@@H]3CCC4=CC(F)=CC=C43)=N2)C1	REAL300018431891	1	44	0.0	-69.67	352.84	9.36	-60.31
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431892	0	44	0.0	-85.97	355.99	9.83	-76.14
O=C([O-])C1=CC(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)=CC(C(F)(F)F)=C1	REAL300018431893	0	40	0.0	-77.27	345.34	10.77	-66.50
O=C([O-])C1=CC=C(O)C(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)=C1	REAL300018431894	0	38	0.0	-71.80	316.12	7.30	-64.50
O=C([O-])C1=CC(Br)=CC(C[NH2+][C@@H]2CCC3=CC(F)=CC=C32)=C1	REAL300018431895	0	37	0.0	-73.18	329.65	10.51	-62.67
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431896	0	44	0.0	-72.22	362.49	12.29	-59.93
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431897	0	51	0.0	-78.00	418.38	13.26	-64.74
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431898	0	44	0.0	-88.00	366.21	11.62	-76.38
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)O2)C=C1	REAL300018431899	0	44	0.0	-88.00	366.21	11.62	-76.38
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1CCC2=CC(F)=CC=C21	REAL300018431900	0	44	0.0	-55.62	363.12	11.16	-44.46
CC1=CC(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)=CC(C)=C1OCC(=O)[O-]	REAL300018431901	0	47	0.0	-87.56	381.04	11.66	-75.90
O=C([O-])CCC[NH+]1CCC(N[C@H]2CCC3=CC(F)=CC=C32)CC1	REAL300018431902	1	48	0.0	-57.05	363.62	9.52	-47.53
O=C([O-])CCCN1CCC([NH2+][C@H]2CCC3=CC(F)=CC=C32)CC1	REAL300018431902	1	48	0.0	-71.52	360.03	8.15	-63.37
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+][C@H]1CCC2=CC(F)=CC=C21	REAL300018431903	0	46	0.0	-73.85	369.57	9.48	-64.37
O=C([O-])COC1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431904	0	41	0.0	-81.23	337.36	10.05	-71.18
O=C([O-])COC1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431905	0	41	0.0	-81.23	337.36	10.05	-71.18
CC(OC1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1)C(=O)[O-]	REAL300018431906	0	44	0.0	-84.18	357.37	10.79	-73.39
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1	REAL300018431907	0	44	0.0	-83.35	366.96	9.91	-73.44
O=C([O-])C=CC1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431908	0	38	0.0	-87.83	323.57	7.86	-79.97
O=C([O-])C(F)(F)C1CCCC([NH2+][C@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431909	0	43	0.0	-69.05	333.13	9.91	-59.14
O=C([O-])C(F)(F)C1CCC([NH2+][C@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431910	0	40	0.0	-66.60	317.39	9.44	-57.16
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1Cl	REAL300018431911	0	37	0.0	-84.19	320.69	10.32	-73.87
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C(C(F)(F)F)=C1	REAL300018431912	0	40	0.0	-78.59	334.97	10.82	-67.77
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C=C1Br	REAL300018431913	0	37	0.0	-82.82	324.42	10.42	-72.40
CCC1=C(C(=O)[O-])C=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431914	0	40	0.0	-70.66	328.81	9.52	-61.14
O=C([O-])CCCC1CCCC([NH2+][C@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431915	0	49	0.0	-69.18	357.66	11.47	-57.71
CC(CCCC(C)(C)C(=O)[O-])[NH2+][C@H]1CCC2=CC(F)=CC=C21	REAL300018431916	0	48	0.0	-73.34	358.36	10.69	-62.65
O=C([O-])CN1C=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C(C2=CC=CC=C2)=N1	REAL300018431917	0	47	0.0	-71.89	379.59	11.47	-60.42
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+][C@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431918	0	44	0.0	-55.20	342.35	11.17	-44.03
O=C([O-])CCC1=CC=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)O1	REAL300018431919	0	40	0.0	-75.98	331.10	9.65	-66.33
O=C([O-])C1=CC(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)=CC=C1F	REAL300018431920	0	37	0.0	-85.47	310.82	9.79	-75.68
O=C([O-])C1=CC2=C(SC(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)=C2)S1	REAL300018431921	0	37	0.0	-84.06	334.51	10.46	-73.60
O=C([O-])C1=C2N=CC(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)=CN2N=C1	REAL300018431922	0	39	0.0	-103.88	331.20	8.87	-95.01
CC(OC1=CC=C(Cl)C=C1C[NH2+][C@H]1CCC2=CC(F)=CC=C21)C(=O)[O-]	REAL300018431923	0	44	0.0	-49.03	370.66	11.19	-37.84
O=C([O-])C1=CC(F)=C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C(F)=C1	REAL300018431924	1	37	0.0	-67.64	318.74	9.98	-57.66
O=C([O-])C1=CN2C(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)=CN=C2C=C1	REAL300018431925	0	40	0.0	-66.13	335.25	10.33	-55.80
CC1=CC(C(=O)[O-])=NC=C1C[NH2+][C@H]1CCC2=CC(F)=CC=C21	REAL300018431926	0	39	0.0	-87.16	319.25	8.75	-78.41
O=C([O-])C1=CN=C2C(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)=CC=CN12	REAL300018431927	0	40	0.0	-83.07	334.06	9.63	-73.44
O=C([O-])C1=CC=CC(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)=C1Br	REAL300018431928	0	37	0.0	-70.38	319.38	10.34	-60.04
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+][C@H]3CCC4=CC(F)=CC=C43)=N2)C1	REAL300018431929	1	44	0.0	-72.64	354.75	9.53	-63.11
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+][C@H]2CCC3=CC(F)=CC=C32)C1	REAL300018431930	0	44	0.0	-85.21	353.44	9.67	-75.54
O=C([O-])C1=CC(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)=CC(C(F)(F)F)=C1	REAL300018431931	0	40	0.0	-74.62	347.23	10.94	-63.68
O=C([O-])C1=CC=C(O)C(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)=C1	REAL300018431932	0	38	0.0	-69.91	313.92	7.17	-62.74
O=C([O-])C1=CC(Br)=CC(C[NH2+][C@H]2CCC3=CC(F)=CC=C32)=C1	REAL300018431933	0	37	0.0	-73.17	329.70	10.51	-62.66
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C1	REAL300018431934	0	43	0.0	-93.49	356.49	4.63	-88.86
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431935	0	50	0.0	-79.80	412.60	7.14	-72.66
CC1=C(C(=O)[O-])C=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431936	0	43	0.0	-81.83	357.49	3.60	-78.23
O=C([O-])C1=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=CO1	REAL300018431937	0	40	0.0	-54.22	334.22	2.89	-51.33
O=C([O-])CN1CCC([NH2+]CCOC2CCS(=O)(=O)CC2)CC1	REAL300018431938	0	48	0.0	-77.60	368.47	1.81	-75.79
O=C([O-])C1=COC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431939	0	40	0.0	-82.32	339.56	2.87	-79.45
O=C([O-])C1CCC([NH2+]CCOC2CCS(=O)(=O)CC2)CC1	REAL300018431940	0	46	0.0	-82.72	355.68	3.99	-78.73
O=C([O-])CN1C=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)N=N1	REAL300018431941	1	42	0.0	-83.21	353.22	1.47	-81.74
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431942	0	40	0.0	-85.24	339.30	3.12	-82.12
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431943	0	40	0.0	-85.24	339.30	3.12	-82.12
CC(C)(CC[NH2+]CCOC1CCS(=O)(=O)CC1)C(=O)[O-]	REAL300018431944	0	45	0.0	-76.18	351.40	3.39	-72.79
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCOC3CCS(=O)(=O)CC3)O2)C=C1	REAL300018431945	0	50	0.0	-96.94	416.43	6.47	-90.47
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCOC3CCS(=O)(=O)CC3)O2)C=C1	REAL300018431946	0	50	0.0	-96.94	416.43	6.47	-90.47
O=C([O-])C1CCC([NH2+]CCOC2CCS(=O)(=O)CC2)CC1	REAL300018431947	0	46	0.0	-82.72	355.68	3.99	-78.73
O=C([O-])C1=CC=CC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431948	0	43	0.0	-83.13	356.50	4.62	-78.51
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431949	0	50	0.0	-71.62	411.27	5.86	-65.76
O=C([O-])C1=NNC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431950	0	40	0.0	-90.89	337.90	1.06	-89.83
CC1=CC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018431951	0	53	0.0	-95.20	431.65	6.45	-88.75
O=C([O-])CCCN1CCC([NH2+]CCOC2CCS(=O)(=O)CC2)CC1	REAL300018431952	1	54	0.0	-81.65	410.59	3.02	-78.63
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431953	0	52	0.0	-85.94	420.85	4.36	-81.58
O=C([O-])COC1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C1	REAL300018431954	0	47	0.0	-91.27	387.50	4.90	-86.37
O=C([O-])COC1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C1	REAL300018431955	0	47	0.0	-91.27	387.50	4.90	-86.37
O=C([O-])C1=CC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=CS1	REAL300018431956	0	40	0.0	-85.37	346.98	3.68	-81.69
O=C([O-])CC1CCC([NH2+]CCOC2CCS(=O)(=O)CC2)CC1	REAL300018431957	0	49	0.0	-75.00	366.29	4.84	-70.16
O=C([O-])C1=NOC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431958	0	39	0.0	-89.02	333.71	2.17	-86.85
O=C([O-])C1=CC=CC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=N1	REAL300018431959	0	42	0.0	-86.14	352.33	2.80	-83.34
O=C([O-])C1=NOC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431960	0	39	0.0	-89.02	333.71	2.17	-86.85
CC([NH2+]CCOC1CCS(=O)(=O)CC1)C1CC1C(=O)[O-]	REAL300018431961	0	43	0.0	-63.48	341.92	3.60	-59.88
O=C([O-])CC1CC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431962	0	43	0.0	-75.03	343.38	3.59	-71.44
CC(OC1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C1)C(=O)[O-]	REAL300018431963	0	50	0.0	-92.41	405.38	5.50	-86.91
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C1	REAL300018431964	0	50	0.0	-87.23	415.07	4.62	-82.61
CC1CC([NH2+]CCOC2CCS(=O)(=O)CC2)CCC1C(=O)[O-]	REAL300018431965	0	49	0.0	-84.66	374.20	4.52	-80.14
O=C([O-])C=CC1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431966	0	44	0.0	-96.76	373.74	2.72	-94.04
O=C([O-])C(F)(F)C1CCCC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431967	0	49	0.0	-78.21	382.44	4.71	-73.50
O=C([O-])C(F)(F)C1CCC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431968	0	46	0.0	-79.37	367.30	4.29	-75.08
CC1=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C(C(=O)[O-])O1	REAL300018431969	0	43	0.0	-88.58	358.32	3.78	-84.80
CC1=C(C(=O)[O-])OC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431970	0	43	0.0	-85.72	357.27	3.71	-82.01
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=C1Cl	REAL300018431971	0	43	0.0	-92.51	369.01	5.01	-87.50
CC(CC(C)(C)CC(=O)[O-])[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431972	0	51	0.0	-74.15	375.11	4.80	-69.35
CC1C(CC(=O)[O-])CCC1[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431973	0	49	0.0	-82.85	368.05	4.88	-77.97
CC1(C(=O)[O-])CC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431974	0	43	0.0	-70.79	343.30	3.37	-67.42
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C(C(F)(F)F)=C1	REAL300018431975	0	46	0.0	-89.86	384.91	5.67	-84.19
CN1C=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C(C(=O)[O-])=N1	REAL300018431976	0	43	0.0	-62.12	356.43	2.46	-59.66
CCC1=C(C(=O)[O-])C=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431977	0	46	0.0	-82.34	379.04	4.37	-77.97
O=C([O-])CCCC1CCCC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431978	0	55	0.0	-79.81	410.15	6.37	-73.44
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431979	0	54	0.0	-84.19	408.93	5.56	-78.63
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)N=C1	REAL300018431980	0	42	0.0	-85.50	351.63	2.79	-82.71
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431981	0	50	0.0	-65.26	398.11	6.14	-59.12
CN1N=C(C(=O)[O-])C=C1C[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431982	0	43	0.0	-94.39	358.21	2.32	-92.07
O=C([O-])CCC1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)O1	REAL300018431983	0	46	0.0	-84.94	381.29	4.51	-80.43
O=C([O-])C1=CC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=CC=C1F	REAL300018431984	0	43	0.0	-89.52	360.98	4.65	-84.87
O=C([O-])CCC1CC([NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431985	0	46	0.0	-78.27	366.31	4.44	-73.83
O=C([O-])C1=CC2=C(SC(C[NH2+]CCOC3CCS(=O)(=O)CC3)=C2)S1	REAL300018431986	0	43	0.0	-94.36	384.73	5.31	-89.05
O=C([O-])C1=C2N=CC(C[NH2+]CCOC3CCS(=O)(=O)CC3)=CN2N=C1	REAL300018431987	0	45	0.0	-111.82	379.29	3.57	-108.25
O=C([O-])C1=CC=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C=N1	REAL300018431988	0	42	0.0	-97.39	352.14	2.83	-94.56
O=C([O-])C1=CC(F)=C(C[NH2+]CCOC2CCS(=O)(=O)CC2)C(F)=C1	REAL300018431989	0	43	0.0	-77.81	367.06	4.67	-73.14
O=C([O-])C1=CN2C(C[NH2+]CCOC3CCS(=O)(=O)CC3)=CN=C2C=C1	REAL300018431990	0	46	0.0	-79.67	383.34	5.04	-74.63
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CCOC1CCS(=O)(=O)CC1	REAL300018431991	0	45	0.0	-98.07	368.17	3.39	-94.68
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431992	0	46	0.0	-84.23	360.96	4.26	-79.97
O=C([O-])C1=CN=C2C(C[NH2+]CCOC3CCS(=O)(=O)CC3)=CC=CN12	REAL300018431993	0	46	0.0	-96.00	382.17	4.33	-91.67
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CCOC3CCS(=O)(=O)CC3)=N2)C1	REAL300018431994	0	50	0.0	-83.58	403.43	4.22	-79.36
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CCOC2CCS(=O)(=O)CC2)C1	REAL300018431995	0	50	0.0	-95.31	403.53	4.51	-90.80
O=C([O-])C1=CC(C[NH2+]CCOC2CCS(=O)(=O)CC2)=CC(C(F)(F)F)=C1	REAL300018431996	0	46	0.0	-86.10	395.19	5.60	-80.50
O=C([O-])C1=CC=C(O)C(C[NH2+]CCOC2CCS(=O)(=O)CC2)=C1	REAL300018431997	0	44	0.0	-81.43	364.07	2.02	-79.41
O=C([O-])C1=CN(C2CCC[N@H+](CC3=CC(Cl)=CC4=C3OCC4)CC2)N=N1	REAL300018431998	0	47	0.0	-76.51	378.85	9.17	-67.34
O=C([O-])C1=CN(C2CCC[N@@H+](CC3=CC(Cl)=CC4=C3OCC4)CC2)N=N1	REAL300018431998	1	47	0.0	-77.15	373.99	9.31	-67.84
CC(CC1=CC=CC=C1)C[N@@H+]1CCCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300018431999	0	51	0.0	-80.09	380.57	10.80	-69.29
CC(CC1=CC=CC=C1)C[N@H+]1CCCC(N2C=C(C(=O)[O-])N=N2)CC1	REAL300018431999	1	51	0.0	-79.65	383.50	10.93	-68.72
CN1C=C(C[N@@H+]2CCCC(N3C=C(C(=O)[O-])N=N3)CC2)C(C2CCCCC2)=N1	REAL300018432000	0	58	0.0	-82.71	430.48	10.23	-72.48
CN1C=C(C[N@H+]2CCCC(N3C=C(C(=O)[O-])N=N3)CC2)C(C2CCCCC2)=N1	REAL300018432000	1	58	0.0	-83.75	433.39	10.20	-73.55
O=C([O-])C1=CC2=CC(NCC3=CC=C(N4CCCC4)[NH+]=C3)=CC=C2S1	REAL300018435776	1	44	0.0	-75.29	368.05	9.20	-66.09
C[NH+]1CCN(C2=CC=C(CNC3=CC=C4SC(C(=O)[O-])=CC4=C3)C=C2)CC1	REAL300018435789	0	50	0.0	-79.57	403.75	10.25	-69.32
O=C([O-])C1=CC2=CC(NC3CC[NH+](CC4=CC=CC=N4)CC3)=CC=C2S1	REAL300018435793	0	47	0.0	-84.15	383.47	10.32	-73.83
O=C([O-])C1=CC2=CC(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)=CC=C2S1	REAL300018435799	0	52	0.0	-77.10	425.15	11.94	-65.16
C[NH+](C)CCOC1=CC=C(CNC2=CC=C3SC(C(=O)[O-])=CC3=C2)C=C1	REAL300018435807	0	48	0.0	-78.42	399.87	10.85	-67.57
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C1	REAL300018435852	0	48	0.0	-82.32	388.52	12.23	-70.09
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C3SC(C(=O)[O-])=CC3=C2)C1	REAL300018435852	1	48	0.0	-82.72	388.83	12.23	-70.49
O=C([O-])C1=CC2=CC(NC3CC[NH+](CC4CC4)CC3)=CC=C2S1	REAL300018435853	0	45	0.0	-82.44	360.51	10.78	-71.66
CC(C)C[NH+]1CCC(NC2=CC=C3SC(C(=O)[O-])=CC3=C2)CC1	REAL300018435862	0	47	0.0	-81.64	367.79	10.66	-70.98
O=C([O-])C1=CC2=CC(NC3CC[NH+](CC4=CC=NC=C4)CC3)=CC=C2S1	REAL300018435869	0	47	0.0	-91.89	382.58	10.33	-81.56
CC(C)(C)[NH+]1CCC(NC2=CC=C3SC(C(=O)[O-])=CC3=C2)CC1	REAL300018435870	0	47	0.0	-78.11	358.22	9.97	-68.14
O=C([O-])C1=CC2=CC(NC3CC[NH+](CCN4CCOCC4)CC3)=CC=C2S1	REAL300018435876	0	54	0.0	-86.87	417.32	7.68	-79.19
CC1CCCCC1[NH+]1CCC(NC2=CC=C3SC(C(=O)[O-])=CC3=C2)CC1	REAL300018435897	0	54	0.0	-80.66	397.78	12.07	-68.59
CC(C)(CNC1=CC=C2SC(C(=O)[O-])=CC2=C1)[NH+]1CCOCC1	REAL300018435937	0	45	0.0	-77.23	346.87	7.96	-69.27
O=C([O-])C1(CCCC[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])CCC1	REAL300018443958	0	44	0.0	-68.72	364.84	11.03	-57.69
CC1(C)CC([NH2+]CCCCC2(C(=O)[O-])CCC2)CC(C)(C)C1	REAL300018443959	0	57	0.0	-59.92	396.05	11.19	-48.73
O=C([O-])C1(CCCC[NH2+]C2CCC3=CC(Br)=CC=C3C2)CCC1	REAL300018443960	0	49	0.0	-69.80	386.94	12.10	-57.70
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCCCC1(C(=O)[O-])CCC1	REAL300018443961	0	55	0.0	-68.33	417.22	12.11	-56.22
COC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C(Cl)=C1OC	REAL300018443962	0	50	0.0	-65.24	400.71	9.68	-55.56
O=C([O-])C1(CCCC[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CCC1	REAL300018443963	0	49	0.0	-63.65	393.47	12.51	-51.14
O=C([O-])C1(CCCC[NH2+]CC2=CC3=CC=CC=C3S2)CCC1	REAL300018443964	0	45	0.0	-65.59	365.74	11.48	-54.11
CC(C)OC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1	REAL300018443965	0	52	0.0	-62.89	395.39	10.74	-52.15
CCCCCCCOC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1	REAL300018443966	0	64	0.0	-62.71	484.96	14.04	-48.67
CC(C[NH2+]CCCCC1(C(=O)[O-])CCC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018443967	0	63	0.0	-65.49	461.27	14.30	-51.19
O=C([O-])C1(CCCC[NH2+]CC2=C3NC=CC3=CC=C2)CCC1	REAL300018443968	0	46	0.0	-66.50	359.71	9.94	-56.56
O=C([O-])C1(CCCC[NH2+]CC2=CSC([N+](=O)[O-])=C2)CCC1	REAL300018443969	0	41	0.0	-79.73	348.40	9.74	-69.99
O=C([O-])C1(CCCC[NH2+]CC2=CC=CC=C2N2CCOCC2)CCC1	REAL300018443970	0	55	0.0	-64.42	412.92	9.51	-54.91
CC(C)CC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1	REAL300018443971	0	54	0.0	-60.26	407.26	12.58	-47.68
CC1=CC=C(C2=CC=CC(C[NH2+]CCCCC3(C(=O)[O-])CCC3)=C2)C=C1	REAL300018443972	0	55	0.0	-63.46	421.73	13.97	-49.49
COC1=CC=C(Br)C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)=C1	REAL300018443973	0	46	0.0	-60.29	373.24	9.82	-50.47
COC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1[N+](=O)[O-]	REAL300018443974	0	48	0.0	-75.61	381.64	10.63	-64.98
O=C([O-])C1(CCCC[NH2+]CC2=CC(Cl)=CC(Cl)=C2)CCC1	REAL300018443975	0	42	0.0	-69.27	361.81	10.95	-58.32
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCCCC2(C(=O)[O-])CCC2)=C1	REAL300018443976	0	55	0.0	-63.18	422.17	13.97	-49.21
O=C([O-])C1(CCCC[NH2+]CC2=CC=CC(OC(F)F)=C2)CCC1	REAL300018443977	0	46	0.0	-65.58	365.37	9.47	-56.11
O=C([O-])C1(CCCC[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)CCC1	REAL300018443978	0	52	0.0	-68.42	421.16	10.74	-57.68
CCOC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1OCC	REAL300018443979	0	56	0.0	-66.63	428.57	10.93	-55.70
O=C([O-])C1(CCCC[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)CCC1	REAL300018443980	0	45	0.0	-70.46	378.01	11.30	-59.16
O=C([O-])C1(CCCC[NH2+]CC2=CC=C(F)C=C2Br)CCC1	REAL300018443981	0	42	0.0	-62.38	348.80	10.51	-51.87
O=C([O-])C1(CCCC[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)CCC1	REAL300018443982	0	45	0.0	-74.68	367.95	9.04	-65.64
O=C([O-])C1(CCCC[NH2+]CC2=CC=NC3=CC=CC=C23)CCC1	REAL300018443983	0	47	0.0	-67.50	362.55	10.15	-57.35
O=C([O-])C1(CCCC[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)CCC1	REAL300018443984	0	46	0.0	-65.57	372.11	9.68	-55.89
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1	REAL300018443985	0	48	0.0	-72.27	386.80	7.41	-64.86
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1	REAL300018443986	0	56	0.0	-63.74	434.32	12.95	-50.79
CC(CCOCC1=CC=CC=C1)[NH2+]CCCCC1(C(=O)[O-])CCC1	REAL300018443987	0	55	0.0	-65.59	419.34	11.34	-54.25
O=C([O-])C1(CCCC[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)CCC1	REAL300018443988	0	49	0.0	-68.91	387.82	12.24	-56.67
O=C([O-])C1(CCCC[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CCC1	REAL300018443989	0	52	0.0	-64.22	417.04	13.83	-50.39
O=C([O-])C1(CCCC[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CCC1	REAL300018443990	0	52	0.0	-64.78	417.05	13.82	-50.96
O=C([O-])C1(CCCC[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)CCC1	REAL300018443991	0	52	0.0	-67.73	427.64	12.83	-54.90
COC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C2=CC=CC=C12	REAL300018443992	0	52	0.0	-68.30	397.67	11.43	-56.87
CN1C2=CC=CC=C2N=C1C[NH2+]CCCCC1(C(=O)[O-])CCC1	REAL300018443993	0	48	0.0	-72.29	374.76	10.28	-62.01
O=C([O-])C1(CCCC[NH2+]CC2=CC=C3OCCC3=C2)CCC1	REAL300018443994	0	47	0.0	-64.68	362.00	9.74	-54.94
O=C([O-])C1(CCCC[NH2+]CC2=CSC(Br)=C2)CCC1	REAL300018443995	0	39	0.0	-67.96	340.00	9.61	-58.35
COC1=CC=C(C[NH2+]CCCCC2(C(=O)[O-])CCC2)C=C1OCC1=CC=CN=C1	REAL300018443996	0	59	0.0	-70.63	461.46	11.28	-59.35
O=C([O-])C1(CCCC[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)CCC1	REAL300018443997	0	55	0.0	-62.97	430.86	11.47	-51.50
COC1=CC(C[NH2+]CCCCC2(C(=O)[O-])CCC2)=C(C2=CC=CC=C2)C=C1OC	REAL300018443998	0	60	0.0	-62.69	457.53	12.50	-50.19
O=C([O-])C1(CCCC[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)CCC1	REAL300018443999	0	55	0.0	-62.01	430.82	11.46	-50.55
O=C([O-])C1(CCCC[NH2+]CC2=CC=C(N3CCCC3)N=C2)CCC1	REAL300018444000	0	53	0.0	-68.65	402.27	9.85	-58.80
CC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1F	REAL300018446688	0	40	0.0	-83.83	327.10	8.12	-75.71
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])C2=C1	REAL300018446690	1	39	0.0	-83.20	337.00	8.51	-74.69
CC1(C)CC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CC(C)(C)C1	REAL300018446691	0	52	0.0	-74.07	369.63	8.68	-65.39
O=C([O-])C1=NN2CCCC([NH2+]C3CCC4=CC(Br)=CC=C4C3)C2=C1	REAL300018446692	0	44	0.0	-88.62	347.38	9.05	-79.57
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446693	0	50	0.0	-80.22	389.09	9.58	-70.64
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(Cl)=C1OC	REAL300018446694	1	45	0.0	-81.77	375.04	7.20	-74.57
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C4=CC=CS4)C=C3)C2=C1	REAL300018446695	0	44	0.0	-84.19	367.78	10.02	-74.17
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC=CC=C4S3)C2=C1	REAL300018446696	0	40	0.0	-82.44	337.77	8.95	-73.49
CC(C)OC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446697	0	47	0.0	-83.06	370.28	8.29	-74.77
CCCCCCCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446698	0	59	0.0	-82.90	459.27	11.55	-71.35
CC(C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12)CC1=CC=C(C(C)(C)C)C=C1	REAL300018446699	0	58	0.0	-80.31	433.58	11.79	-68.52
CC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1F	REAL300018446700	0	40	0.0	-86.10	327.13	8.11	-77.99
O=C([O-])C1=NN2CCCC([NH2+]CC3=C4NC=CC4=CC=C3)C2=C1	REAL300018446701	0	41	0.0	-83.00	331.76	7.43	-75.57
O=C([O-])C1=NN2CCCC([NH2+]CC3=CSC([N+](=O)[O-])=C3)C2=C1	REAL300018446702	1	36	0.0	-97.48	320.43	7.21	-90.27
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC=C3N3CCOCC3)C2=C1	REAL300018446703	0	50	0.0	-77.23	385.37	6.97	-70.26
CC(C)CC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446704	0	49	0.0	-79.54	381.58	10.09	-69.45
CC1=CC=C(C2=CC=CC(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)=C2)C=C1	REAL300018446705	0	50	0.0	-83.57	396.03	11.49	-72.08
COC1=CC=C(Br)C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446706	1	41	0.0	-76.27	345.37	7.29	-68.98
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1[N+](=O)[O-]	REAL300018446707	0	43	0.0	-100.04	355.91	8.14	-91.90
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(Cl)=CC(Cl)=C3)C2=C1	REAL300018446708	0	37	0.0	-86.15	333.84	8.42	-77.73
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446709	0	50	0.0	-82.19	397.90	11.53	-70.66
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(OC(F)F)=C3)C2=C1	REAL300018446710	0	41	0.0	-85.91	339.68	6.99	-78.92
CCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1OCC	REAL300018446711	0	51	0.0	-87.09	402.84	8.44	-78.65
CC(C)C1CCC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300018446712	0	49	0.0	-72.41	345.37	8.53	-63.88
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)C2=C1	REAL300018446713	0	40	0.0	-90.95	352.31	8.82	-82.13
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(F)C=C3Br)C2=C1	REAL300018446714	1	37	0.0	-81.64	322.29	8.06	-73.58
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C4OC(F)(F)OC4=C3)C2=C1	REAL300018446715	0	40	0.0	-93.76	340.02	6.51	-87.25
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(OC(F)(F)F)=C3)C2=C1	REAL300018446716	0	41	0.0	-86.25	346.42	7.20	-79.05
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446717	0	43	0.0	-94.48	361.11	4.92	-89.56
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446718	0	51	0.0	-83.31	408.63	10.46	-72.85
CC(CCOCC1=CC=CC=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446719	0	50	0.0	-77.81	391.21	8.81	-69.00
O=C([O-])C1=NN2CCCC([NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)C2=C1	REAL300018446720	0	44	0.0	-81.71	355.73	9.53	-72.18
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)C2=C1	REAL300018446721	0	47	0.0	-84.31	391.36	11.33	-72.98
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)C2=C1	REAL300018446722	0	47	0.0	-85.07	391.36	11.33	-73.74
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C2=CC=CC=C12	REAL300018446723	0	47	0.0	-85.22	369.77	8.89	-76.33
CCC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)S1	REAL300018446724	0	40	0.0	-77.85	334.02	8.08	-69.77
CN1C2=CC=CC=C2N=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446725	1	43	0.0	-88.10	347.64	7.77	-80.33
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C4OCCC4=C3)C2=C1	REAL300018446726	0	42	0.0	-84.74	336.27	7.25	-77.49
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC=C3OCC3=CC=NC=C3)C2=C1	REAL300018446727	0	50	0.0	-76.83	405.25	8.98	-67.85
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)C2=C1	REAL300018446728	0	50	0.0	-76.54	404.96	8.97	-67.57
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(N4CCCC4)N=C3)C2=C1	REAL300018446729	0	48	0.0	-84.78	374.30	7.32	-77.46
CS(=O)(=O)NC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446730	0	45	0.0	-94.34	373.80	4.14	-90.20
O=C([O-])C1=NN2CCCC([NH2+]CC3=C4C=CNC4=CC=C3)C2=C1	REAL300018446731	0	41	0.0	-79.09	331.58	7.45	-71.64
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C4C=CNC4=C3)C2=C1	REAL300018446732	0	41	0.0	-83.23	331.75	7.43	-75.80
CC(CC1=CC=CS1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446733	0	40	0.0	-72.83	325.30	7.86	-64.97
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=C3OC(F)(F)O4)C2=C1	REAL300018446734	1	40	0.0	-83.75	339.94	6.50	-77.25
CC1=CC(F)=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446735	0	40	0.0	-84.51	321.69	8.10	-76.41
CC1(C)CCC2=CC(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)=CC=C2O1	REAL300018446736	0	51	0.0	-83.46	391.04	9.22	-74.24
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446737	0	52	0.0	-80.21	374.02	9.55	-70.66
CN(C)C1=CC=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446738	0	45	0.0	-73.89	352.00	7.40	-66.49
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)C2=C1	REAL300018446739	0	46	0.0	-85.69	369.64	9.05	-76.64
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)C2=C1	REAL300018446740	0	46	0.0	-87.27	369.84	9.06	-78.21
CN1CCN(C2=CC=C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)C=C2)CC1	REAL300018446741	1	54	0.0	-81.57	409.63	6.10	-75.47
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446742	1	53	0.0	-79.73	403.27	4.91	-74.82
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)C2=C1	REAL300018446743	0	46	0.0	-88.70	381.79	5.92	-82.78
O=C([O-])C1=NN2CCCC([NH2+]C3CCN(C4=CN=CC=N4)CC3)C2=C1	REAL300018446744	0	47	0.0	-86.18	349.48	4.75	-81.43
O=C([O-])C1=NN2CCCC([NH2+]C3CCN(CC4=CC=C(Cl)C=C4)CC3)C2=C1	REAL300018446745	0	52	0.0	-86.42	397.56	7.82	-78.60
O=C([O-])C1=NN2CCCC([NH2+]C3CCN(CC4=CC=CC=N4)CC3)C2=C1	REAL300018446746	0	51	0.0	-79.59	387.62	6.13	-73.46
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)C2=C1	REAL300018446747	0	44	0.0	-89.73	365.63	8.69	-81.04
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446748	0	50	0.0	-86.89	415.11	10.07	-76.82
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)C2=C1	REAL300018446749	0	44	0.0	-89.07	375.94	9.14	-79.93
CC(C)(C)N1C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300018446750	0	46	0.0	-83.39	363.16	7.23	-76.16
CN(C1=CC=CC=C1CNC1CCCN2N=C(C(=O)[O-])C=C12)C1CC[NH+](C)CC1	REAL300018446751	1	60	0.0	-88.08	444.71	8.89	-79.19
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)C2=C1	REAL300018446752	0	44	0.0	-86.80	371.35	8.09	-78.71
O=C([O-])C1=NN2CCCC(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)C2=C1	REAL300018446753	1	56	0.0	-85.82	427.26	8.98	-76.84
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(Cl)=CC=C3OC(F)F)C2=C1	REAL300018446754	1	41	0.0	-82.90	355.04	7.56	-75.34
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C4=CC=CC(Cl)=C4)S3)C2=C1	REAL300018446755	0	44	0.0	-81.78	384.97	10.70	-71.08
O=C([O-])C1=NN2CCCC([NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)C2=C1	REAL300018446756	0	47	0.0	-88.71	379.30	6.09	-82.62
COC1=CC=CC(C2=NNC=C2C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446757	0	48	0.0	-86.95	378.91	6.52	-80.43
COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1OCC(F)(F)F	REAL300018446758	0	48	0.0	-90.97	400.56	7.99	-82.98
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C(N4CCCC4)N=C3)C2=C1	REAL300018446759	0	47	0.0	-89.48	369.44	7.30	-82.18
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)C2=C1	REAL300018446760	0	50	0.0	-86.39	406.58	8.92	-77.47
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)C2=C1	REAL300018446761	0	50	0.0	-84.72	404.45	9.00	-75.72
C[NH+](C)CCOC1=CC=C(CNC2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446762	1	52	0.0	-82.48	403.71	7.69	-74.79
CC(C)C1=NN(C)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446763	0	46	0.0	-84.66	365.61	7.05	-77.61
COCCOC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446764	0	48	0.0	-83.56	385.40	6.91	-76.65
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1Cl	REAL300018446765	0	41	0.0	-87.10	345.95	7.26	-79.84
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC(Cl)=CC(Cl)=C4OC3)C2=C1	REAL300018446766	0	43	0.0	-88.82	379.34	8.95	-79.87
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C2=C1	REAL300018446768	1	45	0.0	-86.27	364.69	7.14	-79.13
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446769	1	49	0.0	-87.20	381.77	8.99	-78.21
COC1=NC=C(Br)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446770	1	40	0.0	-80.87	347.40	4.80	-76.07
COC1=NC=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446771	1	40	0.0	-78.60	326.25	4.18	-74.42
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(Br)C=N3)C2=C1	REAL300018446772	1	36	0.0	-81.60	316.68	6.18	-75.42
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C(N4CCOCC4)S3)C2=C1	REAL300018446773	0	46	0.0	-84.50	374.05	4.73	-79.77
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=NC=CC=C34)C2=C1	REAL300018446774	0	42	0.0	-89.19	336.56	7.66	-81.53
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)C2=C1	REAL300018446775	0	44	0.0	-84.54	371.35	8.10	-76.44
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=C3OCCO4)C2=C1	REAL300018446776	1	43	0.0	-79.73	343.23	6.61	-73.12
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=C3OCCCO4)C2=C1	REAL300018446777	1	46	0.0	-83.14	361.86	7.42	-75.72
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CCCN1C2=CC=CC=C2N=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446782	1	49	0.0	-83.86	386.20	9.48	-74.38
CCCOC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446783	0	47	0.0	-81.66	373.27	8.43	-73.23
C#CCCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446784	0	46	0.0	-83.94	379.06	8.95	-74.99
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CCC1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)S1	REAL300018446789	0	39	0.0	-81.83	328.57	6.13	-75.70
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CN(C)C1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)S1	REAL300018446793	0	41	0.0	-81.21	341.72	6.41	-74.80
CC(C)OC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446794	0	47	0.0	-81.36	369.71	8.25	-73.11
CN1C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018446795	0	50	0.0	-79.77	409.06	9.45	-70.32
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CC(CCC1=CC=CC(F)=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446802	0	46	0.0	-79.99	363.62	9.59	-70.40
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446803	0	49	0.0	-80.38	395.94	10.52	-69.86
CC1=CC=C(CCC(C)[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446804	0	49	0.0	-77.63	378.56	10.20	-67.43
CC(C1=CC=CC=C1)N1CCC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300018446805	0	52	0.0	-78.18	382.70	7.42	-70.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300018446805	1	52	0.0	-77.42	395.85	9.27	-68.15
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300018446805	1	52	0.0	-79.39	394.86	9.14	-70.25
CN1C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018446806	0	49	0.0	-92.23	404.43	9.41	-82.82
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446808	0	60	0.0	-80.12	460.73	11.78	-68.34
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)C2=C1	REAL300018446811	0	44	0.0	-82.55	374.65	10.25	-72.30
O=C([O-])C1=NN2CCCC([NH2+]C3CCN(C4=CC=C(F)C=C4F)CC3)C2=C1	REAL300018446812	0	49	0.0	-88.83	373.91	7.61	-81.22
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=NC=CN=C4C=C3)C2=C1	REAL300018446813	0	41	0.0	-89.78	336.43	5.82	-83.96
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC=C3OC3CCCC3)C2=C1	REAL300018446814	0	51	0.0	-74.99	393.05	9.70	-65.29
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN4C=C(Cl)C=CC4=N3)C2=C1	REAL300018446815	1	40	0.0	-83.05	344.09	8.43	-74.62
CC(C)(C)C1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)S1	REAL300018446816	0	45	0.0	-81.24	367.22	7.20	-74.04
CC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C(C)S1	REAL300018446817	0	40	0.0	-79.20	329.56	7.93	-71.27
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)S2)C=C1	REAL300018446818	0	47	0.0	-81.06	389.67	10.86	-70.20
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC([N+](=O)[O-])=CC=C3OC(F)F)C2=C1	REAL300018446819	1	43	0.0	-91.86	366.53	7.71	-84.15
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446820	1	41	0.0	-83.02	362.76	7.86	-75.16
C#CCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446821	0	43	0.0	-85.40	357.58	8.18	-77.22
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(OC4=CC(F)=CC(F)=C4)C=C3)C2=C1	REAL300018446822	0	48	0.0	-86.98	401.65	10.40	-76.58
CCOC1=C(OC)C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1OC	REAL300018446823	0	52	0.0	-91.65	414.19	7.46	-84.19
O=C([O-])C1=NN2CCCC([NH2+]C3CCN(CC4=CC=NC=C4)CC3)C2=C1	REAL300018446824	0	51	0.0	-89.05	376.60	5.71	-83.34
COCCCOC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446825	0	51	0.0	-83.43	406.95	7.50	-75.93
COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1SC	REAL300018446826	0	45	0.0	-87.37	369.30	7.75	-79.62
CCC(C)OC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1OC	REAL300018446827	0	54	0.0	-86.49	419.68	8.96	-77.53
C=C(C)COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1OC	REAL300018446828	0	52	0.0	-87.82	413.27	8.88	-78.94
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1OCCC(C)C	REAL300018446829	0	57	0.0	-86.89	441.55	9.63	-77.26
O=C([O-])C1=NN2CCCC([NH2+]C3CCN(CCN4CCOCC4)CC3)C2=C1	REAL300018446830	0	58	0.0	-77.65	420.28	3.36	-74.29
O=C([O-])C1=NN2CCCC(NC3CC[NH+](CCN4CCOCC4)CC3)C2=C1	REAL300018446830	1	58	0.0	-76.13	421.74	4.49	-71.64
CCOCC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1OC	REAL300018446831	0	51	0.0	-80.90	404.00	7.62	-73.28
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(C4=CC=CC=C4)=NN3)C2=C1	REAL300018446832	0	44	0.0	-90.72	359.79	7.33	-83.39
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446833	1	46	0.0	-85.07	378.47	8.37	-76.70
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446834	1	47	0.0	-83.75	398.99	5.96	-77.79
O=C([O-])C1=NN2CCCC([NH2+]CC3=NC(C4=CC=CC=C4)=CS3)C2=C1	REAL300018446835	1	43	0.0	-81.05	363.54	8.17	-72.88
CCN1N=C(C)C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1C	REAL300018446836	0	46	0.0	-83.95	364.12	7.06	-76.89
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446837	0	49	0.0	-82.54	395.89	10.53	-72.01
C=CCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1Cl	REAL300018446838	0	45	0.0	-87.43	380.67	8.77	-78.66
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C(C4=CC=CC=C4)S3)C2=C1	REAL300018446839	0	43	0.0	-83.87	365.42	8.44	-75.43
COCCC(CC1=CC=CC(F)=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446840	0	50	0.0	-93.01	376.18	7.84	-85.17
CC(C)CCC1CCCC1[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446841	0	52	0.0	-74.32	382.68	9.58	-64.74
CCCCC1CCCC1[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446842	0	49	0.0	-73.99	365.11	9.06	-64.93
COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C2OC(C)CC2=C1	REAL300018446843	1	49	0.0	-78.02	386.58	7.27	-70.75
CN1N=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C2=CC=CC=C21	REAL300018446844	1	43	0.0	-83.40	350.34	7.33	-76.07
CN(C)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1F	REAL300018446845	0	45	0.0	-86.52	361.32	6.95	-79.57
CC1CCCCC1[NH+]1CCC(NC2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300018446847	0	58	0.0	-77.44	408.08	9.06	-68.38
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446848	0	52	0.0	-89.27	404.86	10.91	-78.36
CC1(C)CC2=CC(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)=CC=C2O1	REAL300018446850	0	48	0.0	-85.31	377.78	8.65	-76.66
CC(CC1=CSC=C1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446852	0	40	0.0	-73.75	325.17	7.70	-66.05
O=C([O-])C1=NN2CCCC([NH2+]CC3CCCCCCC3)C2=C1	REAL300018446853	0	49	0.0	-78.45	342.90	8.59	-69.86
CC1=CC=CC(C2=NNC=C2C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446854	0	47	0.0	-84.30	370.80	7.89	-76.41
COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC(C(F)(F)F)=C1	REAL300018446855	0	44	0.0	-87.02	368.94	7.72	-79.30
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(Br)C=C3Cl)C2=C1	REAL300018446856	1	37	0.0	-81.60	333.58	8.51	-73.09
CC(CSC(C)(C)C)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446857	0	46	0.0	-77.26	353.33	7.96	-69.30
CN(C)C1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)N1C	REAL300018446858	0	45	0.0	-86.81	358.65	6.56	-80.25
CC(C)COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446859	0	50	0.0	-82.85	393.38	9.12	-73.73
COCCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446860	0	48	0.0	-85.07	385.40	6.90	-78.17
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446861	0	46	0.0	-71.44	372.80	10.40	-61.04
CC1(C)CCCC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300018446862	0	49	0.0	-78.37	355.29	8.63	-69.74
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)C2=C1	REAL300018446863	0	41	0.0	-88.24	355.67	7.53	-80.71
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C4CCCC4=C3)C2=C1	REAL300018446865	0	44	0.0	-80.37	345.90	9.32	-71.05
CC1=CC=CC=C1CC(C)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446866	0	46	0.0	-83.28	347.30	8.96	-74.32
CC1=CC=CC(CC(C)[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446867	0	46	0.0	-72.04	344.96	8.97	-63.07
COC1=CC2=C(C=C1C[NH2+]C1CCCN3N=C(C(=O)[O-])C=C13)OCO2	REAL300018446868	1	44	0.0	-81.83	354.59	5.43	-76.40
COC1=CC(Cl)=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1OC	REAL300018446869	1	45	0.0	-80.78	370.98	7.09	-73.69
COC1=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)SC=C1	REAL300018446870	0	38	0.0	-72.84	320.50	5.82	-67.02
CC(C)COC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446871	0	50	0.0	-81.34	393.38	9.13	-72.21
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(F)C4=CC=CC=C34)C2=C1	REAL300018446872	0	43	0.0	-88.35	346.92	9.57	-78.78
C=CCOC1=C(Cl)C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1OC	REAL300018446873	0	49	0.0	-90.30	413.84	8.77	-81.53
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1CN1C=CC=N1	REAL300018446874	0	51	0.0	-84.77	412.63	8.40	-76.37
CC(C)COC1=CC=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446875	0	50	0.0	-74.39	392.07	9.19	-65.20
CC1(C)CC2=CC=CC(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)=C2O1	REAL300018446876	0	48	0.0	-74.52	377.66	8.63	-65.89
O=C([O-])C1=NN2CCCC([NH2+]CC3=NC4=C(CCCC4)S3)C2=C1	REAL300018446878	1	43	0.0	-77.82	348.91	7.15	-70.67
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=NC=C3Br)C2=C1	REAL300018446879	1	36	0.0	-80.02	312.05	6.20	-73.82
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=NC=C3Cl)C2=C1	REAL300018446880	1	36	0.0	-80.81	308.48	6.09	-74.72
CC(C)(C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12)N1CCOCC1	REAL300018446881	0	49	0.0	-78.20	354.11	4.28	-73.92
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(F)=CC(Br)=C3)C2=C1	REAL300018446882	0	37	0.0	-87.25	328.09	8.09	-79.16
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446883	0	43	0.0	-74.47	355.81	9.22	-65.25
CN1C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(C2=CC=CC=C2)=N1	REAL300018446884	0	47	0.0	-82.93	376.58	8.72	-74.21
CCC1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300018446885	1	41	0.0	-88.63	333.37	6.00	-82.63
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC(N4C=CC=N4)=C3)C2=C1	REAL300018446886	0	44	0.0	-83.41	358.83	8.60	-74.81
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C(F)(F)F)C=C3[N+](=O)[O-])C2=C1	REAL300018446887	1	42	0.0	-87.37	356.83	8.91	-78.46
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC=NC=C4C=C3)C2=C1	REAL300018446888	0	42	0.0	-88.76	341.38	7.89	-80.87
CC1=C(Br)SC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446889	0	37	0.0	-83.35	331.89	7.85	-75.50
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=NNC=C43)C2=C1	REAL300018446890	0	40	0.0	-91.27	326.44	6.11	-85.16
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=CNN=C43)C2=C1	REAL300018446891	0	40	0.0	-75.98	326.65	6.10	-69.88
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC(Br)=CC=C4O3)C2=C1	REAL300018446892	0	40	0.0	-85.44	349.56	8.56	-76.88
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C4CCCN34)C2=C1	REAL300018446893	0	41	0.0	-85.60	326.39	6.99	-78.61
CS(=O)(=O)N1CCC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300018446894	0	45	0.0	-92.26	343.74	2.77	-89.49
COC1=CC(F)=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446895	0	41	0.0	-85.24	336.29	6.77	-78.47
CC(CC1=CN=CC=N1)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446896	0	41	0.0	-73.12	322.80	5.76	-67.36
CC(C)(C)C1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=N1	REAL300018446897	1	47	0.0	-88.06	372.04	7.37	-80.69
COC1=CC=CC=C1N1CCC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CC1	REAL300018446898	0	53	0.0	-84.75	385.46	6.80	-77.95
CC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(Cl)=C1	REAL300018446899	1	40	0.0	-77.14	333.70	8.56	-68.58
COC1=CC=C(OC(F)F)C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446900	1	45	0.0	-81.64	367.79	6.33	-75.31
O=C([O-])C1=NN2CCCC([NH2+]CC3=C(Cl)C=CC=C3OC(F)F)C2=C1	REAL300018446901	1	41	0.0	-74.25	352.35	7.46	-66.79
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)C2=C1	REAL300018446902	0	39	0.0	-101.12	341.05	8.45	-92.67
O=C([O-])C1=NN2CCCC([NH2+]CCC3=CC=CC(Cl)=C3)C2=C1	REAL300018446903	0	40	0.0	-81.91	338.67	8.68	-73.23
O=C([O-])C1=NN2CCCC([NH2+]C3CCCC3C3=CC=CC=C3)C2=C1	REAL300018446904	0	47	0.0	-73.72	358.49	9.68	-64.04
CC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1OC1=CC=CN=C1	REAL300018446905	0	50	0.0	-85.65	404.45	9.17	-76.48
CC(CC1=CC=C(F)C=C1Br)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446906	0	43	0.0	-74.15	359.31	9.28	-64.87
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)S2)C=C1	REAL300018446907	0	46	0.0	-83.79	386.82	9.12	-74.67
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)C2=C1	REAL300018446908	0	42	0.0	-77.03	356.82	8.45	-68.58
O=C([O-])C1=NN2CCCC([NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)C2=C1	REAL300018446909	0	42	0.0	-69.86	354.19	8.34	-61.52
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(F)C4=CC=CN=C34)C2=C1	REAL300018446910	0	42	0.0	-80.92	345.77	7.96	-72.96
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(F)=CC4=CC=CN=C43)C2=C1	REAL300018446911	0	42	0.0	-78.18	346.51	8.01	-70.17
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)C2=C1	REAL300018446912	0	42	0.0	-80.15	354.62	8.35	-71.80
CS(=O)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446913	0	42	0.0	-94.91	352.63	5.99	-88.92
CC(C)CCN1C=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446914	0	50	0.0	-78.20	382.33	9.86	-68.34
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)C2=C1	REAL300018446915	1	44	0.0	-83.34	375.12	9.47	-73.87
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300018446916	0	47	0.0	-84.83	387.54	10.06	-74.77
CCC1=CC=C(C2=CC=C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)O2)C=C1	REAL300018446917	0	50	0.0	-81.99	403.52	10.75	-71.24
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(OC(F)F)=C1	REAL300018446918	1	45	0.0	-84.38	367.79	6.34	-78.04
CC(C)C1CC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CCO1	REAL300018446919	0	47	0.0	-74.20	339.92	6.49	-67.71
CCN1C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(C2=CC=CC=C2)=N1	REAL300018446920	0	50	0.0	-82.74	397.76	9.61	-73.13
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C4CCCCC4=C3)C2=C1	REAL300018446921	0	47	0.0	-79.92	363.12	9.89	-70.03
O=C([O-])C1=NN2CCCC([NH2+]C3CCC(C4CCCCC4)CC3)C2=C1	REAL300018446922	0	56	0.0	-74.66	396.42	10.40	-64.26
CC(C)CC(C)CC(C)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446923	0	51	0.0	-76.71	368.48	8.56	-68.15
CC1=CC=C(C(C)C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446924	0	46	0.0	-78.66	358.03	9.39	-69.27
COC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1C(C)(C)C	REAL300018446925	0	53	0.0	-82.13	401.09	9.39	-72.74
COCC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)O1	REAL300018446926	1	41	0.0	-81.46	336.70	5.43	-76.03
CC(C)(C)OC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446927	0	50	0.0	-80.91	380.80	8.55	-72.36
CC(C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12)C1CCCCC1	REAL300018446928	0	49	0.0	-77.38	356.17	8.85	-68.53
NS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446929	0	42	0.0	-95.43	354.62	2.37	-93.06
O=C([O-])C1=NN2CCCC([NH2+]C3CCC4=CC=CC(Cl)=C4C3)C2=C1	REAL300018446930	0	44	0.0	-76.96	351.42	9.36	-67.60
CCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C(C)=C1	REAL300018446931	0	47	0.0	-82.82	367.09	8.20	-74.62
COC1=CC(C)=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446932	0	44	0.0	-74.74	349.98	7.44	-67.30
O=C([O-])C1=NN2CCCC([NH2+]CC3CCC4=CC=CC=C4C3)C2=C1	REAL300018446933	0	47	0.0	-83.34	359.77	9.85	-73.49
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446934	0	39	0.0	-85.01	342.01	6.53	-78.48
O=C([O-])C1=NN2CCCC([NH2+]C3CCC(C4=CC=C(F)C=C4)C3)C2=C1	REAL300018446935	0	47	0.0	-85.01	354.72	9.30	-75.71
COCC1=CSC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446936	0	41	0.0	-80.25	345.95	6.23	-74.02
CCCC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)S1	REAL300018446937	0	43	0.0	-77.80	355.48	8.87	-68.93
CC1=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=CC=C1[N+](=O)[O-]	REAL300018446939	0	42	0.0	-95.59	340.74	8.66	-86.93
CC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1Br	REAL300018446940	0	40	0.0	-84.86	339.91	8.59	-76.27
COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC=C1Cl	REAL300018446941	0	41	0.0	-88.19	345.95	7.26	-80.93
COC1=CC=CC(C)=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446942	0	44	0.0	-73.64	344.87	7.32	-66.32
O=C([O-])C1=NN2CCCC([NH2+]CC3=C4OC=CC4=CC=C3)C2=C1	REAL300018446943	0	40	0.0	-79.10	327.73	7.73	-71.37
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C(C(F)(F)F)S3)C2=C1	REAL300018446945	1	36	0.0	-90.39	326.45	5.82	-84.57
CCC1=NN(C)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446946	0	43	0.0	-84.07	344.24	6.54	-77.53
O=C([O-])C1=NN2CCCC([NH2+]C3CC4=CC=C(Cl)C=C4C3)C2=C1	REAL300018446948	0	41	0.0	-82.69	333.36	8.78	-73.91
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=C(C=N3)OCCO4)C2=C1	REAL300018446949	1	42	0.0	-82.81	339.82	4.77	-78.04
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C4C=CC(Cl)=CN34)C2=C1	REAL300018446950	0	40	0.0	-87.29	343.95	8.35	-78.94
CC1=CC=CN2C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)=CN=C12	REAL300018446951	0	43	0.0	-87.45	348.67	8.44	-79.01
CN1C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CN=C1Cl	REAL300018446952	1	37	0.0	-88.95	316.72	6.27	-82.68
CN1C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CN=C1Br	REAL300018446953	1	37	0.0	-88.89	321.01	6.30	-82.59
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC(C(F)(F)F)=NN3)C2=C1	REAL300018446955	1	37	0.0	-93.32	321.65	4.77	-88.55
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=C(F)C=CC=C4N3)C2=C1	REAL300018446956	0	41	0.0	-87.54	338.78	7.43	-80.11
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC=C(F)C=C4N3)C2=C1	REAL300018446957	0	41	0.0	-88.91	338.68	7.43	-81.48
CCOC1=CC=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=N1	REAL300018446958	1	43	0.0	-82.72	349.41	5.00	-77.72
CC1=C(Cl)C=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446959	0	40	0.0	-83.08	329.32	8.46	-74.62
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC=NC=C4S3)C2=C1	REAL300018446960	0	39	0.0	-86.27	332.51	7.16	-79.11
CC1=CC=CC2=NC=C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)N21	REAL300018446961	0	43	0.0	-87.36	336.73	8.21	-79.15
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446962	0	49	0.0	-83.77	384.30	8.13	-75.64
C=CCCCCCC(C)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446963	0	49	0.0	-73.97	374.58	9.41	-64.56
CC1=CC(Cl)=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446964	0	40	0.0	-82.76	338.52	8.57	-74.19
COCC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446965	0	44	0.0	-82.30	355.50	7.14	-75.16
COCC(CC(C)(C)C)[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446966	0	49	0.0	-68.79	351.05	6.45	-62.34
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC=CC(F)=C4N=C3)C2=C1	REAL300018446967	0	42	0.0	-95.59	347.84	7.84	-87.75
CC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=CC2=CC=CN=C12	REAL300018446968	0	45	0.0	-88.30	361.63	8.60	-79.70
CC(C)C1CCCC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C1	REAL300018446969	0	49	0.0	-74.82	348.40	8.72	-66.10
CCCOC1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1C	REAL300018446970	0	50	0.0	-82.89	393.35	9.18	-73.71
COC1=C(C)C=NC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1C	REAL300018446971	1	46	0.0	-78.67	364.33	6.31	-72.36
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446972	0	47	0.0	-80.15	374.07	9.06	-71.09
O=C([O-])C1=NN2CCCC([NH2+]C3CCCCC34CCCC4)C2=C1	REAL300018446973	0	50	0.0	-71.91	349.64	9.07	-62.84
CS(=O)(=O)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)S1	REAL300018446974	1	40	0.0	-92.52	353.47	4.09	-88.43
O=C([O-])C1=NN2CCCC([NH2+]CC3=C4N=CC(Br)=CN4N=C3)C2=C1	REAL300018446975	0	39	0.0	-80.68	344.29	6.95	-73.73
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)O2)C=C1	REAL300018446976	0	56	0.0	-81.74	436.75	11.62	-70.12
NC1=C(F)C=CC=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446977	0	39	0.0	-83.92	316.41	5.53	-78.39
CC1CC(NC2CCCN3N=C(C(=O)[O-])C=C23)CC[N@@H+]1CC1=CC=CC=C1	REAL300018446978	0	55	0.0	-76.76	402.63	9.17	-67.59
CC1CC(NC2CCCN3N=C(C(=O)[O-])C=C23)CC[N@H+]1CC1=CC=CC=C1	REAL300018446978	1	55	0.0	-79.27	400.92	9.13	-70.14
CC1CC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CCN1CC1=CC=CC=C1	REAL300018446978	1	55	0.0	-84.96	398.68	8.09	-76.87
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446979	0	57	0.0	-75.03	425.80	10.63	-64.40
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446980	0	57	0.0	-77.84	442.85	10.52	-67.32
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=C(C(F)F)C=C3)C2=C1	REAL300018446981	0	40	0.0	-86.51	334.58	8.33	-78.18
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC4=CC(Cl)=CN=C4O3)C2=C1	REAL300018446982	0	39	0.0	-88.44	339.80	5.39	-83.05
O=C([O-])C1=NN2CCCC([NH2+]CC3=CC=CC4=C3CCC4)C2=C1	REAL300018446983	0	44	0.0	-79.68	344.48	9.23	-70.45
CN1C=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C([N+](=O)[O-])=N1	REAL300018446984	1	39	0.0	-90.67	328.39	6.81	-83.86
COC1=NSC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1	REAL300018446986	1	37	0.0	-87.04	317.70	3.33	-83.71
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C4C=CC(Br)=CN34)C2=C1	REAL300018446987	0	40	0.0	-87.34	348.51	8.46	-78.88
O=C([O-])C1=NN2CCCC([NH2+]CC3=NC=CC4=CC=CC=C43)C2=C1	REAL300018446988	0	42	0.0	-81.89	338.12	7.70	-74.19
COC1=CC=CC(Cl)=C1C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446989	1	41	0.0	-69.85	342.60	7.19	-62.66
CC1=NC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)N1C1=CC=CC=C1	REAL300018446990	0	47	0.0	-79.91	381.03	9.74	-70.17
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1	REAL300018446991	0	55	0.0	-84.31	435.25	12.16	-72.15
CCCN1N=C(C)C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C1C	REAL300018446992	0	49	0.0	-82.64	384.60	7.77	-74.87
CCN(CC)C1=CC=C(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)C=C1F	REAL300018446993	0	51	0.0	-86.60	400.53	8.51	-78.09
COC1=CC(C[NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)=C(SC)C=C1OC	REAL300018446994	0	49	0.0	-80.65	394.72	7.55	-73.10
CN(C)C1=CC=C(N2CCC([NH2+]C3CCCN4N=C(C(=O)[O-])C=C34)CC2)C=C1	REAL300018446995	0	57	0.0	-86.90	408.51	7.62	-79.28
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12	REAL300018446996	0	48	0.0	-89.05	373.55	9.70	-79.35
O=C([O-])C1=NN2CCCC([NH2+]C3CCCC34CCCC4)C2=C1	REAL300018446997	0	47	0.0	-72.87	332.48	8.67	-64.20
CCCC(C[NH2+]C1CCCN2N=C(C(=O)[O-])C=C12)C1=CC=CC=C1	REAL300018446998	0	49	0.0	-79.17	377.54	10.06	-69.11
CC1CC([NH2+]C2CCCN3N=C(C(=O)[O-])C=C23)CC(C2=CC=CC=C2)C1	REAL300018446999	0	53	0.0	-78.13	397.02	10.83	-67.30
O=C([O-])C1=NN2CCCC([NH2+]CC3=CN=C(C4CC4)O3)C2=C1	REAL300018447000	1	40	0.0	-83.87	329.10	4.71	-79.16
CC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1F	REAL300018448841	0	46	0.0	-99.01	368.30	6.78	-92.23
CC1(C)CCCCC1[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448842	0	52	0.0	-87.23	367.59	6.49	-80.74
CC(C)=CCCC(C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448844	0	52	0.0	-83.55	390.39	7.17	-76.38
CC(C)(C)C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448845	0	45	0.0	-82.20	338.01	5.33	-76.87
CC1(C)CC([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC(C)(C)C1	REAL300018448846	0	58	0.0	-86.94	412.05	7.52	-79.42
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC3=CC=CC=C3S1)CCS2(=O)=O	REAL300018448847	0	46	0.0	-95.94	378.96	7.60	-88.34
CC(C)OC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448848	0	53	0.0	-90.26	411.43	7.09	-83.17
CC1=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=CC=C1F	REAL300018448849	0	46	0.0	-101.33	368.31	6.77	-94.56
CC1CCC(C)C([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300018448850	0	52	0.0	-87.45	371.95	6.94	-80.51
O=C([O-])C1CC2(C1)CC([NH2+]CC1=C3NC=CC3=CC=C1)CCS2(=O)=O	REAL300018448851	0	47	0.0	-97.17	372.94	6.07	-91.10
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CSC([N+](=O)[O-])=C1)CCS2(=O)=O	REAL300018448852	0	42	0.0	-111.92	361.63	5.87	-106.05
CC1CC(C)CC([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300018448853	0	52	0.0	-83.41	382.55	6.85	-76.56
CC(C)CC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448854	0	55	0.0	-94.37	422.78	8.75	-85.62
CC1=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=CC(C)=C1	REAL300018448855	0	49	0.0	-94.64	384.40	7.40	-87.24
COC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1[N+](=O)[O-]	REAL300018448856	0	49	0.0	-113.52	397.11	6.81	-106.71
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)CCS2(=O)=O	REAL300018448857	0	43	0.0	-101.74	375.04	7.08	-94.66
CC1=CC=CC(C)=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448858	0	49	0.0	-93.02	374.73	7.14	-85.88
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC(OC(F)F)=C1)CCS2(=O)=O	REAL300018448859	0	47	0.0	-100.49	380.84	5.65	-94.84
O=C([O-])C1CC2(C1)CC([NH2+]CC1=NC=CS1)CCS2(=O)=O	REAL300018448860	0	39	0.0	-93.48	326.36	3.21	-90.27
CC(C)C1CCC([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300018448861	0	55	0.0	-90.02	396.57	7.19	-82.83
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN=CN=C1)CCS2(=O)=O	REAL300018448862	0	41	0.0	-103.55	331.22	4.08	-99.47
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=NC3=CC=CC=C13)CCS2(=O)=O	REAL300018448863	0	48	0.0	-104.53	378.01	6.32	-98.21
CC1CCCC1[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448864	0	46	0.0	-90.31	343.75	5.54	-84.77
CC(CCOCC1=CC=CC=C1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448865	0	56	0.0	-85.33	431.67	7.46	-77.87
O=C([O-])C1CC2(C1)CC([NH2+]C1CC(C3=CC=C(Cl)C=C3)C1)CCS2(=O)=O	REAL300018448866	0	50	0.0	-97.97	401.53	8.38	-89.59
O=C([O-])C1CC2(C1)CC([NH2+]C1CCOCC1)CCS2(=O)=O	REAL300018448867	0	44	0.0	-92.56	331.77	3.08	-89.48
CC(C)CCCC(C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448868	0	54	0.0	-82.93	397.29	7.22	-75.71
CCCCC(CC)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448869	0	51	0.0	-87.27	375.31	6.50	-80.77
CCC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)S1	REAL300018448870	0	46	0.0	-92.24	375.16	6.75	-85.49
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CCCOC1)CCS2(=O)=O	REAL300018448871	0	45	0.0	-94.39	348.57	3.89	-90.50
CN1C2=CC=CC=C2N=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448872	0	49	0.0	-101.79	388.00	6.41	-95.38
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C3OCCC3=C1)CCS2(=O)=O	REAL300018448873	0	48	0.0	-99.79	377.47	5.91	-93.88
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C(N3CCCC3)N=C1)CCS2(=O)=O	REAL300018448874	0	54	0.0	-99.85	415.51	5.98	-93.87
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN=CS1)CCS2(=O)=O	REAL300018448875	0	39	0.0	-96.85	326.32	3.31	-93.54
O=C([O-])C1CC2(C1)CC([NH2+]CC1=C3C=CNC3=CC=C1)CCS2(=O)=O	REAL300018448876	0	47	0.0	-93.20	372.75	6.09	-87.11
CN1C=NC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448877	0	43	0.0	-100.49	341.71	5.20	-95.29
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C3C=CNC3=C1)CCS2(=O)=O	REAL300018448878	0	47	0.0	-97.76	372.95	6.09	-91.67
CC1=NN(C)C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448879	0	46	0.0	-102.11	364.23	4.26	-97.85
CC(CC1=CC=CS1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448880	0	46	0.0	-89.60	356.69	5.92	-83.68
CC1=CC(F)=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448881	0	46	0.0	-99.71	362.76	6.77	-92.94
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448882	0	58	0.0	-86.56	420.11	8.62	-77.94
CN(C)C1=CC=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448883	0	51	0.0	-89.54	392.80	6.06	-83.48
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CSC=N1)CCS2(=O)=O	REAL300018448884	1	39	0.0	-92.86	326.20	3.07	-89.79
O=C([O-])C1CC2(C1)CC([NH2+]C1CCN(C3=CN=CC=N3)CC1)CCS2(=O)=O	REAL300018448885	0	53	0.0	-97.84	401.65	3.91	-93.93
CC1=NNC(C)=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448886	0	46	0.0	-97.87	362.07	3.60	-94.27
CC(C)(C)N1C=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=N1	REAL300018448887	0	52	0.0	-97.59	404.37	5.90	-91.69
CN1N=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448888	0	43	0.0	-101.88	342.19	3.63	-98.25
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN=C(N3CCCC3)N=C1)CCS2(=O)=O	REAL300018448889	0	53	0.0	-96.46	411.17	6.11	-90.35
CC(C)C1=NN(C)C=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448890	0	52	0.0	-99.09	406.78	5.70	-93.39
COCCOC1=CC=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448891	0	54	0.0	-97.71	426.56	5.56	-92.15
COC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1Cl	REAL300018448892	0	47	0.0	-102.09	387.11	5.93	-96.16
COC1=NC=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448893	0	46	0.0	-93.88	367.32	2.85	-91.03
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC3=NC=CC=C13)CCS2(=O)=O	REAL300018448894	0	48	0.0	-104.09	377.67	6.32	-97.77
CC1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)S1	REAL300018448895	0	42	0.0	-96.54	348.27	4.02	-92.52
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC3=C1OCCO3)CCS2(=O)=O	REAL300018448896	0	49	0.0	-93.49	384.50	5.27	-88.22
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC3=C1OCCCO3)CCS2(=O)=O	REAL300018448897	0	52	0.0	-96.51	401.39	6.09	-90.42
O=C([O-])C1CC2(C1)CC([NH2+]C1CC(C3=CC=CC(Cl)=C3)C1)CCS2(=O)=O	REAL300018448898	0	50	0.0	-96.23	398.94	8.20	-88.03
O=C([O-])C1CC2(C1)CC([NH2+]C1CC(C3=CC=CC=C3Cl)C1)CCS2(=O)=O	REAL300018448899	0	50	0.0	-87.27	398.93	8.45	-78.82
CCCOC1=CC=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448900	0	53	0.0	-96.17	414.43	7.09	-89.08
CC(CN1C=NC=N1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448901	0	45	0.0	-86.57	343.87	5.81	-80.76
C#CCCOC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448902	0	52	0.0	-91.01	420.79	7.79	-83.22
CC1=C2C=C(C[NH2+]C3CCS(=O)(=O)C4(CC(C(=O)[O-])C4)C3)C=NC2=NN1	REAL300018448903	0	48	0.0	-111.28	384.64	4.60	-106.68
CC1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=N1	REAL300018448904	0	44	0.0	-95.46	353.62	4.22	-91.24
CCC1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)S1	REAL300018448905	0	45	0.0	-88.85	370.34	4.94	-83.91
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC=C1N1C=NC=N1)CCS2(=O)=O	REAL300018448906	0	49	0.0	-87.21	385.88	9.16	-78.05
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN=C3C=CC=CN13)CCS2(=O)=O	REAL300018448907	0	46	0.0	-103.68	368.41	6.50	-97.18
CN(C)C1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)S1	REAL300018448908	0	47	0.0	-95.50	383.19	4.98	-90.52
CC(C)OC1=CC=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448909	0	53	0.0	-98.10	410.86	6.92	-91.18
CC(C)C1=NC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=CS1	REAL300018448910	1	48	0.0	-92.34	389.36	5.10	-87.24
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CSC(C3CC3)=N1)CCS2(=O)=O	REAL300018448911	1	46	0.0	-92.85	378.05	5.29	-87.56
CCC1=NC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=CS1	REAL300018448912	1	45	0.0	-92.45	369.64	4.53	-87.92
CC(CCC1=CC=CC(F)=C1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448913	0	52	0.0	-88.89	404.02	8.22	-80.67
CC1=CC=CC(CCC(C)[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448914	0	55	0.0	-86.64	419.02	8.82	-77.82
CC1=CC=C(CCC(C)[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448915	0	55	0.0	-93.64	419.00	8.69	-84.95
O=C([O-])C1CC2(C1)CC([NH2+]C1CCC(F)(F)CC1)CCS2(=O)=O	REAL300018448916	0	46	0.0	-98.09	351.80	5.59	-92.50
O=C([O-])C1CC2(C1)CC([NH2+]C1CCN(CC3CC3)CC1)CCS2(=O)=O	REAL300018448917	1	55	0.0	-91.67	404.54	5.00	-86.67
CC(C)(C)C1=NC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=CS1	REAL300018448918	1	51	0.0	-92.02	408.30	5.61	-86.41
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC3=NC=CN=C3C=C1)CCS2(=O)=O	REAL300018448919	0	47	0.0	-104.78	377.63	4.47	-100.31
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN3C=C(Cl)C=CC3=N1)CCS2(=O)=O	REAL300018448920	0	46	0.0	-95.11	385.27	7.08	-88.03
CC(C)(C)C1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)S1	REAL300018448921	0	51	0.0	-95.93	408.41	5.85	-90.08
CC(C)CN1CCC([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300018448922	1	57	0.0	-90.44	414.71	5.41	-85.03
CC1=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C(C)S1	REAL300018448923	0	46	0.0	-94.18	371.58	6.60	-87.58
CC([NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CCCC1	REAL300018448924	0	49	0.0	-88.93	359.29	6.09	-82.84
C#CCOC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448925	0	49	0.0	-93.11	399.30	7.01	-86.10
CC(C)(C)N1CCC([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300018448926	1	57	0.0	-84.79	405.41	4.76	-80.03
COC1=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=CC=C1SC	REAL300018448927	0	51	0.0	-102.05	410.50	6.42	-95.63
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC(C3=CC=CC=C3)=NN1)CCS2(=O)=O	REAL300018448928	0	50	0.0	-104.93	400.97	5.99	-98.94
C=CCCC(CC)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448929	0	49	0.0	-88.67	366.63	6.28	-82.39
CCN1C=CN=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448930	0	46	0.0	-95.10	358.40	5.41	-89.69
CCOCC(C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448931	0	46	0.0	-80.95	352.59	3.96	-76.99
CCCC(CC1=CC=CC=C1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448932	0	55	0.0	-91.07	407.03	8.38	-82.69
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN(C3=CC=CC=C3)N=N1)CCS2(=O)=O	REAL300018448933	1	49	0.0	-100.11	394.48	5.89	-94.22
CCN1N=C(C)C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1C	REAL300018448934	0	52	0.0	-97.36	405.29	5.71	-91.65
C=CCC(C)C(C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448935	0	49	0.0	-89.46	365.12	6.11	-83.35
CC(C)CCC1CCCC1[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448936	0	58	0.0	-82.79	415.81	8.09	-74.70
CCCCC1CCCC1[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448937	0	55	0.0	-89.99	401.56	8.12	-81.87
CN1N=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C2=CC=CC=C21	REAL300018448938	0	49	0.0	-97.27	391.52	5.99	-91.28
CN1C=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=N1	REAL300018448939	0	43	0.0	-92.05	344.44	3.77	-88.28
O=C([O-])C1CC2(C1)CC([NH2+]CC1=C3C=CC=CC3=NN1)CCS2(=O)=O	REAL300018448940	0	46	0.0	-107.88	368.46	4.68	-103.20
O=C([O-])C1CC2(C1)CC([NH2+]CC1=NNC3=CC=CC=C31)CCS2(=O)=O	REAL300018448940	1	46	0.0	-96.63	368.68	4.70	-91.93
CN(C)C1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1F	REAL300018448941	0	51	0.0	-102.61	402.49	5.61	-97.00
O=C([O-])C1CC2(C1)CC([NH2+]CC1=NC=CN1CC(F)(F)F)CCS2(=O)=O	REAL300018448942	0	46	0.0	-99.57	379.37	5.55	-94.02
CC1(C)CC2=CC(C[NH2+]C3CCS(=O)(=O)C4(CC(C(=O)[O-])C4)C3)=CC=C2O1	REAL300018448943	0	54	0.0	-100.13	418.98	7.32	-92.81
CC1=NSC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448944	0	42	0.0	-99.71	348.13	4.48	-95.23
O=C([O-])C1CC2(C1)CC([NH2+]CC1=COC(C3=CC=CC=C3)=N1)CCS2(=O)=O	REAL300018448945	0	49	0.0	-96.13	398.23	4.49	-91.64
CC(CC1=CSC=C1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448946	0	46	0.0	-80.84	366.95	6.48	-74.36
O=C([O-])C1CC2(C1)CC([NH2+]CC1CCCCCCC1)CCS2(=O)=O	REAL300018448947	0	55	0.0	-93.80	384.66	7.26	-86.54
CC1=CSC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=N1	REAL300018448948	0	42	0.0	-93.59	348.16	3.80	-89.79
CC1=NC=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448949	0	45	0.0	-98.80	351.49	4.88	-93.92
CC(CSC(C)(C)C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448950	0	52	0.0	-79.70	390.90	6.43	-73.27
CN(C)C1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)N1C	REAL300018448951	0	51	0.0	-101.14	394.05	5.46	-95.68
O=C([O-])C1CC2(C1)CC([NH2+]CC1=NC(C3=CC=CC=C3)=CN1)CCS2(=O)=O	REAL300018448952	0	50	0.0	-99.70	400.49	6.38	-93.32
CC(C)OCC(C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448953	0	49	0.0	-81.02	372.87	4.73	-76.29
CC(C)COC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448954	0	56	0.0	-89.95	435.11	7.96	-81.99
COCCOC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=C1	REAL300018448955	0	54	0.0	-92.47	427.14	5.73	-86.74
COCC(CC(C)C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448956	0	52	0.0	-87.86	387.07	4.75	-83.11
O=C([O-])C1CC2(C1)CC([NH2+]C1CCCOC1)CCS2(=O)=O	REAL300018448957	0	44	0.0	-83.44	332.01	3.25	-80.19
CC1(C)CCCC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C1	REAL300018448958	0	55	0.0	-94.53	396.57	7.28	-87.25
CC1=CC(N(C)C)=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448959	0	54	0.0	-93.55	408.16	7.02	-86.53
CC1(C)CCCC1[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448960	0	49	0.0	-88.29	358.52	6.39	-81.90
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C3CCCC3=C1)CCS2(=O)=O	REAL300018448961	0	50	0.0	-95.06	387.09	7.98	-87.08
CC1=CC=CC=C1CC(C)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448962	0	52	0.0	-81.16	382.45	7.38	-73.78
CC1=CC=CC(CC(C)[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448963	0	52	0.0	-88.25	397.56	8.05	-80.20
COC1=CC2=C(C=C1C[NH2+]C1CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C1)OCO2	REAL300018448964	0	50	0.0	-96.13	395.74	4.09	-92.04
COC1=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)SC=C1	REAL300018448965	0	44	0.0	-87.15	361.69	4.47	-82.68
CC(C)COC1=CC=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448966	0	56	0.0	-95.97	434.54	7.79	-88.18
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C(F)C3=CC=CC=C13)CCS2(=O)=O	REAL300018448967	0	49	0.0	-103.61	388.14	8.24	-95.37
O=C([O-])C1CC2(C1)CC([NH2+]CCC1CCOCC1)CCS2(=O)=O	REAL300018448968	0	50	0.0	-97.36	375.01	4.62	-92.74
O=C([O-])C1CC2(C1)CC([NH2+]CC1CCSCC1)CCS2(=O)=O	REAL300018448969	0	47	0.0	-91.70	362.74	6.29	-85.41
CC(C)COC1=CC=CC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448970	0	56	0.0	-89.60	433.17	7.85	-81.75
O=C([O-])C1CC2(C1)CC([NH2+]CC1CCCCCC1)CCS2(=O)=O	REAL300018448971	0	52	0.0	-85.95	374.35	7.02	-78.93
CC1(C)CC2=CC=CC(C[NH2+]C3CCS(=O)(=O)C4(CC(C(=O)[O-])C4)C3)=C2O1	REAL300018448972	0	54	0.0	-90.07	418.87	7.27	-82.80
O=C([O-])C1CC2(C1)CC([NH2+]CC1=C(Cl)C=NC=C1Cl)CCS2(=O)=O	REAL300018448973	0	42	0.0	-89.07	365.05	5.11	-83.96
O=C([O-])C1CC2(C1)CC([NH2+]CC1=NC3=C(CCCC3)S1)CCS2(=O)=O	REAL300018448974	0	49	0.0	-93.03	390.09	5.81	-87.22
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=NC=C1Cl)CCS2(=O)=O	REAL300018448975	0	42	0.0	-94.64	348.82	4.77	-89.87
CC(C)(C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)N1CCOCC1	REAL300018448976	0	55	0.0	-93.00	395.75	3.15	-89.85
CCC([NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1)C1CCCC1	REAL300018448977	0	52	0.0	-88.76	373.35	6.78	-81.98
CC1=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=NN1C	REAL300018448978	0	46	0.0	-92.82	363.95	4.23	-88.59
CCC1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=N1	REAL300018448979	0	47	0.0	-103.40	374.54	4.66	-98.74
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC(N3C=CC=N3)=C1)CCS2(=O)=O	REAL300018448980	0	50	0.0	-97.87	400.00	7.26	-90.61
CC1=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=NO1	REAL300018448981	1	42	0.0	-95.18	338.52	4.21	-90.97
CCN1C=NC=C1C[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448982	0	46	0.0	-97.85	358.35	6.20	-91.65
CC1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)N1C	REAL300018448983	0	46	0.0	-100.79	361.67	5.03	-95.76
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC3=CC=NC=C3C=C1)CCS2(=O)=O	REAL300018448984	0	48	0.0	-103.97	382.58	6.54	-97.43
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC3=NNC=C31)CCS2(=O)=O	REAL300018448985	0	46	0.0	-106.41	367.69	4.77	-101.64
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=CC3=CNN=C31)CCS2(=O)=O	REAL300018448986	0	46	0.0	-90.78	367.84	4.75	-86.03
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CN=C3CCCN13)CCS2(=O)=O	REAL300018448987	0	47	0.0	-99.85	367.61	5.64	-94.21
CS(=O)(=O)N1CCC([NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)CC1	REAL300018448988	0	51	0.0	-109.79	395.51	1.92	-107.87
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C(F)C=N1)CCS2(=O)=O	REAL300018448989	0	42	0.0	-97.02	342.98	4.31	-92.71
CC1=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)SC=N1	REAL300018448990	0	42	0.0	-96.73	345.48	3.82	-92.91
COC1=CC(F)=CC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448991	0	47	0.0	-100.34	377.51	5.43	-94.91
CC(CC1=CN=CC=N1)[NH2+]C1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1	REAL300018448992	0	47	0.0	-84.36	357.36	3.26	-81.10
CC(C)(C)C1=NC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=N1	REAL300018448993	0	53	0.0	-102.86	413.21	6.03	-96.83
CC1=NOC(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)=C1	REAL300018448994	0	42	0.0	-102.89	338.52	4.24	-98.65
CC1=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C=CO1	REAL300018448995	0	43	0.0	-94.44	341.45	4.86	-89.58
CC1=CC=C(C[NH2+]C2CCS(=O)(=O)C3(CC(C(=O)[O-])C3)C2)C(Cl)=C1	REAL300018448996	0	46	0.0	-90.73	375.70	7.18	-83.55
O=C([O-])C1CC2(C1)CC([NH2+]CCC1=CC=CC(Cl)=C1)CCS2(=O)=O	REAL300018448997	0	46	0.0	-99.83	379.83	7.36	-92.47
O=C([O-])C1CC2(C1)CC([NH2+]CC1=NOC=C1)CCS2(=O)=O	REAL300018448998	1	39	0.0	-95.37	316.57	3.39	-91.98
O=C([O-])C1CC2(C1)CC([NH2+]C1CCCC1C1=CC=CC=C1)CCS2(=O)=O	REAL300018448999	0	53	0.0	-94.76	399.95	8.37	-86.39
O=C([O-])C1CC2(C1)CC([NH2+]CC1=CC=C(F)C3=CC=CN=C13)CCS2(=O)=O	REAL300018449000	0	48	0.0	-94.51	386.96	6.65	-87.86
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(N4CCCC4)[NH+]=C3)=C2C=N1	REAL300018456161	1	46	0.0	-80.20	368.54	8.31	-71.89
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC4=CC(C(=O)[O-])=NC=C43)C=C2)CC1	REAL300018456173	0	52	0.0	-83.06	404.24	9.36	-73.70
O=C([O-])C1=CC2=CC=CC(NC3CC[NH+](CC4=CC=C(Cl)C=C4)CC3)=C2C=N1	REAL300018456177	0	50	0.0	-96.91	404.79	11.72	-85.19
O=C([O-])C1=CC2=CC=CC(NC3CC[NH+](CC4=CC=CC=C4Cl)CC3)=C2C=N1	REAL300018456178	0	50	0.0	-89.33	401.71	11.74	-77.59
O=C([O-])C1=CC2=CC=CC(NC3CC[NH+](CC4=CC=CC=N4)CC3)=C2C=N1	REAL300018456179	0	49	0.0	-90.87	383.99	9.42	-81.45
O=C([O-])C1=CC2=CC=CC(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)=C2C=N1	REAL300018456184	0	54	0.0	-82.23	423.91	11.24	-70.99
C[NH+](C)CCOC1=CC=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1	REAL300018456192	0	50	0.0	-82.85	400.35	9.96	-72.89
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C1	REAL300018456237	0	50	0.0	-87.77	389.01	11.34	-76.43
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C1	REAL300018456237	1	50	0.0	-88.62	389.33	11.35	-77.27
O=C([O-])C1=CC2=CC=CC(NC3CC[NH+](CC4CC4)CC3)=C2C=N1	REAL300018456238	0	47	0.0	-88.59	361.01	9.89	-78.70
CC(C)C[NH+]1CCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC1	REAL300018456247	0	49	0.0	-87.82	368.31	9.77	-78.05
O=C([O-])C1=CC2=CC=CC(NC3CC[NH+](CC4=CC=NC=C4)CC3)=C2C=N1	REAL300018456254	0	49	0.0	-98.18	383.35	9.51	-88.67
CC(C)(C)[NH+]1CCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC1	REAL300018456255	0	49	0.0	-84.16	358.66	9.08	-75.08
O=C([O-])C1=CC2=CC=CC(NC3CC[NH+](CCN4CCOCC4)CC3)=C2C=N1	REAL300018456261	0	56	0.0	-92.87	417.47	6.76	-86.11
CC1CCCCC1[NH+]1CCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC1	REAL300018456281	0	56	0.0	-87.00	398.29	11.18	-75.82
CC(C)(CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21)[NH+]1CCOCC1	REAL300018456319	0	47	0.0	-81.50	347.36	7.07	-74.43
CC1CC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC[N@@H+]1CC1=CC=CC=C1	REAL300018456420	0	53	0.0	-89.08	398.29	11.42	-77.66
CC1CC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)CC[N@H+]1CC1=CC=CC=C1	REAL300018456420	1	53	0.0	-89.04	405.19	11.75	-77.29
O=C([O-])C1=CC2=CC=CC(NC3CC[N@@H+]4CCCC4C3)=C2C=N1	REAL300018456452	0	44	0.0	-82.20	331.77	8.96	-73.24
O=C([O-])C1=CC2=CC=CC(NC3CC[N@H+]4CCCC4C3)=C2C=N1	REAL300018456452	1	44	0.0	-85.21	334.63	8.80	-76.41
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456456	0	50	0.0	-89.65	393.68	11.28	-78.37
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456456	1	50	0.0	-89.69	393.81	11.29	-78.40
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456537	0	55	0.0	-89.79	410.38	12.15	-77.64
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC2=CC(C(=O)[O-])=NC=C21	REAL300018456537	1	55	0.0	-89.81	413.31	12.26	-77.55
C[NH+]1CCN(C2=NC=C(CNC3=CC=CC4=CC(C(=O)[O-])=NC=C43)C=N2)CC1	REAL300018456542	1	50	0.0	-85.01	398.39	8.91	-76.10
C[NH+](C)CCC1=CC=C(CNC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C=C1	REAL300018456608	0	49	0.0	-84.27	392.96	11.01	-73.26
O=C([O-])C1=CC2=CC=CC(NCC3=CC4=C[NH+]=CC=C4N3)=C2C=N1	REAL300018456676	0	38	0.0	-81.20	322.17	6.91	-74.29
COC1=CC=CC(C[NH+]2CCC(NC3=CC=CC4=CC(C(=O)[O-])=NC=C43)CC2)=C1	REAL300018456685	0	54	0.0	-92.95	418.03	10.56	-82.39
CC(C)(C)[N@@H+]1CCCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C1	REAL300018456697	0	49	0.0	-83.25	358.65	9.06	-74.19
CC(C)(C)[N@H+]1CCCC(NC2=CC=CC3=CC(C(=O)[O-])=NC=C32)C1	REAL300018456697	1	49	0.0	-80.31	354.83	9.51	-70.80
CC1(C)CCCC(C2=CC=CC(NC3CC[NH+](CC(=O)[O-])CC3)=C2)C1	REAL300018456731	0	57	0.0	-32.93	405.48	11.95	-20.98
CC1(C)CCCC(C2=CC=CC(NC3CC[NH+](CCCC(=O)[O-])CC3)=C2)C1	REAL300018456742	0	63	0.0	-56.76	448.43	13.30	-43.46
CC1(C)CCN(CC[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018456785	0	51	0.0	-63.25	397.76	9.32	-53.93
CC1(C)CC[N@H+](CCNCC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018456785	1	51	0.0	-71.47	398.08	10.51	-60.96
CC1(C)CC[N@@H+](CCNCC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018456785	1	51	0.0	-69.39	397.85	10.54	-58.85
CC1(C)CC[N@H+](CCNCC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018456786	0	58	0.0	-63.66	452.22	11.34	-52.32
CC1(C)CC[N@@H+](CCNCC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018456786	1	58	0.0	-63.80	451.76	11.35	-52.45
CC1(C)CCN(CC[NH2+]CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018456786	1	58	0.0	-71.27	451.45	10.16	-61.11
CC1(C)CCN(CC[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018456787	0	51	0.0	-80.48	401.53	8.65	-71.83
CC1(C)CC[N@H+](CCNCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018456787	1	51	0.0	-73.41	401.95	9.85	-63.56
CC1(C)CC[N@@H+](CCNCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018456787	1	51	0.0	-74.86	401.49	9.87	-64.99
CC1(C)CCN(CC[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018456788	0	51	0.0	-80.48	401.53	8.65	-71.83
CC1(C)CC[N@H+](CCNCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018456788	1	51	0.0	-73.41	401.95	9.85	-63.56
CC1(C)CC[N@@H+](CCNCC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018456788	1	51	0.0	-74.86	401.49	9.87	-64.99
CC1(C)CCN(CC[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018456789	0	51	0.0	-53.85	395.46	7.96	-45.89
CC1(C)CC[N@H+](CCNCC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018456789	1	51	0.0	-62.78	397.05	9.21	-53.57
CC1(C)CC[N@@H+](CCNCC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018456789	1	51	0.0	-67.72	398.80	9.18	-58.54
CC1=CC(C[NH2+]CCN2CCC(C)(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018456790	0	54	0.0	-80.38	416.75	8.62	-71.76
CC1=CC(CNCC[N@@H+]2CCC(C)(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018456790	1	54	0.0	-73.46	414.50	9.76	-63.70
CC1=CC(CNCC[N@H+]2CCC(C)(C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018456790	1	54	0.0	-73.24	417.04	9.82	-63.42
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCN1CCC(C)(C)C1	REAL300018456792	0	53	0.0	-70.60	404.92	6.50	-64.10
CC1=NN(CCC(=O)[O-])C(C)=C1CNCC[N@@H+]1CCC(C)(C)C1	REAL300018456792	1	53	0.0	-68.39	405.32	7.71	-60.68
CC1=NN(CCC(=O)[O-])C(C)=C1CNCC[N@H+]1CCC(C)(C)C1	REAL300018456792	1	53	0.0	-68.26	405.22	7.70	-60.56
CC1(C)CCN(CC[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018456793	0	48	0.0	-76.97	371.73	7.01	-69.96
CC1(C)CC[N@H+](CCNCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018456793	1	48	0.0	-70.64	372.95	8.28	-62.36
CC1(C)CC[N@@H+](CCNCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018456793	1	48	0.0	-70.83	372.70	8.31	-62.52
CC1(C)CCN(CC[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018456794	0	48	0.0	-76.97	371.73	7.01	-69.96
CC1(C)CC[N@H+](CCNCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018456794	1	48	0.0	-70.64	372.95	8.28	-62.36
CC1(C)CC[N@@H+](CCNCC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018456794	1	48	0.0	-70.83	372.70	8.31	-62.52
CC(OC1=CC=C(C[NH2+]CCN2CCC(C)(C)C2)C=C1)C(=O)[O-]	REAL300018456795	0	51	0.0	-78.11	389.61	7.61	-70.50
CC(OC1=CC=C(CNCC[N@@H+]2CCC(C)(C)C2)C=C1)C(=O)[O-]	REAL300018456795	1	51	0.0	-71.19	390.58	8.90	-62.29
CC(OC1=CC=C(CNCC[N@H+]2CCC(C)(C)C2)C=C1)C(=O)[O-]	REAL300018456795	1	51	0.0	-71.00	390.82	8.87	-62.13
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCN2CCC(C)(C)C2)C=C1	REAL300018456796	0	51	0.0	-76.48	400.17	6.80	-69.68
COC1=C2OC(C(=O)[O-])=CC2=C(CNCC[N@@H+]2CCC(C)(C)C2)C=C1	REAL300018456796	1	51	0.0	-71.13	400.13	8.02	-63.11
COC1=C2OC(C(=O)[O-])=CC2=C(CNCC[N@H+]2CCC(C)(C)C2)C=C1	REAL300018456796	1	51	0.0	-73.79	400.59	8.01	-65.78
CC1(C)CCN(CC[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)C1	REAL300018456797	0	50	0.0	-58.29	361.69	7.12	-51.17
CC1(C)CCN(CC[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)C1	REAL300018456798	0	47	0.0	-62.87	352.01	6.43	-56.44
CC1(C)CCN(CC[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300018456799	0	44	0.0	-78.01	354.10	7.19	-70.82
CC1(C)CC[N@H+](CCNCC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300018456799	1	44	0.0	-72.04	354.40	8.39	-63.65
CC1(C)CC[N@@H+](CCNCC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300018456799	1	44	0.0	-71.97	354.54	8.41	-63.56
CC1(C)CCN(CC[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018456800	0	47	0.0	-74.70	370.07	7.87	-66.83
CC1(C)CC[N@H+](CCNCC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018456800	1	47	0.0	-69.59	372.54	9.47	-60.12
CC1(C)CC[N@@H+](CCNCC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018456800	1	47	0.0	-69.93	372.08	9.49	-60.44
CC1=CC(Br)=C(OCC(=O)[O-])C(CNCC[N@@H+]2CCC(C)(C)C2)=C1	REAL300018456801	0	51	0.0	-59.33	414.81	9.64	-49.69
CC1=CC(Br)=C(OCC(=O)[O-])C(CNCC[N@H+]2CCC(C)(C)C2)=C1	REAL300018456801	1	51	0.0	-59.20	414.09	10.42	-48.78
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CCN2CCC(C)(C)C2)=C1	REAL300018456801	1	51	0.0	-55.25	413.63	8.37	-46.88
CC1(C)CCN(CC[NH2+]CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018456802	0	44	0.0	-76.64	357.84	7.29	-69.35
CC1(C)CC[N@H+](CCNCC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018456802	1	44	0.0	-70.84	358.14	8.49	-62.35
CC1(C)CC[N@@H+](CCNCC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018456802	1	44	0.0	-70.81	358.28	8.50	-62.31
CC1(C)CCN(CC[NH2+]C2CCCC(CCCC(=O)[O-])C2)C1	REAL300018456803	0	56	0.0	-71.37	402.30	8.35	-63.02
CC1(C)CCN(CC[NH2+]CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018456804	0	54	0.0	-68.83	419.86	8.31	-60.52
CC1(C)CC[N@H+](CCNCC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018456804	1	54	0.0	-75.64	418.95	10.60	-65.04
CC1(C)CC[N@@H+](CCNCC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018456804	1	54	0.0	-75.77	418.50	10.61	-65.16
CC1(C)CCN(CC[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)C1	REAL300018456805	0	51	0.0	-52.27	382.29	8.25	-44.02
CC1(C)CCN(CC[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C1	REAL300018456806	0	44	0.0	-79.59	369.84	7.49	-72.10
CC1(C)CC[N@H+](CCNCC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018456807	0	46	0.0	-87.05	364.69	6.95	-80.10
CC1(C)CC[N@@H+](CCNCC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018456807	1	46	0.0	-87.07	364.83	6.97	-80.10
CC1(C)CCN(CC[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018456807	1	46	0.0	-96.62	364.40	5.75	-90.87
CC(OC1=CC=C(Cl)C=C1CNCC[N@@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300018456808	0	51	0.0	-55.61	406.14	9.42	-46.19
CC(OC1=CC=C(Cl)C=C1CNCC[N@H+]1CCC(C)(C)C1)C(=O)[O-]	REAL300018456808	1	51	0.0	-52.21	406.26	9.40	-42.81
CC(OC1=CC=C(Cl)C=C1C[NH2+]CCN1CCC(C)(C)C1)C(=O)[O-]	REAL300018456808	1	51	0.0	-51.86	405.38	8.19	-43.67
CC1(C)CC[N@H+](CCNCC2=C(F)C=C(C(=O)[O-])C=C2F)C1	REAL300018456809	0	44	0.0	-62.80	352.46	8.04	-54.76
CC1(C)CC[N@@H+](CCNCC2=C(F)C=C(C(=O)[O-])C=C2F)C1	REAL300018456809	1	44	0.0	-63.10	352.22	8.07	-55.03
CC1(C)CCN(CC[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)C1	REAL300018456810	0	47	0.0	-61.44	368.45	7.22	-54.22
CC1(C)CC[N@H+](CCNCC2=CN=C3C=CC(C(=O)[O-])=CN23)C1	REAL300018456810	1	47	0.0	-61.59	368.87	8.42	-53.17
CC1(C)CC[N@@H+](CCNCC2=CN=C3C=CC(C(=O)[O-])=CN23)C1	REAL300018456810	1	47	0.0	-61.82	368.41	8.43	-53.39
CC1(C)CCN(CC[NH2+]CC2=CN=C3C(Br)=CC(C(=O)[O-])=CN23)C1	REAL300018456811	0	47	0.0	-62.66	389.75	7.78	-54.88
CC1(C)CC[N@H+](CCNCC2=CN=C3C(Br)=CC(C(=O)[O-])=CN23)C1	REAL300018456811	1	47	0.0	-61.10	390.17	8.98	-52.12
CC1(C)CC[N@@H+](CCNCC2=CN=C3C(Br)=CC(C(=O)[O-])=CN23)C1	REAL300018456811	1	47	0.0	-59.16	389.71	8.99	-50.17
CC1(C)CCN(CC[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)C1	REAL300018456812	0	47	0.0	-78.01	367.27	6.51	-71.50
CC1(C)CC[N@H+](CCNCC2=CC=CN3C(C(=O)[O-])=CN=C23)C1	REAL300018456812	1	47	0.0	-77.29	367.69	7.72	-69.57
CC1(C)CC[N@@H+](CCNCC2=CC=CN3C(C(=O)[O-])=CN=C23)C1	REAL300018456812	1	47	0.0	-74.29	367.24	7.73	-66.56
CC1(C)CC[N@H+](CCNCC2=CC=CC(C(=O)[O-])=C2Br)C1	REAL300018456813	0	44	0.0	-65.08	353.36	8.41	-56.67
CC1(C)CC[N@@H+](CCNCC2=CC=CC(C(=O)[O-])=C2Br)C1	REAL300018456813	1	44	0.0	-65.44	352.91	8.42	-57.02
CC1(C)CCN(CC[NH2+]CC2=CC=CC(C(=O)[O-])=C2Br)C1	REAL300018456813	1	44	0.0	-65.24	352.75	7.22	-58.02
CC1(C)CC[N@H+](CCNCC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C1	REAL300018456814	0	51	0.0	-65.01	388.43	7.57	-57.44
CC1(C)CC[N@@H+](CCNCC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C1	REAL300018456814	1	51	0.0	-66.25	388.56	7.61	-58.64
CC1(C)CC[N@H+](CCNCC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300018456815	0	51	0.0	-71.92	388.69	7.92	-64.00
CC1(C)CC[N@@H+](CCNCC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300018456815	1	51	0.0	-72.50	389.85	7.91	-64.59
CC1(C)CCN(CC[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C1	REAL300018456815	1	51	0.0	-78.95	389.29	6.74	-72.21
CC1(C)CCN(CC[NH2+]CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300018456816	0	47	0.0	-69.79	380.64	7.79	-62.00
CC1(C)CC[N@H+](CCNCC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300018456816	1	47	0.0	-67.45	380.61	8.97	-58.48
CC1(C)CC[N@@H+](CCNCC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300018456816	1	47	0.0	-65.22	380.74	8.99	-56.23
CC1(C)CCN(CC[NH2+]CC2=CN=C3C(C(=O)[O-])=CC(Br)=CN23)C1	REAL300018456817	0	47	0.0	-86.19	389.82	7.99	-78.20
CC1(C)CC[N@H+](CCNCC2=CN=C3C(C(=O)[O-])=CC(Br)=CN23)C1	REAL300018456817	1	47	0.0	-81.08	390.24	9.19	-71.89
CC1(C)CC[N@@H+](CCNCC2=CN=C3C(C(=O)[O-])=CC(Br)=CN23)C1	REAL300018456817	1	47	0.0	-82.08	389.79	9.20	-72.88
CC1(C)CCN(CC[NH2+]C2CC(C(=O)[O-])(C3=CC=CC(Br)=C3)C2)C1	REAL300018456818	0	51	0.0	-57.14	400.31	8.79	-48.35
CC1(C)CCN(CC[NH2+]CC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300018456819	0	44	0.0	-68.68	362.89	7.40	-61.28
CC1(C)CC[N@H+](CCNCC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300018456819	1	44	0.0	-65.56	363.19	8.61	-56.95
CC1(C)CC[N@@H+](CCNCC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300018456819	1	44	0.0	-65.34	363.33	8.62	-56.72
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1	REAL300018456820	0	39	0.0	-94.29	326.88	10.43	-83.86
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456821	0	46	0.0	-73.07	383.05	12.95	-60.12
CC1=C(C(=O)[O-])C=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456822	1	39	0.0	-81.99	327.95	9.40	-72.59
O=C([O-])C1=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=CO1	REAL300018456823	0	36	0.0	-56.74	304.48	8.70	-48.04
O=C([O-])CN1CCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CC1	REAL300018456824	0	44	0.0	-75.16	335.42	7.46	-67.70
O=C([O-])C1=COC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456825	1	36	0.0	-82.49	309.95	8.68	-73.81
O=C([O-])C1CCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CC1	REAL300018456826	0	42	0.0	-78.06	321.83	9.59	-68.47
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456828	1	36	0.0	-80.49	310.03	8.89	-71.60
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456829	1	36	0.0	-80.49	310.03	8.89	-71.60
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])O2)C=C1	REAL300018456830	0	46	0.0	-95.77	386.81	12.28	-83.49
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])O2)C=C1	REAL300018456831	0	46	0.0	-95.77	386.81	12.28	-83.49
O=C([O-])C1CCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CC1	REAL300018456832	0	42	0.0	-78.06	321.83	9.59	-68.47
O=C([O-])C1=CC=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456833	0	39	0.0	-82.37	326.87	10.41	-71.96
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456834	0	46	0.0	-58.13	381.81	11.65	-46.48
O=C([O-])C1=NNC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456835	0	36	0.0	-92.43	308.28	6.86	-85.57
CC1=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=CC(C)=C1OCC(=O)[O-]	REAL300018456836	0	49	0.0	-97.29	399.92	12.13	-85.16
O=C([O-])CCC[NH+]1CCC(N[C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CC1	REAL300018456837	0	50	0.0	-64.84	381.20	9.94	-54.90
O=C([O-])CCCN1CCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CC1	REAL300018456837	1	50	0.0	-82.56	382.13	8.93	-73.63
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456838	0	48	0.0	-86.25	390.15	10.13	-76.12
O=C([O-])COC1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1	REAL300018456839	0	43	0.0	-92.66	358.16	10.68	-81.98
O=C([O-])COC1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1	REAL300018456840	0	43	0.0	-92.66	358.16	10.68	-81.98
O=C([O-])C1=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=CS1	REAL300018456841	0	36	0.0	-84.73	317.40	9.48	-75.25
O=C([O-])CC1CCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CC1	REAL300018456842	0	45	0.0	-76.21	338.89	10.21	-66.00
O=C([O-])C1=NOC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456843	1	35	0.0	-89.56	304.08	7.97	-81.59
O=C([O-])C1=CC=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=N1	REAL300018456844	0	38	0.0	-78.28	322.70	8.59	-69.69
O=C([O-])C1=NOC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456845	1	35	0.0	-89.56	304.08	7.97	-81.59
CC(OC1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1)C(=O)[O-]	REAL300018456846	0	46	0.0	-92.85	376.04	11.28	-81.57
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1	REAL300018456847	0	46	0.0	-94.01	385.44	10.43	-83.58
CC1CC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])CCC1C(=O)[O-]	REAL300018456848	0	45	0.0	-75.88	327.93	10.21	-65.67
O=C([O-])C=CC1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456849	1	40	0.0	-92.66	344.36	8.49	-84.17
O=C([O-])C(F)(F)C1CCCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456850	0	45	0.0	-78.51	351.38	10.41	-68.10
O=C([O-])C(F)(F)C1CCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456851	0	42	0.0	-76.97	340.41	10.18	-66.79
CC1=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C(C(=O)[O-])O1	REAL300018456852	0	39	0.0	-84.82	330.05	9.58	-75.24
CC1=C(C(=O)[O-])OC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456853	1	39	0.0	-80.63	327.65	9.52	-71.11
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1Cl	REAL300018456854	0	39	0.0	-93.44	339.36	10.82	-82.62
CC(CC(C)(C)CC(=O)[O-])[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456855	0	47	0.0	-69.23	338.31	10.38	-58.85
CC1C(CC(=O)[O-])CCC1[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456856	0	45	0.0	-81.60	342.59	10.26	-71.34
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C(C(F)(F)F)=C1	REAL300018456857	0	42	0.0	-84.00	352.01	11.26	-72.74
CN1C=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C(C(=O)[O-])=N1	REAL300018456858	0	39	0.0	-66.04	326.68	8.25	-57.79
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=C1Br	REAL300018456859	0	39	0.0	-92.01	343.10	10.91	-81.10
CCC1=C(C(=O)[O-])C=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456860	1	42	0.0	-82.54	349.75	10.15	-72.39
O=C([O-])CCCC1CCCC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456861	0	51	0.0	-83.00	373.84	11.97	-71.03
CC(CCCC(C)(C)C(=O)[O-])[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456862	0	50	0.0	-83.62	379.36	11.38	-72.24
O=C([O-])CN1C=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018456863	0	49	0.0	-80.68	401.64	11.77	-68.91
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])N=C1	REAL300018456864	0	38	0.0	-82.72	322.35	8.55	-74.17
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456865	0	46	0.0	-71.70	363.81	11.76	-59.94
CN1N=C(C(=O)[O-])C=C1C[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456866	0	39	0.0	-96.82	328.74	8.09	-88.73
O=C([O-])CCC1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])O1	REAL300018456867	1	42	0.0	-82.38	351.67	10.31	-72.07
O=C([O-])C1=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=CC=C1F	REAL300018456868	0	39	0.0	-93.64	331.42	10.45	-83.19
O=C([O-])CCC1CC([NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456869	0	42	0.0	-77.67	333.25	10.07	-67.60
O=C([O-])C1=CC2=C(SC(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])=C2)S1	REAL300018456870	0	39	0.0	-95.98	355.45	11.08	-84.90
O=C([O-])C1=C2N=CC(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])=CN2N=C1	REAL300018456871	0	41	0.0	-113.55	349.66	9.37	-104.18
O=C([O-])C1=CC=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C=N1	REAL300018456872	0	38	0.0	-97.35	322.57	8.63	-88.72
CC(OC1=CC=C(Cl)C=C1C[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-])C(=O)[O-]	REAL300018456873	0	46	0.0	-68.39	391.17	11.86	-56.53
O=C([O-])C1=CC(F)=C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C(F)=C1	REAL300018456874	1	39	0.0	-76.36	337.45	10.47	-65.89
O=C([O-])C1=CN2C(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])=CN=C2C=C1	REAL300018456875	0	42	0.0	-72.80	353.72	10.84	-61.96
CC1=CC(C(=O)[O-])=NC=C1C[NH2+][C@H]1CCC2=C1C=CC=C2[N+](=O)[O-]	REAL300018456876	0	41	0.0	-95.85	337.97	9.23	-86.62
O=C([O-])[C@@H]1CC[C@H](C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456877	0	42	0.0	-84.96	331.45	10.08	-74.88
O=C([O-])C1=CN=C2C(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])=CC=CN12	REAL300018456878	0	42	0.0	-90.03	352.54	10.13	-79.90
O=C([O-])C1=CC=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1Br	REAL300018456879	1	39	0.0	-80.21	338.06	10.83	-69.38
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+][C@H]3CCC4=C3C=CC=C4[N+](=O)[O-])=N2)C1	REAL300018456880	1	46	0.0	-80.84	373.61	9.99	-70.85
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])C1	REAL300018456881	0	46	0.0	-92.67	373.95	10.31	-82.36
O=C([O-])C1=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=CC(C(F)(F)F)=C1	REAL300018456882	0	42	0.0	-82.37	365.91	11.42	-70.95
O=C([O-])C1=CC=C(O)C(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456883	0	40	0.0	-80.24	335.36	7.71	-72.53
O=C([O-])C1=CC(Br)=CC(C[NH2+][C@H]2CCC3=C2C=CC=C3[N+](=O)[O-])=C1	REAL300018456884	0	39	0.0	-80.82	348.17	11.02	-69.80
CSC1=CC=CC=C1CC(C)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456885	0	49	0.0	-80.25	402.49	12.27	-67.98
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(Cl)=CC4=C3OCC4)OC2=C1	REAL300018456886	0	44	0.0	-83.02	382.95	10.44	-72.58
CC(C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1)CC1=CC=CC=C1	REAL300018456887	0	48	0.0	-86.10	387.18	12.12	-73.98
CC1(C)CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018456888	0	45	0.0	-83.11	353.45	10.06	-73.05
CN1C=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C(C2CCCCC2)=N1	REAL300018456889	0	55	0.0	-90.24	437.30	11.63	-78.61
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CN(CC4=CC=CN=C4)N=N3)OC2=C1	REAL300018456890	0	47	0.0	-96.02	403.45	8.66	-87.36
CCC1CCCC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018456891	0	51	0.0	-84.80	383.52	11.40	-73.40
COC1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018456892	0	46	0.0	-81.62	359.73	8.62	-73.00
CC1CCCCC1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456893	0	48	0.0	-85.17	361.88	10.65	-74.52
CC(C)C1=CN=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)S1	REAL300018456894	0	44	0.0	-83.09	379.02	9.44	-73.65
CC1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C(C)C1	REAL300018456895	0	48	0.0	-82.00	367.48	10.75	-71.25
CC1CCCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1C	REAL300018456896	0	48	0.0	-81.66	356.80	10.38	-71.28
CC1CC(C)(C)CCC1[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456897	0	51	0.0	-82.62	380.62	11.03	-71.59
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC=CC3=CC=C(F)C=C3F)OC2=C1	REAL300018456898	0	43	0.0	-91.66	373.42	11.49	-80.17
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3CC4CCC3C4)OC2=C1	REAL300018456899	0	46	0.0	-85.53	355.74	10.72	-74.81
CCN1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018456900	1	47	0.0	-83.94	362.47	7.61	-76.33
O=C([O-])C1=CC=C2C=C(CC[NH2+]C3CCC4=CC=CC=C4C3)OC2=C1	REAL300018456901	0	46	0.0	-88.78	367.75	11.62	-77.16
CCCCCC(CCCCC)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456902	0	59	0.0	-83.39	453.14	13.69	-69.70
COC1=CC=C2CCC([NH2+]CCC3=CC4=CC=C(C(=O)[O-])C=C4O3)CC2=C1	REAL300018456903	0	50	0.0	-90.92	397.29	10.92	-80.00
CC1(C)CCCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018456904	0	48	0.0	-83.57	363.33	10.35	-73.22
CCC(CC1=CC=CS1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456905	0	45	0.0	-78.66	369.88	11.12	-67.54
CCC(CC1=CC=C(C)C=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456906	0	51	0.0	-80.66	399.98	12.63	-68.03
CCCC(CCC1=CC=CC=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456907	0	54	0.0	-87.82	427.08	13.58	-74.24
O=C([O-])C1=CC=C2C=C(CC[NH2+]C3CCCOCC3)OC2=C1	REAL300018456908	0	43	0.0	-86.79	332.24	7.53	-79.26
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=C(Br)C=CS3)OC2=C1	REAL300018456909	0	36	0.0	-80.53	340.14	9.72	-70.81
CC(C)CCC(C)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456910	0	47	0.0	-81.77	366.57	10.48	-71.29
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456911	0	51	0.0	-92.44	413.49	10.87	-81.57
CC(CCC1=CC=C(O)C=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456912	0	49	0.0	-89.82	398.44	9.36	-80.46
COC1=CC=C(CC(C)[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1OC	REAL300018456913	0	53	0.0	-87.77	424.04	10.63	-77.14
COC1=CC=C(CCC(C)[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018456914	0	52	0.0	-88.93	416.93	11.51	-77.42
CC(CCC1=CC=CO1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456915	0	45	0.0	-87.89	368.17	10.32	-77.57
CC(CC1=CC=C(F)C=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456916	0	45	0.0	-88.30	371.67	11.49	-76.81
CC(CCN1C=CC=N1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456917	0	45	0.0	-92.15	368.42	9.40	-82.75
CC(CC1=CC=C(Cl)C=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456918	0	45	0.0	-87.19	381.99	11.94	-75.25
CC(CN1C=CC=N1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456919	0	42	0.0	-75.84	344.96	9.03	-66.81
CC(CCC1=CC=C(F)C=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456920	0	48	0.0	-90.88	393.83	12.28	-78.60
CC(CC1CCOCC1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456921	0	49	0.0	-86.15	377.40	9.00	-77.15
CC(CCC1CCCCC1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456922	0	54	0.0	-82.53	408.21	12.37	-70.16
CC(CCC1=CC=CC=C1F)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456923	0	48	0.0	-87.18	392.99	12.25	-74.93
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CC1=CC=C(C2CCCC2[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018456925	0	52	0.0	-84.42	410.09	13.05	-71.37
CC(CC1CCCC1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456926	0	48	0.0	-82.38	369.88	11.01	-71.37
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456927	0	48	0.0	-87.50	404.03	12.43	-75.07
CC(C)C1=CC=C(CC[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018456928	0	51	0.0	-87.76	412.20	12.79	-74.97
CC(CC1CCOC1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456929	0	46	0.0	-86.25	359.78	8.43	-77.82
O=C([O-])C1=CC=C2C=C(CC[NH2+]C3CCC(C(F)(F)F)CC3)OC2=C1	REAL300018456930	0	45	0.0	-85.43	360.29	10.61	-74.82
CC1CC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CN(CC2=CC=CC=C2)C1	REAL300018456931	0	57	0.0	-86.37	438.82	11.57	-74.80
CC1=CN2C=C(C[NH2+]CCC3=CC4=CC=C(C(=O)[O-])C=C4O3)N=C2C=C1	REAL300018456932	0	45	0.0	-86.32	378.82	11.25	-75.07
CC(CCC(C)(C)C)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456933	0	50	0.0	-82.02	382.74	10.87	-71.15
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=C(F)C=CC=C3OC(F)(F)F)OC2=C1	REAL300018456934	0	43	0.0	-80.43	380.43	9.97	-70.46
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C4OC=CC4=C3)OC2=C1	REAL300018456936	0	42	0.0	-90.82	357.84	10.42	-80.40
CN(C)CC1=CN=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)S1	REAL300018456937	0	46	0.0	-84.19	391.99	6.86	-77.33
COCC1=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=NO1	REAL300018456938	1	42	0.0	-88.74	361.05	7.29	-81.45
O=C([O-])C1=CC=C2C=C(CC[NH2+]CCC3=CC=C(Cl)C=C3)OC2=C1	REAL300018456939	0	42	0.0	-92.03	368.70	11.38	-80.65
CC1=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)N(C)N=C1	REAL300018456940	0	42	0.0	-91.81	351.37	8.27	-83.54
CC(C)N1C=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)N=N1	REAL300018456941	0	44	0.0	-90.44	367.52	7.97	-82.47
CC1=CC=CC=C1N1C=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)N=N1	REAL300018456943	0	48	0.0	-91.40	404.51	10.81	-80.59
CN(C)C1=NC=CC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456944	0	46	0.0	-83.88	380.78	9.16	-74.72
CCOC1CC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1SC	REAL300018456945	0	47	0.0	-80.71	393.07	9.66	-71.05
COCCOCC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018456946	0	53	0.0	-89.21	441.00	10.05	-79.16
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(C4CCCC4)C=C3)OC2=C1	REAL300018456948	0	52	0.0	-84.84	414.01	13.28	-71.56
COC1=CC=C(F)C=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456949	0	43	0.0	-83.81	365.00	9.52	-74.29
CC1(C2=CC=CC=C2)CC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018456950	0	49	0.0	-84.86	388.63	12.51	-72.35
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CN(CC(F)F)N=C3)OC2=C1	REAL300018456951	0	42	0.0	-91.29	367.80	9.05	-82.24
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456952	0	49	0.0	-81.36	402.81	10.91	-70.45
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(C4CCC4)C=C3)OC2=C1	REAL300018456953	0	49	0.0	-84.91	396.22	12.68	-72.23
CC1=NOC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456954	0	38	0.0	-91.70	326.95	8.09	-83.61
CC1=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=CS1	REAL300018456955	0	39	0.0	-85.21	337.70	9.81	-75.40
CC1CN(C2=CC=CC=C2C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CCO1	REAL300018456956	0	55	0.0	-84.56	435.18	10.47	-74.09
CS(=O)(=O)CC1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018456957	0	51	0.0	-94.95	401.79	7.96	-86.99
CC1=CN=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)S1	REAL300018456958	0	38	0.0	-83.27	337.16	8.03	-75.24
COCC1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018456959	0	49	0.0	-85.10	383.13	9.18	-75.92
CC1=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)N2C(C3CC3)=CSC2=N1	REAL300018456960	0	49	0.0	-91.45	413.17	12.12	-79.33
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C4CCCC4=N3)OC2=C1	REAL300018456961	0	45	0.0	-84.91	370.93	10.13	-74.78
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456962	0	52	0.0	-78.28	418.81	13.93	-64.35
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=NN3C3CCCC3)OC2=C1	REAL300018456963	0	49	0.0	-91.96	396.62	10.59	-81.37
CCN1N=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=N1	REAL300018456964	0	41	0.0	-88.23	349.14	7.12	-81.11
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(C4CC4)C=C3)OC2=C1	REAL300018456965	0	46	0.0	-85.44	379.68	12.19	-73.25
O=C([O-])C1=CC=C2C=C(CC[NH2+]C3CCN(C4CC4)CC3)OC2=C1	REAL300018456966	0	48	0.0	-84.30	370.63	8.30	-76.00
CC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)N=N1	REAL300018456967	0	40	0.0	-91.03	341.98	7.80	-83.23
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456968	0	49	0.0	-91.38	415.35	11.96	-79.42
CC1=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=CC=C1C(F)(F)F	REAL300018456969	0	45	0.0	-92.77	384.88	11.60	-81.17
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CN=NN3C3=CC=CC=C3)OC2=C1	REAL300018456970	0	45	0.0	-93.00	380.79	9.73	-83.27
CCC1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C1O	REAL300018456971	0	46	0.0	-82.17	381.75	8.81	-73.36
CCCCOC1=CC=CC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456972	0	52	0.0	-79.94	423.45	11.97	-67.97
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C4OCCOC4=C3)OC2=C1	REAL300018456973	0	45	0.0	-90.31	374.97	9.25	-81.06
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=CC(Br)=C3)OC2=C1	REAL300018456974	0	39	0.0	-87.79	351.75	10.70	-77.09
COC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1OC	REAL300018456975	0	47	0.0	-91.91	389.21	9.28	-82.63
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=CC=C3C(F)(F)F)OC2=C1	REAL300018456976	0	42	0.0	-89.41	359.01	11.16	-78.25
CCOC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1OC	REAL300018456977	0	50	0.0	-91.74	411.06	10.20	-81.54
CC1=CC=CC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456978	0	42	0.0	-84.24	345.25	10.72	-73.52
CCC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018456979	0	45	0.0	-84.77	373.35	11.53	-73.24
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)OC2=C1	REAL300018456980	0	46	0.0	-90.04	397.12	12.04	-78.00
CC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1C	REAL300018456981	0	45	0.0	-84.71	368.87	11.29	-73.42
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(Br)=CS3)OC2=C1	REAL300018456982	0	36	0.0	-86.64	342.15	9.82	-76.82
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)OC2=C1	REAL300018456983	0	45	0.0	-87.65	401.71	10.94	-76.71
CC1=NN(C)C(Cl)=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456984	0	42	0.0	-84.85	368.61	8.73	-76.12
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)OC2=C1	REAL300018456985	0	46	0.0	-94.54	388.82	11.29	-83.25
CCOC1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C1	REAL300018456986	0	46	0.0	-85.73	381.82	10.31	-75.42
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=CC4=C3OCO4)OC2=C1	REAL300018456987	0	42	0.0	-84.71	356.48	8.74	-75.97
O=C([O-])C1=CC=C2C=C(CC[NH2+]C3CCCCCCC3)OC2=C1	REAL300018456988	0	48	0.0	-83.28	351.03	10.30	-72.98
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CSN=N3)OC2=C1	REAL300018456989	1	34	0.0	-90.93	309.10	6.47	-84.46
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3CCCCC3)OC2=C1	REAL300018456990	0	45	0.0	-84.71	351.47	10.41	-74.30
COC1=NC2=CC=CC=C2C=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018456991	0	48	0.0	-89.07	401.36	9.10	-79.97
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(C(F)(F)F)=CC=C3Cl)OC2=C1	REAL300018456992	0	42	0.0	-85.65	381.36	11.58	-74.07
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(F)C(Cl)=C3)OC2=C1	REAL300018456993	0	39	0.0	-93.66	353.05	10.65	-83.01
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)OC2=C1	REAL300018456994	0	42	0.0	-96.52	374.78	11.14	-85.38
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(Cl)=CC=C3Cl)OC2=C1	REAL300018456995	0	39	0.0	-82.66	359.89	11.04	-71.62
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(F)C=C3C(F)(F)F)OC2=C1	REAL300018456996	0	42	0.0	-94.48	365.41	11.23	-83.25
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)OC2=C1	REAL300018456997	0	42	0.0	-94.30	375.60	11.15	-83.15
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(F)=CC=C3Br)OC2=C1	REAL300018456998	0	39	0.0	-82.71	353.15	10.71	-72.00
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(Cl)=CC=C3F)OC2=C1	REAL300018456999	0	39	0.0	-84.23	352.76	10.63	-73.60
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(F)=CC(F)=C3)OC2=C1	REAL300018457000	0	39	0.0	-92.87	343.28	10.22	-82.65
CC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1F	REAL300018457577	0	42	0.0	-89.73	357.18	10.80	-78.93
CC1(C)CCCCC1[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457578	0	48	0.0	-80.74	356.62	10.53	-70.21
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])OC2=C1	REAL300018457580	0	41	0.0	-84.54	366.95	11.18	-73.36
CC(C)=CCCC(C)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457581	0	48	0.0	-82.42	379.72	11.20	-71.22
CC1(C)CC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC(C)(C)C1	REAL300018457582	0	54	0.0	-84.51	400.39	11.39	-73.12
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457583	0	52	0.0	-88.67	419.33	12.26	-76.41
COC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C(Cl)=C1OC	REAL300018457584	0	47	0.0	-86.37	405.06	9.87	-76.50
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)OC2=C1	REAL300018457585	0	46	0.0	-88.62	397.83	12.71	-75.91
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC4=CC=CC=C4S3)OC2=C1	REAL300018457586	0	42	0.0	-87.51	367.85	11.63	-75.88
CC(C)OC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018457587	0	49	0.0	-87.76	399.74	10.94	-76.82
CC(C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018457588	0	60	0.0	-85.55	463.38	14.45	-71.10
CC1=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=CC=C1F	REAL300018457589	0	42	0.0	-90.96	357.19	10.79	-80.17
CC1CCC(C)C([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018457590	0	48	0.0	-81.80	360.44	10.52	-71.28
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=C4NC=CC4=CC=C3)OC2=C1	REAL300018457591	0	43	0.0	-87.86	361.82	10.09	-77.77
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CSC([N+](=O)[O-])=C3)OC2=C1	REAL300018457592	0	38	0.0	-100.27	350.51	9.89	-90.38
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=CC=C3N3CCOCC3)OC2=C1	REAL300018457593	0	52	0.0	-84.25	415.03	9.65	-74.60
CC1CC(C)CC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018457594	0	48	0.0	-83.43	364.00	10.44	-72.99
CC(C)CC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018457595	0	51	0.0	-84.56	411.66	12.77	-71.79
CC1=CC=C(C2=CC=CC(C[NH2+]CCC3=CC4=CC=C(C(=O)[O-])C=C4O3)=C2)C=C1	REAL300018457596	0	52	0.0	-88.38	426.08	14.17	-74.21
CC1=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=CC(C)=C1	REAL300018457597	0	45	0.0	-85.05	373.27	11.41	-73.64
COC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1[N+](=O)[O-]	REAL300018457598	0	45	0.0	-104.41	385.98	10.82	-93.59
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC(Cl)=CC(Cl)=C3)OC2=C1	REAL300018457599	0	39	0.0	-90.88	363.92	11.10	-79.78
CC1=CC=CC(C)=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457600	0	45	0.0	-84.28	363.61	11.16	-73.12
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C1	REAL300018457601	0	52	0.0	-87.78	426.52	14.17	-73.61
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=CC=CC(OC(F)F)=C3)OC2=C1	REAL300018457602	0	43	0.0	-90.20	369.72	9.67	-80.53
CCOC1=CC=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1OCC	REAL300018457603	0	53	0.0	-91.72	432.92	11.13	-80.59
O=C([O-])C1=CC=C2C=C(CC[NH2+]CC3=NC=CS3)OC2=C1	REAL300018457604	0	35	0.0	-83.61	315.24	7.23	-76.38
CC(C)C1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457605	0	51	0.0	-81.46	378.80	11.41	-70.05
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CC(C)COC1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C1	REAL300018457764	0	52	0.0	-85.43	423.42	11.81	-73.62
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CC1(C)CC2=CC=CC(C[NH2+]CCC3=CC4=CC=C(C(=O)[O-])C=C4O3)=C2O1	REAL300018457770	0	50	0.0	-80.53	407.71	11.32	-69.21
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CCOC1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=N1	REAL300018457872	0	45	0.0	-87.65	379.48	7.69	-79.96
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CC(CCC1=CC=CN=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457931	0	47	0.0	-90.19	382.25	10.42	-79.77
CC(C)C1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C1	REAL300018457932	0	48	0.0	-85.04	390.68	12.01	-73.03
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CCOC1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457944	0	49	0.0	-86.79	383.65	9.44	-77.35
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CCC1(CC)CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457958	0	54	0.0	-84.27	392.10	11.34	-72.93
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CC(CC1=COC2=CC=CC=C12)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457961	0	48	0.0	-85.14	391.78	11.77	-73.37
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CCCN1N=CC=C1C[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457963	0	45	0.0	-90.24	369.67	9.36	-80.88
CC1=CC=C2C=C(C[NH2+]CCC3=CC4=CC=C(C(=O)[O-])C=C4O3)NC2=C1	REAL300018457964	0	46	0.0	-90.03	383.72	10.69	-79.34
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CC(C)C1CCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C1	REAL300018457971	0	48	0.0	-83.74	371.72	10.80	-72.94
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CC1CCCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457976	0	48	0.0	-83.75	360.74	10.46	-73.29
CCC1CCCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457977	0	51	0.0	-83.63	378.82	11.13	-72.50
CC1(C)CCCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457978	0	51	0.0	-85.25	370.21	10.68	-74.57
CC(C)(C)C1CCCC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CC1	REAL300018457979	0	57	0.0	-83.92	409.93	11.94	-71.98
CC1CC([NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)CCN1C	REAL300018457980	1	47	0.0	-84.35	362.46	7.52	-76.83
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CC([NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1)C1CCCO1	REAL300018457982	0	43	0.0	-80.30	340.03	7.89	-72.41
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COCC1=CC=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C1	REAL300018457984	0	46	0.0	-87.17	385.52	9.81	-77.36
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CC1=CC(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)=C(OC(F)F)C=C1C	REAL300018457986	0	49	0.0	-85.16	406.69	10.94	-74.22
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457987	0	56	0.0	-86.68	437.06	11.15	-75.53
CC1=CC=C(CC[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1	REAL300018457988	0	45	0.0	-88.08	373.37	11.54	-76.54
CCCCC(C)C(C)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457989	0	50	0.0	-81.26	381.44	10.99	-70.27
COC1=CC(C)=C(C[NH2+]CCC2=CC3=CC=C(C(=O)[O-])C=C3O2)C=C1OC	REAL300018457990	0	50	0.0	-91.08	403.95	9.90	-81.18
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COC1=CC=C(N2C=C(C[NH2+]CCC3=CC4=CC=C(C(=O)[O-])C=C4O3)C=N2)C=C1	REAL300018457998	0	50	0.0	-92.66	418.78	10.60	-82.06
CC(CCC1=CSC=C1)[NH2+]CCC1=CC2=CC=C(C(=O)[O-])C=C2O1	REAL300018457999	0	45	0.0	-86.23	377.41	11.15	-75.08
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CC(CCC1=NNC2=CC=CC=C21)[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471379	0	47	0.0	-75.09	383.55	7.13	-67.96
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CC1CC([NH2+]CCC2=CN(CC(=O)[O-])N=N2)CCN1CC1=CC=CC=C1	REAL300018471391	0	53	0.0	-73.11	408.68	7.58	-65.53
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471392	0	55	0.0	-67.02	425.22	9.67	-57.35
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CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018471403	0	53	0.0	-75.97	434.31	11.17	-64.80
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CCOC1CC([NH2+]CCC2=CN(CC(=O)[O-])N=N2)C12CCCC2	REAL300018471406	0	49	0.0	-71.58	380.85	7.46	-64.12
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CN(C)C1=CC=C(N2CCC([NH2+]CCC3=CN(CC(=O)[O-])N=N3)CC2)C=C1	REAL300018471408	0	55	0.0	-74.86	418.45	7.11	-67.75
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471409	0	46	0.0	-72.05	375.24	8.95	-63.10
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CC1CC([NH2+]CCC2=CN(CC(=O)[O-])N=N2)CC(C2=CC=CC=C2)C1	REAL300018471411	0	51	0.0	-73.77	396.48	9.84	-63.93
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COC1=CC=C(N2C=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C=N2)C=C1	REAL300018471482	0	46	0.0	-79.59	387.82	6.91	-72.68
CC(CCC1=CSC=C1)[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471483	0	41	0.0	-73.53	346.45	7.46	-66.07
COCCC1=CC=C(OCC(C)[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018471484	0	52	0.0	-73.90	421.23	7.14	-66.76
CCC(CC1=CC=C(Br)C=C1)[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471485	0	44	0.0	-71.39	368.91	8.89	-62.50
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CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018471487	0	50	0.0	-72.08	421.31	9.81	-62.27
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CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471495	0	45	0.0	-64.05	388.58	9.09	-54.96
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CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471497	1	55	0.0	-72.02	421.28	8.49	-63.53
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471498	0	47	0.0	-75.43	391.21	9.35	-66.08
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CN1CCN(C2=NC=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C=N2)CC1	REAL300018471501	0	50	0.0	-80.29	402.87	4.68	-75.61
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CC1(C)CC2(CO1)CCC([NH2+]CCC1=CN(CC(=O)[O-])N=N1)CC2	REAL300018471522	0	52	0.0	-74.12	386.89	6.73	-67.39
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CC1=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=CC=C1C1CC1	REAL300018471524	0	45	0.0	-72.35	366.53	9.02	-63.33
COC1=CC=CC2=C1CCCC([NH2+]CCC1=CN(CC(=O)[O-])N=N1)C2	REAL300018471525	0	49	0.0	-75.96	378.73	7.79	-68.17
CCOC1=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=CC=N1	REAL300018471526	0	41	0.0	-78.48	348.44	4.04	-74.44
CC1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1C1CC1	REAL300018471527	0	45	0.0	-72.53	365.93	9.02	-63.51
CC1=NN(C2=CC=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C(C)=C2)C=C1	REAL300018471528	0	48	0.0	-80.28	395.17	8.72	-71.56
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CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471530	0	45	0.0	-79.09	389.86	8.71	-70.38
CC1=NN(C2=CC=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C=C2)C=C1Cl	REAL300018471531	0	45	0.0	-80.43	396.41	8.68	-71.75
O=C([O-])CN1C=C(CC[NH2+]CC2=CN=C(C3CCOCC3)O2)N=N1	REAL300018471532	0	45	0.0	-77.64	371.78	2.86	-74.78
CC1OC2=CC=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C=C2C1C	REAL300018471533	0	46	0.0	-76.32	372.89	7.50	-68.82
CC1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1OC(F)F	REAL300018471534	0	42	0.0	-74.11	358.83	6.72	-67.39
CC(C)C1=CC=C(O)C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300018471535	0	45	0.0	-73.60	367.39	5.71	-67.89
CC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)NN=C1C(F)(F)F	REAL300018471536	0	38	0.0	-83.31	337.21	4.35	-78.96
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O=C([O-])CN1C=C(CC[NH2+]CC2=CN(CC3CC3)N=N2)N=N1	REAL300018471538	0	41	0.0	-78.90	349.04	5.30	-73.60
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C3CCOC3=C2)N=N1	REAL300018471539	0	40	0.0	-74.61	335.36	6.24	-68.37
O=C([O-])CN1C=C(CC[NH2+]CC2=NC3=C(CCCC3)N2)N=N1	REAL300018471540	0	42	0.0	-75.36	342.45	5.47	-69.89
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CN1C=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C2CCOCC2)=N1	REAL300018471543	0	49	0.0	-79.83	397.29	5.55	-74.28
O=C([O-])CN1C=C(CC[NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)N=N1	REAL300018471544	0	43	0.0	-80.49	363.79	6.25	-74.24
O=C([O-])CN1C=C(CC[NH2+]C2CC(COCC3=CC=CC=C3)C2)N=N1	REAL300018471545	0	49	0.0	-74.73	402.54	8.39	-66.34
CSC1=CC=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300018471546	0	39	0.0	-73.13	339.71	7.41	-65.72
CC(C)(C)N1N=CC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471547	0	44	0.0	-75.03	346.43	6.03	-69.00
O=C([O-])CN1C=C(CC[NH2+]C2CCC3=CC(Cl)=CC=C3C2)N=N1	REAL300018471548	0	42	0.0	-78.27	353.52	8.45	-69.82
CC(C)C1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)N(C)N=C1	REAL300018471549	0	44	0.0	-78.15	361.66	5.89	-72.26
O=C([O-])CN1C=C(CC[NH2+]C2CC(C3=CC=CC=C3Br)C2)N=N1	REAL300018471550	0	42	0.0	-72.28	359.98	8.68	-63.60
CCC([NH2+]CCC1=CN(CC(=O)[O-])N=N1)C(C)CC1=CC=CC=C1	REAL300018471551	0	50	0.0	-72.41	384.67	9.50	-62.91
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(CC3CC3)S2)N=N1	REAL300018471552	0	42	0.0	-71.25	364.70	8.65	-62.60
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(OC3CC3)C=C2)N=N1	REAL300018471553	0	43	0.0	-75.76	360.04	7.37	-68.39
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)N=N1	REAL300018471554	0	39	0.0	-73.75	351.05	6.21	-67.54
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)N=N1	REAL300018471555	0	41	0.0	-76.82	370.70	8.28	-68.54
CC1=NC=CN1C1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C)=C1	REAL300018471556	0	48	0.0	-81.71	394.07	9.48	-72.23
CC1=C(C)N(C2=CC=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C=C2)C=N1	REAL300018471557	0	48	0.0	-82.95	400.34	10.14	-72.81
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)N=N1	REAL300018471558	0	49	0.0	-73.14	394.46	10.43	-62.71
CC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)OC2=CC=C(F)C=C12	REAL300018471560	0	41	0.0	-77.63	354.19	7.62	-70.01
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471561	0	41	0.0	-68.33	353.62	8.53	-59.80
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471562	0	45	0.0	-81.11	379.57	7.52	-73.59
CC(C)(C)C1=CN=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300018471563	0	46	0.0	-76.37	370.90	6.90	-69.47
O=C([O-])CN1C=C(CC[NH2+]CC2=CC3=C(Br)C=CC=C3S2)N=N1	REAL300018471564	0	38	0.0	-73.57	357.33	8.51	-65.06
O=C([O-])CN1C=C(CC[NH2+]CC2=NN(CC(F)(F)F)C=C2)N=N1	REAL300018471565	0	38	0.0	-76.48	341.79	5.47	-71.01
CN1C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=NC2=C1CCCC2	REAL300018471566	0	45	0.0	-73.32	362.22	7.07	-66.25
CN1C=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C(F)(F)F)=N1	REAL300018471567	0	38	0.0	-74.21	336.27	5.18	-69.03
O=C([O-])CN1C=C(CC[NH2+]CC2=CC3=CC=CC=C3C=N2)N=N1	REAL300018471568	0	40	0.0	-72.39	340.65	6.83	-65.56
COC1=NC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=CC=C1C	REAL300018471569	0	41	0.0	-74.45	346.80	3.79	-70.66
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC(C(F)F)=C2F)N=N1	REAL300018471570	0	38	0.0	-73.56	338.09	7.33	-66.23
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC3=C2COCC3)N=N1	REAL300018471571	0	43	0.0	-74.33	346.21	6.40	-67.93
CCOC1=CC=C(Cl)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471572	0	42	0.0	-69.70	366.22	7.21	-62.49
O=C([O-])CN1C=C(CC[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)N=N1	REAL300018471573	0	42	0.0	-77.15	362.38	6.32	-70.83
O=C([O-])CN1C=C(CC[NH2+]CC2=CC3=C(CCCC3)O2)N=N1	REAL300018471574	0	42	0.0	-72.42	343.78	7.23	-65.19
CCC(C)N1N=CC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471575	0	44	0.0	-77.21	360.82	6.17	-71.04
O=C([O-])CN1C=C(CC[NH2+]CC2=CN(C3CCCCC3)N=C2)N=N1	REAL300018471576	0	48	0.0	-74.36	384.16	7.45	-66.91
COC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=CC=C1C(C)(C)C	REAL300018471577	0	51	0.0	-68.41	393.17	8.14	-60.27
CN1C=C(Br)N=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471578	0	35	0.0	-79.57	321.72	5.28	-74.29
COC1=CC(C)=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=N1	REAL300018471579	0	41	0.0	-77.57	341.81	3.71	-73.86
O=C([O-])CN1C=C(CC[NH2+]CC2=NC3=CC=CC=C3S2)N=N1	REAL300018471580	0	37	0.0	-72.72	331.17	5.85	-66.87
COC1=CC=CC(C2CC([NH2+]CCC3=CN(CC(=O)[O-])N=N3)C2)=C1	REAL300018471581	0	46	0.0	-75.44	371.74	7.48	-67.96
CC1=NOC(C2CC([NH2+]CCC3=CN(CC(=O)[O-])N=N3)C2)=N1	REAL300018471582	0	40	0.0	-79.57	338.61	3.90	-75.67
O=C([O-])CN1C=C(CC[NH2+]C2CC(C3CCOCC3)C2)N=N1	REAL300018471583	0	46	0.0	-74.25	360.79	6.14	-68.11
CC1=CC(C)=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C)=C1Br	REAL300018471584	0	44	0.0	-73.14	368.95	8.55	-64.59
O=C([O-])CN1C=C(CC[NH2+]CC=CC2=CC=C3OCOC3=C2)N=N1	REAL300018471585	0	42	0.0	-80.72	356.61	6.35	-74.37
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(CC3CCC3)C=C2)N=N1	REAL300018471586	0	48	0.0	-71.71	390.61	9.92	-61.79
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018471587	0	45	0.0	-79.76	395.69	7.17	-72.59
COC1=CC=C(CC(C)[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C)=C1	REAL300018471588	0	48	0.0	-72.07	379.83	7.47	-64.60
CCC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=NN1CC	REAL300018471589	0	44	0.0	-73.44	358.86	6.32	-67.12
CC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C(F)(F)F)=CO1	REAL300018471590	0	38	0.0	-72.88	338.84	6.19	-66.69
CC(F)(F)C1=CC=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300018471591	0	41	0.0	-75.03	352.71	7.92	-67.11
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)N=N1	REAL300018471592	0	41	0.0	-78.12	362.43	7.18	-70.94
CN1C=C(C2=NNC=C2C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=N1	REAL300018471593	0	42	0.0	-77.22	360.00	4.10	-73.12
COC1=CC=C(CCC(C)[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C)=C1	REAL300018471594	0	51	0.0	-77.17	401.28	8.30	-68.87
O=C([O-])CN1C=C(CC[NH2+]C2CC3CCCCCC3C2)N=N1	REAL300018471595	0	48	0.0	-71.43	351.32	7.95	-63.48
CC1CCC([NH2+]CCC2=CN(CC(=O)[O-])N=N2)CC2=CC=CC=C21	REAL300018471596	0	48	0.0	-75.06	367.23	8.84	-66.22
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)N=N1	REAL300018471597	0	42	0.0	-74.87	365.06	8.82	-66.05
CCOC1=CC(CCC(C)[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=CC=C1O	REAL300018471598	0	52	0.0	-79.86	418.58	6.56	-73.30
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)N=N1	REAL300018471599	0	41	0.0	-76.43	357.17	9.04	-67.39
COC1=C(C)C(C)=C(OC)C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1C	REAL300018471600	0	52	0.0	-69.20	411.77	7.04	-62.16
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC=C2OC2CCCCC2)N=N1	REAL300018471601	0	52	0.0	-67.72	409.03	9.24	-58.48
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)N=N1	REAL300018471602	0	46	0.0	-77.47	404.93	9.77	-67.70
C=CCC1=CC=CC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471603	0	42	0.0	-71.74	346.63	8.27	-63.47
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC=C2COC2CCCCC2)N=N1	REAL300018471604	0	55	0.0	-74.25	429.64	9.92	-64.33
COC1=CC=CC(OC2=CC=C(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)C=C2)=C1	REAL300018471605	0	50	0.0	-81.33	417.70	8.55	-72.78
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018471606	0	50	0.0	-81.80	418.40	9.17	-72.63
COCC1=CC=CC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471607	0	42	0.0	-74.12	345.93	6.25	-67.87
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)N=N1	REAL300018471608	0	48	0.0	-78.75	408.63	11.12	-67.63
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)N=N1	REAL300018471609	0	39	0.0	-77.38	355.90	7.85	-69.53
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C3CCOCC3=C2)N=N1	REAL300018471610	0	43	0.0	-74.85	353.21	6.49	-68.36
CC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)SC2=CC(F)=CC=C12	REAL300018471611	0	41	0.0	-76.32	360.04	8.53	-67.79
O=C([O-])CN1C=C(CC[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)N=N1	REAL300018471612	0	41	0.0	-83.59	354.12	4.57	-79.02
COC1=CC=C(F)C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1OC	REAL300018471613	0	43	0.0	-68.18	364.91	5.72	-62.46
CCN1C=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C2CC2)=N1	REAL300018471614	0	45	0.0	-75.85	375.91	7.24	-68.61
COC1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1OCCO	REAL300018471615	0	47	0.0	-81.21	391.47	3.43	-77.78
CN1C=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C2=CC=NN2C)=N1	REAL300018471616	0	45	0.0	-75.16	384.08	5.33	-69.83
CC(C)(C)C1=NOC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471617	0	43	0.0	-82.36	347.09	6.16	-76.20
O=C([O-])CN1C=C(CC[NH2+]CC2=CC3=CN=CC=C3C=C2)N=N1	REAL300018471618	0	40	0.0	-80.14	340.50	6.88	-73.26
COC1=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=CC=C1OCC1CCCO1	REAL300018471619	0	54	0.0	-81.62	437.18	7.03	-74.59
CC1=CC2=CC=CC(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)=C2O1	REAL300018471620	0	41	0.0	-70.81	348.73	7.55	-63.26
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)N=N1	REAL300018471621	0	38	0.0	-81.92	333.35	7.50	-74.42
O=C([O-])CN1C=C(CC[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)N=N1	REAL300018471622	0	42	0.0	-70.01	374.40	7.17	-62.84
O=C([O-])CN1C=C(CC[NH2+]CC2=CON=C2C2CCC2)N=N1	REAL300018471623	0	41	0.0	-79.22	344.20	6.48	-72.74
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)N=N1	REAL300018471624	0	38	0.0	-75.70	343.80	7.43	-68.27
CC(C)OC1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1F	REAL300018471625	0	45	0.0	-79.06	375.01	7.32	-71.74
CC1=NN(C2CCCC2)C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1	REAL300018471626	0	48	0.0	-78.18	387.59	7.48	-70.70
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=NN2CC(F)F)N=N1	REAL300018471627	0	38	0.0	-83.14	330.41	5.19	-77.95
O=C([O-])CN1C=C(CC[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)N=N1	REAL300018471629	0	42	0.0	-78.19	364.74	7.68	-70.51
O=C([O-])CN1C=C(CC[NH2+]CC2=NN(C3CCC3)C=C2)N=N1	REAL300018471630	0	42	0.0	-71.18	347.73	6.08	-65.10
O=C([O-])CN1C=C(CC[NH2+]CC2=NN(CC(F)F)C=C2)N=N1	REAL300018471631	0	38	0.0	-74.88	336.90	5.27	-69.61
O=C([O-])CN1C=C(CC[NH2+]CC2=NN(C3CC3(F)F)C=C2)N=N1	REAL300018471632	0	39	0.0	-75.61	345.42	5.84	-69.77
O=C([O-])CN1C=C(CC[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)N=N1	REAL300018471633	0	40	0.0	-68.88	360.54	7.54	-61.34
O=C([O-])CN1C=C(CC[NH2+]CC2=NN(C3CCCC3)C=C2)N=N1	REAL300018471634	0	45	0.0	-70.87	365.29	6.76	-64.11
O=C([O-])CN1C=C(CC[NH2+]CC2=C3OC=CC3=C(F)C=C2)N=N1	REAL300018471635	0	38	0.0	-76.34	333.26	6.79	-69.55
O=C([O-])CN1C=C(CC[NH2+]CC2=C3OC=CC3=CC(Cl)=C2)N=N1	REAL300018471636	0	38	0.0	-73.15	343.57	7.23	-65.92
COC1=CC=CC(CN2CCC([NH2+]CCC3=CN(CC(=O)[O-])N=N3)CC2)=C1	REAL300018471637	0	54	0.0	-73.26	420.28	6.10	-67.16
COC1=CC=C2SC(C[NH2+]CCC3=CN(CC(=O)[O-])N=N3)=NC2=C1	REAL300018471638	0	41	0.0	-74.79	360.69	5.13	-69.66
O=C([O-])CN1C=C(CC[NH2+]CC2=CN=C3C=C(Br)C=CN23)N=N1	REAL300018471639	0	38	0.0	-81.28	347.66	7.46	-73.82
CC1=CC(Br)=CC(C)=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471640	0	41	0.0	-74.63	353.95	8.08	-66.55
CN1N=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1C1=CC=CO1	REAL300018471641	0	42	0.0	-75.19	361.12	5.72	-69.47
O=C([O-])CN1C=C(CC[NH2+]CC2=C(Cl)C=CC3=C2OCO3)N=N1	REAL300018471642	0	38	0.0	-69.21	339.58	5.46	-63.75
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C3CCCCC3)C=C2)N=N1	REAL300018471643	0	51	0.0	-71.79	401.35	10.21	-61.58
CC1=NN(C2CCC2)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471644	0	45	0.0	-75.01	367.26	6.77	-68.24
COC1=CC=CC=C1C=CC[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471645	0	43	0.0	-74.29	358.91	7.05	-67.24
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)N=N1	REAL300018471646	0	43	0.0	-80.27	368.69	6.74	-73.53
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471647	0	42	0.0	-81.75	362.81	5.65	-76.10
CC(C)(C)N1CCCC([NH2+]CCC2=CN(CC(=O)[O-])N=N2)C1	REAL300018471648	0	49	0.0	-70.76	362.72	4.90	-65.86
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)N=N1	REAL300018471649	0	48	0.0	-73.50	402.29	10.86	-62.64
O=C([O-])CN1C=C(CC[NH2+]C2CC(C3=CC=C(OC(F)(F)F)C=C3)C2)N=N1	REAL300018471650	0	46	0.0	-77.68	388.31	7.98	-69.70
O=C([O-])CN1C=C(CC[NH2+]CC2=CC(C3=CC=CC=C3)=CC=N2)N=N1	REAL300018471651	0	44	0.0	-73.85	369.10	8.00	-65.85
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471652	0	56	0.0	-71.78	428.45	8.57	-63.21
CC1=CC=C(C2CCC([NH2+]CCC3=CN(CC(=O)[O-])N=N3)CC2)C=C1	REAL300018471653	0	51	0.0	-72.54	390.60	10.16	-62.38
COC1=CC(C)=CC(OC)=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471654	0	46	0.0	-64.92	377.21	5.77	-59.15
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)N=N1	REAL300018471655	0	39	0.0	-79.90	361.53	6.74	-73.16
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)N=N1	REAL300018471656	0	45	0.0	-77.85	388.08	9.22	-68.63
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C3SC=CC3=C2)N=N1	REAL300018471657	0	38	0.0	-77.03	336.43	7.77	-69.26
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)N=N1	REAL300018471658	0	44	0.0	-78.42	368.90	8.06	-70.36
CC1=CC=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1C(F)(F)F	REAL300018471659	0	41	0.0	-76.07	344.34	8.01	-68.06
O=C([O-])CN1C=C(CC[NH2+]CC2=CC3=NNC=C3C=C2)N=N1	REAL300018471660	0	38	0.0	-76.97	325.75	5.11	-71.86
CCC(C)C1=CC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=C1	REAL300018471661	0	47	0.0	-71.75	378.16	8.99	-62.76
O=C([O-])CN1C=C(CC[NH2+]C2CCC3(C2)CCOCC3)N=N1	REAL300018471662	0	46	0.0	-74.33	349.59	5.63	-68.70
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471663	0	48	0.0	-77.01	398.97	8.92	-68.09
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=CC3=C2CCCC3)N=N1	REAL300018471664	0	45	0.0	-72.54	354.85	8.76	-63.78
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471665	0	42	0.0	-78.19	359.99	8.30	-69.89
COC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=CC(Br)=C1F	REAL300018471666	0	39	0.0	-76.55	355.81	6.46	-70.09
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)N=N1	REAL300018471667	0	41	0.0	-85.77	351.86	6.31	-79.46
CC1=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C=CC2=CC=CC=C21	REAL300018471668	0	44	0.0	-74.10	356.47	9.15	-64.95
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471669	0	53	0.0	-74.30	424.69	8.05	-66.25
O=C([O-])CN1C=C(CC[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)N=N1	REAL300018471670	0	41	0.0	-78.48	364.05	9.18	-69.30
COC1=C2C=CNC2=CC=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471671	0	43	0.0	-70.24	360.38	5.81	-64.43
O=C([O-])CN1C=C(CC[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)N=N1	REAL300018471672	0	48	0.0	-74.98	387.10	3.40	-71.58
CCCN1N=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=C1C	REAL300018471673	0	44	0.0	-75.45	364.18	6.25	-69.20
CC1=CC(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)=CN=C1N1C=CC=N1	REAL300018471674	0	44	0.0	-82.35	371.07	7.73	-74.62
O=C([O-])CN1C=C(CC[NH2+]C2CCC2CC2=CC=CC=C2)N=N1	REAL300018471675	0	45	0.0	-73.68	368.48	9.06	-64.62
CCCN1N=C(C)C=C1C[NH2+]CCC1=CN(CC(=O)[O-])N=N1	REAL300018471676	0	44	0.0	-76.59	360.64	6.25	-70.34
CN1C=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)C(C2CCC2)=N1	REAL300018471677	0	45	0.0	-76.18	370.69	6.82	-69.36
CC(C)(C)C1=NC=C(C[NH2+]CCC2=CN(CC(=O)[O-])N=N2)O1	REAL300018471678	0	43	0.0	-75.40	358.70	3.89	-71.51
CC(C)CCC[N@H+](C)CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018471679	0	48	0.0	-60.39	373.14	13.07	-47.32
CC(C)CCC[N@@H+](C)CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018471679	1	48	0.0	-60.81	372.08	12.98	-47.83
CC(C)CCC[N@H+](C)CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1	REAL300018471680	0	55	0.0	-66.94	426.28	13.83	-53.11
CC(C)CCC[N@@H+](C)CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1	REAL300018471680	1	55	0.0	-66.93	420.58	14.02	-52.91
CC(C)CCC[N@H+](C)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471681	0	48	0.0	-76.59	376.88	12.41	-64.18
CC(C)CCC[N@@H+](C)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471681	1	48	0.0	-76.61	375.81	12.33	-64.28
CC(C)CCC[N@H+](C)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471682	0	48	0.0	-76.59	376.88	12.41	-64.18
CC(C)CCC[N@@H+](C)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471682	1	48	0.0	-76.61	375.81	12.33	-64.28
CC(C)CCC[N@H+](C)CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018471683	0	48	0.0	-52.65	372.12	11.68	-40.97
CC(C)CCC[N@@H+](C)CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018471683	1	48	0.0	-52.31	372.31	11.72	-40.59
CC1=CC(C[N@@H+](C)CCCC(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300018471684	0	51	0.0	-75.98	390.48	12.27	-63.71
CC1=CC(C[N@H+](C)CCCC(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300018471684	1	51	0.0	-76.03	390.43	12.28	-63.75
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+](C)CCCC(C)C)C=C1	REAL300018471685	0	48	0.0	-72.33	366.77	10.15	-62.18
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+](C)CCCC(C)C)C=C1	REAL300018471685	1	48	0.0	-72.64	374.99	10.51	-62.13
CC(C)CCC[N@H+](C)CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018471686	0	44	0.0	-65.07	343.72	11.41	-53.66
CC(C)CCC[N@@H+](C)CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018471686	1	44	0.0	-68.83	343.45	11.28	-57.55
CC1=CC(Br)=C(OCC(=O)[O-])C(C[N@@H+](C)CCCC(C)C)=C1	REAL300018471687	0	48	0.0	-53.88	389.34	12.14	-41.74
CC1=CC(Br)=C(OCC(=O)[O-])C(C[N@H+](C)CCCC(C)C)=C1	REAL300018471687	1	48	0.0	-52.46	383.11	12.17	-40.29
CC(C)CCC[N@H+](C)CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018471688	0	41	0.0	-72.10	331.55	10.93	-61.17
CC(C)CCC[N@@H+](C)CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018471688	1	41	0.0	-72.05	331.50	10.93	-61.12
CC(C)CCC[N@H+](C)CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018471689	0	51	0.0	-68.97	392.44	12.00	-56.97
CC(C)CCC[N@@H+](C)CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018471689	1	51	0.0	-65.47	396.16	12.06	-53.41
CC(C)CCC[N@H+](C)CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018471690	0	41	0.0	-75.61	343.63	11.18	-64.43
CC(C)CCC[N@@H+](C)CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018471690	1	41	0.0	-75.00	344.02	11.18	-63.82
CC(C)CCC[N@H+](C)CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018471691	0	48	0.0	-45.66	380.60	11.91	-33.75
CC(C)CCC[N@@H+](C)CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018471691	1	48	0.0	-43.68	371.17	11.83	-31.85
CC(C)CCC[N@H+](C)CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12	REAL300018471692	0	44	0.0	-59.44	359.28	11.29	-48.15
CC(C)CCC[N@@H+](C)CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12	REAL300018471692	1	44	0.0	-59.57	364.56	11.35	-48.22
CC(C)CCC[N@H+](C)CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018471693	0	41	0.0	-62.39	327.65	10.89	-51.50
CC(C)CCC[N@@H+](C)CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018471693	1	41	0.0	-62.07	327.53	10.93	-51.14
CC(C)CCC[N@H+](C)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018471694	0	44	0.0	-65.44	354.37	11.45	-53.99
CC(C)CCC[N@@H+](C)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018471694	1	44	0.0	-65.25	354.32	11.46	-53.79
CC(C)CCC[N@H+](C)CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12	REAL300018471695	0	44	0.0	-82.05	359.37	11.52	-70.53
CC(C)CCC[N@@H+](C)CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12	REAL300018471695	1	44	0.0	-81.68	364.60	11.59	-70.09
CC(C)CCC[N@H+](C)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018471696	0	41	0.0	-64.55	336.61	11.04	-53.51
CC(C)CCC[N@@H+](C)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018471696	1	41	0.0	-64.52	336.56	11.05	-53.47
C[N@H+](CCN1C=CN=C1)CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018471697	0	43	0.0	-72.09	351.88	12.74	-59.35
C[N@@H+](CCN1C=CN=C1)CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018471697	1	43	0.0	-71.77	352.98	12.80	-58.97
C[N@H+](CCN1C=CN=C1)CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1	REAL300018471698	0	50	0.0	-78.42	400.40	13.75	-64.67
C[N@@H+](CCN1C=CN=C1)CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1	REAL300018471698	1	50	0.0	-78.16	406.11	13.56	-64.60
C[N@H+](CCN1C=CN=C1)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471699	0	43	0.0	-88.75	355.61	12.07	-76.68
C[N@@H+](CCN1C=CN=C1)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471699	1	43	0.0	-88.76	356.73	12.16	-76.60
C[N@H+](CCN1C=CN=C1)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471700	0	43	0.0	-88.75	355.61	12.07	-76.68
C[N@@H+](CCN1C=CN=C1)CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018471700	1	43	0.0	-88.76	356.73	12.16	-76.60
C[N@H+](CCN1C=CN=C1)CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018471701	0	43	0.0	-60.47	352.07	11.44	-49.03
C[N@@H+](CCN1C=CN=C1)CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018471701	1	43	0.0	-61.05	351.97	11.42	-49.63
CC1=CC(C[N@H+](C)CCN2C=CN=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018471702	0	46	0.0	-88.25	370.25	12.01	-76.24
CC1=CC(C[N@@H+](C)CCN2C=CN=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018471702	1	46	0.0	-88.16	370.31	12.02	-76.14
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+](C)CCN1C=CN=C1	REAL300018471703	0	45	0.0	-78.91	353.77	9.65	-69.26
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+](C)CCN1C=CN=C1	REAL300018471703	1	45	0.0	-78.84	353.75	9.65	-69.19
CC(OC1=CC=C(C[N@H+](C)CCN2C=CN=C2)C=C1)C(=O)[O-]	REAL300018471704	0	43	0.0	-84.20	344.03	11.05	-73.15
CC(OC1=CC=C(C[N@@H+](C)CCN2C=CN=C2)C=C1)C(=O)[O-]	REAL300018471704	1	43	0.0	-85.37	344.09	11.05	-74.32
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COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+](C)CCN2C=CN=C2)C=C1	REAL300018471705	1	43	0.0	-83.15	354.80	10.22	-72.93
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C[N@@H+](CCCN1CCOCC1)CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018471796	1	48	0.0	-78.93	366.25	6.52	-72.41
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CN(CCC[NH+]1CCOCC1)CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018471798	1	52	0.0	-70.05	391.07	6.53	-63.52
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C[N@@H+](CCCN1CCOCC1)CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018471799	1	52	0.0	-78.38	382.16	6.48	-71.90
CN(CCC[NH+]1CCOCC1)CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018471799	1	52	0.0	-75.55	382.84	6.40	-69.15
C[N@H+](CCCN1CCOCC1)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018471800	0	48	0.0	-69.04	382.09	7.88	-61.16
C[N@@H+](CCCN1CCOCC1)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018471800	1	48	0.0	-69.00	382.15	7.87	-61.13
C[N@H+](CCCN1CCOCC1)CC1=CC(C(=O)[O-])=CC=C1O	REAL300018471801	0	46	0.0	-67.76	352.28	4.32	-63.44
C[N@@H+](CCCN1CCOCC1)CC1=CC(C(=O)[O-])=CC=C1O	REAL300018471801	1	46	0.0	-67.77	352.14	4.30	-63.47
C[N@H+](CCCN1CCOCC1)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018471802	0	45	0.0	-68.35	364.34	7.48	-60.87
C[N@@H+](CCCN1CCOCC1)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018471802	1	45	0.0	-68.17	364.39	7.47	-60.70
C[N@@H+](CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)CC1CCSCC1	REAL300018471803	0	47	0.0	-67.42	370.27	13.23	-54.19
C[N@H+](CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)CC1CCSCC1	REAL300018471803	1	47	0.0	-63.73	371.26	13.27	-50.46
C[N@@H+](CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1)CC1CCSCC1	REAL300018471804	0	54	0.0	-70.05	418.36	14.25	-55.80
C[N@H+](CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1)CC1CCSCC1	REAL300018471804	1	54	0.0	-74.51	424.40	14.05	-60.46
C[N@@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1CCSCC1	REAL300018471805	0	47	0.0	-82.76	374.02	12.57	-70.19
C[N@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1CCSCC1	REAL300018471805	1	47	0.0	-82.04	375.02	12.65	-69.39
C[N@@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1CCSCC1	REAL300018471806	0	47	0.0	-82.76	374.02	12.57	-70.19
C[N@H+](CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)CC1CCSCC1	REAL300018471806	1	47	0.0	-82.04	375.02	12.65	-69.39
C[N@@H+](CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])CC1CCSCC1	REAL300018471807	0	47	0.0	-56.71	363.69	11.72	-44.99
C[N@H+](CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])CC1CCSCC1	REAL300018471807	1	47	0.0	-57.93	370.98	11.86	-46.07
CC1=CC(C[N@H+](C)CC2CCSCC2)=CC(C)=C1OCC(=O)[O-]	REAL300018471808	0	50	0.0	-81.17	388.62	12.50	-68.67
CC1=CC(C[N@@H+](C)CC2CCSCC2)=CC(C)=C1OCC(=O)[O-]	REAL300018471808	1	50	0.0	-81.83	388.60	12.49	-69.34
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+](C)CC1CCSCC1	REAL300018471809	0	49	0.0	-71.46	372.75	10.18	-61.28
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+](C)CC1CCSCC1	REAL300018471809	1	49	0.0	-72.56	373.40	10.19	-62.37
C[N@@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1CCSCC1	REAL300018471810	0	44	0.0	-77.24	344.53	10.94	-66.30
C[N@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1CCSCC1	REAL300018471810	1	44	0.0	-77.85	344.50	10.94	-66.91
C[N@@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1CCSCC1	REAL300018471811	0	44	0.0	-77.24	344.53	10.94	-66.30
C[N@H+](CC1=CC=C(OCC(=O)[O-])C=C1)CC1CCSCC1	REAL300018471811	1	44	0.0	-77.85	344.50	10.94	-66.91
CC(OC1=CC=C(C[N@H+](C)CC2CCSCC2)C=C1)C(=O)[O-]	REAL300018471812	0	47	0.0	-78.47	362.81	11.57	-66.90
CC(OC1=CC=C(C[N@@H+](C)CC2CCSCC2)C=C1)C(=O)[O-]	REAL300018471812	1	47	0.0	-78.16	362.33	11.54	-66.62
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+](C)CC2CCSCC2)C=C1	REAL300018471813	0	47	0.0	-76.39	364.52	10.36	-66.03
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+](C)CC2CCSCC2)C=C1	REAL300018471813	1	47	0.0	-78.85	373.09	10.70	-68.15
C[N@@H+](CC1=CC=C(C(=O)[O-])C(Cl)=C1)CC1CCSCC1	REAL300018471814	0	40	0.0	-78.97	325.94	11.06	-67.91
C[N@H+](CC1=CC=C(C(=O)[O-])C(Cl)=C1)CC1CCSCC1	REAL300018471814	1	40	0.0	-78.97	325.93	11.06	-67.91
C[N@@H+](CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F)CC1CCSCC1	REAL300018471815	0	43	0.0	-73.63	341.22	11.48	-62.15
C[N@H+](CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F)CC1CCSCC1	REAL300018471815	1	43	0.0	-70.15	340.84	11.58	-58.57
C[N@@H+](CC1=CC=C(C(=O)[O-])C(Br)=C1)CC1CCSCC1	REAL300018471816	0	40	0.0	-77.66	329.67	11.15	-66.51
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C[N@H+](CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)CC1CCSCC1	REAL300018471817	1	50	0.0	-73.74	390.71	12.25	-61.49
C[N@@H+](CC1=CC2=C(S1)SC(C(=O)[O-])=C2)CC1CCSCC1	REAL300018471818	0	40	0.0	-79.79	342.19	11.37	-68.42
C[N@H+](CC1=CC2=C(S1)SC(C(=O)[O-])=C2)CC1CCSCC1	REAL300018471818	1	40	0.0	-81.40	341.70	11.39	-70.01
C[N@@H+](CC1=CN2N=CC(C(=O)[O-])=C2N=C1)CC1CCSCC1	REAL300018471819	0	42	0.0	-96.84	336.94	9.61	-87.23
C[N@H+](CC1=CN2N=CC(C(=O)[O-])=C2N=C1)CC1CCSCC1	REAL300018471819	1	42	0.0	-96.34	335.46	9.50	-86.84
CC(OC1=CC=C(Cl)C=C1C[N@H+](C)CC1CCSCC1)C(=O)[O-]	REAL300018471820	0	47	0.0	-47.19	370.63	12.13	-35.06
CC(OC1=CC=C(Cl)C=C1C[N@@H+](C)CC1CCSCC1)C(=O)[O-]	REAL300018471820	1	47	0.0	-51.88	370.46	11.85	-40.03
C[N@@H+](CC1=C(F)C=C(C(=O)[O-])C=C1F)CC1CCSCC1	REAL300018471821	0	40	0.0	-63.56	321.55	10.64	-52.92
C[N@H+](CC1=C(F)C=C(C(=O)[O-])C=C1F)CC1CCSCC1	REAL300018471821	1	40	0.0	-64.07	321.93	10.64	-53.43
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C[N@@H+](CC1=CC=CN2C(C(=O)[O-])=CN=C12)CC1CCSCC1	REAL300018471824	0	43	0.0	-81.32	339.81	10.41	-70.91
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C[N@@H+](CC1=CC=CC(C(=O)[O-])=C1Br)CC1CCSCC1	REAL300018471825	0	40	0.0	-67.16	319.61	10.82	-56.34
C[N@H+](CC1=CC=CC(C(=O)[O-])=C1Br)CC1CCSCC1	REAL300018471825	1	40	0.0	-68.84	320.59	10.92	-57.92
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C[N@@H+](CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)CC1CCSCC1	REAL300018471827	0	47	0.0	-80.87	362.10	10.55	-70.32
C[N@H+](CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)CC1CCSCC1	REAL300018471827	1	47	0.0	-80.06	354.88	10.35	-69.71
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C[N@H+](CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)CC1CCSCC1	REAL300018471828	1	43	0.0	-71.38	352.57	11.66	-59.72
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C[N@H+](CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12)CC1CCSCC1	REAL300018471829	1	43	0.0	-86.74	357.20	11.70	-75.04
C[N@@H+](CC1=CC(Br)=CC(C(=O)[O-])=C1)CC1CCSCC1	REAL300018471830	0	40	0.0	-68.77	334.69	11.27	-57.50
C[N@H+](CC1=CC(Br)=CC(C(=O)[O-])=C1)CC1CCSCC1	REAL300018471830	1	40	0.0	-67.39	334.81	11.26	-56.13
C[C@H]([NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)C1=CC=C(F)C=C1	REAL300018471831	0	43	0.0	-66.29	357.95	12.01	-54.28
C[C@H]([NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1=CC=C(F)C=C1	REAL300018471832	0	43	0.0	-86.13	361.69	11.37	-74.76
C[C@H]([NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1=CC=C(F)C=C1	REAL300018471833	0	43	0.0	-86.13	361.69	11.37	-74.76
CC1=CC(C[NH2+][C@@H](C)C2=CC=C(F)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018471834	0	46	0.0	-85.95	374.64	11.23	-74.72
C[C@H](NC1CC[NH+](CCCC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300018471835	1	47	0.0	-57.72	361.06	9.35	-48.37
C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)C1=CC=C(F)C=C1	REAL300018471835	1	47	0.0	-73.21	357.04	8.07	-65.14
C[C@H]([NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018471836	0	40	0.0	-81.82	332.82	9.80	-72.02
C[C@H]([NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(F)C=C1	REAL300018471837	0	40	0.0	-81.82	332.82	9.80	-72.02
CC(OC1=CC=C(C[NH2+][C@@H](C)C2=CC=C(F)C=C2)C=C1)C(=O)[O-]	REAL300018471838	0	43	0.0	-82.91	350.70	10.40	-72.51
C[C@H]([NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018471839	0	42	0.0	-63.87	324.21	9.87	-54.00
C[C@H]([NH2+]C1CCC(C(F)(F)C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018471840	0	39	0.0	-66.61	312.89	9.18	-57.43
C[C@H]([NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1)C1=CC=C(F)C=C1	REAL300018471841	0	36	0.0	-83.06	314.29	9.90	-73.16
C[C@H]([NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1)C1=CC=C(F)C=C1	REAL300018471842	0	36	0.0	-81.67	318.02	9.99	-71.68
C[C@H]([NH2+]C1CCCC(CCCC(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018471843	0	48	0.0	-75.17	361.91	11.07	-64.10
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C[C@H]([NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2)C1=CC=C(F)C=C1	REAL300018471845	0	36	0.0	-84.70	330.02	10.19	-74.51
C[C@H]([NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1)C1=CC=C(F)C=C1	REAL300018471846	0	38	0.0	-102.34	324.57	8.46	-93.88
C[C@H]([NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12)C1=CC=C(F)C=C1	REAL300018471847	0	39	0.0	-66.31	328.62	9.92	-56.39
C[C@H]([NH2+]CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12)C1=CC=C(F)C=C1	REAL300018471848	0	39	0.0	-67.73	349.93	10.48	-57.25
C[C@H]([NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12)C1=CC=C(F)C=C1	REAL300018471849	0	39	0.0	-83.15	327.45	9.22	-73.93
C[C@H]([NH2+]CC1=CC=CC(C(=O)[O-])=C1Br)C1=CC=C(F)C=C1	REAL300018471850	0	36	0.0	-69.14	312.98	9.92	-59.22
C[C@H]([NH2+]CC1=NN([C@H]2C[C@H](C(=O)[O-])C2)C=C1)C1=CC=C(F)C=C1	REAL300018471851	1	43	0.0	-72.58	348.71	9.08	-63.50
C[C@H]([NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)C1=CC=C(F)C=C1	REAL300018471852	0	43	0.0	-84.34	349.59	9.42	-74.92
C[C@H]([NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)C1=CC=C(F)C=C1	REAL300018471853	0	39	0.0	-74.12	340.46	10.50	-63.62
C[C@H]([NH2+]CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12)C1=CC=C(F)C=C1	REAL300018471854	0	39	0.0	-91.11	350.00	10.68	-80.43
C[C@H]([NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1)C1=CC=C(F)C=C1	REAL300018471855	0	43	0.0	-56.18	364.04	11.62	-44.56
C[C@H]([NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1)C1=CC=C(F)C=C1	REAL300018471856	0	36	0.0	-72.94	323.05	10.12	-62.82
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CCCC2=CSC=C2)O1	REAL300018471857	0	43	0.0	-66.82	370.42	11.82	-55.00
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CCCC2=CSC=C2)C=C1	REAL300018471858	0	50	0.0	-72.66	424.18	12.67	-59.99
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCCC3=CSC=C3)O2)C=C1	REAL300018471859	0	43	0.0	-84.55	374.19	11.16	-73.39
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCCC3=CSC=C3)O2)C=C1	REAL300018471860	0	43	0.0	-84.55	374.19	11.16	-73.39
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCCC1=CSC=C1	REAL300018471861	0	43	0.0	-56.66	369.05	10.54	-46.12
CC1=CC(C[NH2+]CCCC2=CSC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018471862	0	46	0.0	-84.41	389.41	11.13	-73.28
O=C([O-])CCCN1CCC([NH2+]CCCC2=CSC=C2)CC1	REAL300018471863	1	47	0.0	-71.22	368.41	7.70	-63.52
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCCC1=CSC=C1	REAL300018471864	0	45	0.0	-74.71	378.61	9.04	-65.67
O=C([O-])COC1=CC=C(C[NH2+]CCCC2=CSC=C2)C=C1	REAL300018471865	0	40	0.0	-80.46	345.32	9.59	-70.87
O=C([O-])COC1=CC=C(C[NH2+]CCCC2=CSC=C2)C=C1	REAL300018471866	0	40	0.0	-80.46	345.32	9.59	-70.87
CC(OC1=CC=C(C[NH2+]CCCC2=CSC=C2)C=C1)C(=O)[O-]	REAL300018471867	0	43	0.0	-81.52	363.19	10.18	-71.34
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCCC2=CSC=C2)C=C1	REAL300018471868	0	43	0.0	-79.68	372.84	9.31	-70.37
O=C([O-])C(F)(F)C1CCCC([NH2+]CCCC2=CSC=C2)C1	REAL300018471869	0	42	0.0	-68.35	343.21	9.48	-58.87
O=C([O-])C(F)(F)C1CCC([NH2+]CCCC2=CSC=C2)C1	REAL300018471870	0	39	0.0	-67.23	325.08	8.99	-58.24
O=C([O-])C1=CC=C(C[NH2+]CCCC2=CSC=C2)C=C1Cl	REAL300018471871	0	36	0.0	-82.16	326.77	9.70	-72.46
O=C([O-])C1=CC=C(C[NH2+]CCCC2=CSC=C2)C(C(F)(F)F)=C1	REAL300018471872	0	39	0.0	-78.33	342.68	10.35	-67.98
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CCCC2=CSC=C2)=C1	REAL300018471873	0	43	0.0	-58.55	387.22	10.95	-47.60
O=C([O-])C1=CC=C(C[NH2+]CCCC2=CSC=C2)C=C1Br	REAL300018471874	0	36	0.0	-80.81	330.51	9.79	-71.02
O=C([O-])CCCC1CCCC([NH2+]CCCC2=CSC=C2)C1	REAL300018471875	0	48	0.0	-70.68	367.92	11.06	-59.62
O=C([O-])CN1C=C(C[NH2+]CCCC2=CSC=C2)C(C2=CC=CC=C2)=N1	REAL300018471876	0	46	0.0	-72.76	393.54	10.88	-61.88
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CCCC2=CSC=C2)C1	REAL300018471877	0	43	0.0	-56.80	350.95	10.70	-46.10
O=C([O-])C1=CC2=C(SC(C[NH2+]CCCC3=CSC=C3)=C2)S1	REAL300018471878	0	36	0.0	-83.60	342.50	10.00	-73.60
O=C([O-])C1=C2N=CC(C[NH2+]CCCC3=CSC=C3)=CN2N=C1	REAL300018471879	0	38	0.0	-101.06	337.06	8.26	-92.80
CC(OC1=CC=C(Cl)C=C1C[NH2+]CCCC1=CSC=C1)C(=O)[O-]	REAL300018471880	0	43	0.0	-53.64	378.38	10.72	-42.92
O=C([O-])C1=CC(F)=C(C[NH2+]CCCC2=CSC=C2)C(F)=C1	REAL300018471881	0	36	0.0	-66.87	324.82	9.35	-57.52
O=C([O-])C1=CN2C(C[NH2+]CCCC3=CSC=C3)=CN=C2C=C1	REAL300018471882	0	39	0.0	-65.89	341.11	9.73	-56.16
O=C([O-])C1=CN2C(C[NH2+]CCCC3=CSC=C3)=CN=C2C(Br)=C1	REAL300018471883	0	39	0.0	-67.29	362.41	10.29	-57.00
O=C([O-])C1=CN=C2C(C[NH2+]CCCC3=CSC=C3)=CC=CN12	REAL300018471884	0	39	0.0	-82.78	339.94	9.02	-73.76
O=C([O-])C1=CC=CC(C[NH2+]CCCC2=CSC=C2)=C1Br	REAL300018471885	0	36	0.0	-68.62	325.42	9.73	-58.89
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CCCC3=CSC=C3)=N2)C1	REAL300018471886	0	43	0.0	-70.70	360.84	8.90	-61.80
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CCCC2=CSC=C2)C1	REAL300018471887	0	43	0.0	-82.71	361.39	9.22	-73.49
O=C([O-])C1=CC(C[NH2+]CCCC2=CSC=C2)=CC(C(F)(F)F)=C1	REAL300018471888	0	39	0.0	-73.55	352.96	10.28	-63.27
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]CCCC3=CSC=C3)=CN=C12	REAL300018471889	0	39	0.0	-90.65	362.49	10.50	-80.15
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]CCCC2=CSC=C2)C1	REAL300018471890	0	43	0.0	-42.66	371.90	11.66	-31.00
O=C([O-])C1=CC(Br)=CC(C[NH2+]CCCC2=CSC=C2)=C1	REAL300018471891	0	36	0.0	-72.25	335.55	9.91	-62.34
CC1=CC(C[N@@H+](C)CC2=CN=CN2C)=CC(C)=C1OCC(=O)[O-]	REAL300018471897	1	46	0.0	-84.35	368.61	11.49	-72.86
CC1=CC(C[N@H+](C)CC2=CN=CN2C)=CC(C)=C1OCC(=O)[O-]	REAL300018471897	1	46	0.0	-85.24	360.28	11.39	-73.85
CC(OC1=CC=C(C[N@H+](C)CC2=CN=CN2C)C=C1)C(=O)[O-]	REAL300018471899	1	43	0.0	-82.11	336.42	10.52	-71.59
CC(OC1=CC=C(C[N@@H+](C)CC2=CN=CN2C)C=C1)C(=O)[O-]	REAL300018471899	1	43	0.0	-81.13	342.39	10.53	-70.60
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+](C)CC2=CN=CN2C)C=C1	REAL300018471900	1	43	0.0	-77.54	338.98	9.35	-68.19
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+](C)CC2=CN=CN2C)C=C1	REAL300018471900	1	43	0.0	-77.15	353.65	9.72	-67.43
CN1C=NC=C1C[N@H+](C)CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018471901	1	39	0.0	-70.97	321.63	10.60	-60.37
CN1C=NC=C1C[N@@H+](C)CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018471901	1	39	0.0	-74.78	315.00	10.45	-64.33
CN1C=NC=C1C[N@H+](C)CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018471903	1	36	0.0	-80.38	310.24	10.18	-70.20
CN1C=NC=C1C[N@@H+](C)CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018471903	1	36	0.0	-81.05	303.70	10.15	-70.90
CN1C=NC=C1C[N@H+](C)CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018471904	1	46	0.0	-74.08	370.38	11.19	-62.89
CN1C=NC=C1C[N@@H+](C)CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018471904	1	46	0.0	-74.09	367.89	11.22	-62.87
CN1C=NC=C1C[N@H+](C)CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018471905	1	36	0.0	-83.27	322.28	10.41	-72.86
CN1C=NC=C1C[N@@H+](C)CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018471905	1	36	0.0	-83.73	316.20	10.38	-73.35
CN1C=NC=C1C[N@H+](C)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018471912	1	39	0.0	-73.65	332.72	10.67	-62.98
CN1C=NC=C1C[N@@H+](C)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018471912	1	39	0.0	-75.53	326.17	10.64	-64.89
CN1C=NC=C1C[N@H+](C)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018471914	1	36	0.0	-72.62	315.30	10.30	-62.32
CN1C=NC=C1C[N@@H+](C)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018471914	1	36	0.0	-70.94	308.77	10.26	-60.68
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=C1	REAL300018471915	0	48	0.0	-83.35	386.36	11.70	-71.65
CC1=C(C(=O)[O-])C=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)O1	REAL300018471916	0	48	0.0	-73.88	387.45	10.67	-63.21
O=C([O-])C1=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=CO1	REAL300018471917	0	45	0.0	-51.64	364.12	9.96	-41.68
O=C([O-])CN1CCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)CC1	REAL300018471918	0	53	0.0	-68.57	398.81	8.93	-59.64
O=C([O-])C1=COC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471919	0	45	0.0	-74.12	369.46	9.94	-64.18
O=C([O-])C1CCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)CC1	REAL300018471920	0	51	0.0	-68.60	385.58	11.07	-57.53
O=C([O-])CN1C=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)N=N1	REAL300018471921	0	47	0.0	-73.16	383.13	8.52	-64.64
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)O1	REAL300018471922	0	45	0.0	-72.57	369.20	10.19	-62.38
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)O1	REAL300018471923	0	45	0.0	-72.57	369.20	10.19	-62.38
CC(C)(CC[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1)C(=O)[O-]	REAL300018471924	0	50	0.0	-65.77	381.92	10.47	-55.30
O=C([O-])C1CCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)CC1	REAL300018471925	0	51	0.0	-68.60	385.58	11.07	-57.53
O=C([O-])C1=CC=CC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471926	0	48	0.0	-77.51	386.39	11.69	-65.82
O=C([O-])C1=NNC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471927	0	45	0.0	-83.32	367.80	8.13	-75.19
O=C([O-])CCCN1CCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)CC1	REAL300018471928	1	59	0.0	-71.46	441.64	10.25	-61.21
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300018471929	0	57	0.0	-74.95	449.66	11.39	-63.56
O=C([O-])COC1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=C1	REAL300018471930	0	52	0.0	-80.90	417.42	11.97	-68.93
O=C([O-])COC1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=C1	REAL300018471931	0	52	0.0	-80.90	417.42	11.97	-68.93
O=C([O-])C1=CC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=CS1	REAL300018471932	0	45	0.0	-75.36	376.90	10.75	-64.61
O=C([O-])CC1CCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)CC1	REAL300018471933	0	54	0.0	-67.49	402.65	11.69	-55.80
O=C([O-])C1=NOC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471934	0	44	0.0	-80.54	363.61	9.24	-71.30
O=C([O-])C1=CC=CC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=N1	REAL300018471935	0	47	0.0	-71.33	382.23	9.87	-61.46
O=C([O-])C1=NOC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471936	0	44	0.0	-80.54	363.61	9.24	-71.30
CC([NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1)C1CC1C(=O)[O-]	REAL300018471937	0	48	0.0	-64.24	370.37	10.63	-53.61
O=C([O-])CC1CC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471938	0	48	0.0	-60.58	373.25	10.65	-49.93
CC(OC1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=C1)C(=O)[O-]	REAL300018471939	0	55	0.0	-81.66	435.29	12.57	-69.09
CC1CC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)CCC1C(=O)[O-]	REAL300018471940	0	54	0.0	-70.25	395.69	11.32	-58.93
O=C([O-])C=CC1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)O1	REAL300018471941	0	49	0.0	-82.45	403.70	9.78	-72.67
O=C([O-])C(F)(F)C1CCCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471942	0	54	0.0	-67.34	415.31	11.86	-55.48
O=C([O-])C(F)(F)C1CCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471943	0	51	0.0	-65.89	399.18	11.38	-54.51
CC1=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=C(C(=O)[O-])O1	REAL300018471944	0	48	0.0	-78.42	388.16	10.85	-67.57
CC1=C(C(=O)[O-])OC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471945	0	48	0.0	-72.78	387.17	10.78	-62.00
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=C1Cl	REAL300018471946	0	48	0.0	-82.41	398.94	12.08	-70.33
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300018471947	0	56	0.0	-61.74	404.63	12.00	-49.74
CC1C(CC(=O)[O-])CCC1[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300018471948	0	54	0.0	-68.53	397.01	11.94	-56.59
CC1(C(=O)[O-])CC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471949	0	48	0.0	-63.34	373.24	10.44	-52.90
CN1C=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C(C(=O)[O-])=N1	REAL300018471950	0	48	0.0	-60.71	386.34	9.52	-51.19
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)O1	REAL300018471951	0	51	0.0	-74.28	408.93	11.45	-62.83
O=C([O-])CCCC1CCCC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471952	0	60	0.0	-72.73	446.47	13.23	-59.50
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300018471953	0	59	0.0	-72.09	438.29	12.62	-59.47
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)N=C1	REAL300018471954	0	47	0.0	-73.66	381.53	9.86	-63.80
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471955	0	55	0.0	-62.71	425.68	13.13	-49.58
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300018471956	0	48	0.0	-85.09	388.22	9.35	-75.74
O=C([O-])CCC1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)O1	REAL300018471957	0	51	0.0	-72.20	411.19	11.58	-60.62
O=C([O-])C1=CC(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=CC=C1F	REAL300018471958	0	48	0.0	-79.30	390.91	11.72	-67.58
O=C([O-])CCC1CC([NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471959	0	51	0.0	-66.92	396.18	11.50	-55.42
O=C([O-])C1=C2N=CC(C[NH2+]CC(CC3=CC=CC=C3)C3=CC=CC=N3)=CN2N=C1	REAL300018471960	0	50	0.0	-101.57	409.19	10.64	-90.93
O=C([O-])C1=CC=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C=N1	REAL300018471961	0	47	0.0	-85.85	382.10	9.90	-75.95
O=C([O-])C1=CC(F)=C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C(F)=C1	REAL300018471962	0	48	0.0	-67.44	396.99	11.74	-55.70
O=C([O-])C1=CN2C(C[NH2+]CC(CC3=CC=CC=C3)C3=CC=CC=N3)=CN=C2C=C1	REAL300018471963	0	51	0.0	-64.85	413.24	12.11	-52.74
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC(CC1=CC=CC=C1)C1=CC=CC=N1	REAL300018471964	0	50	0.0	-85.59	397.32	10.52	-75.07
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471965	0	51	0.0	-69.81	389.50	11.37	-58.44
O=C([O-])C1=CN=C2C(C[NH2+]CC(CC3=CC=CC=C3)C3=CC=CC=N3)=CC=CN12	REAL300018471966	0	51	0.0	-80.82	412.07	11.40	-69.42
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC(CC3=CC=CC=C3)C3=CC=CC=N3)=N2)C1	REAL300018471967	0	55	0.0	-73.14	432.94	11.28	-61.86
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)C1	REAL300018471968	0	55	0.0	-83.13	433.49	11.60	-71.53
O=C([O-])C1=CC=C(O)C(C[NH2+]CC(CC2=CC=CC=C2)C2=CC=CC=N2)=C1	REAL300018471969	0	49	0.0	-72.86	393.97	9.09	-63.77
COC(C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)C1CCCOC1	REAL300018471970	0	51	0.0	-67.48	396.72	9.30	-58.18
COC(C[NH2+]C1CCN(CC(=O)[O-])CC1)C1CCCOC1	REAL300018471971	0	49	0.0	-67.68	355.23	3.72	-63.96
COC(C[NH2+]CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1)C1CCCOC1	REAL300018471972	0	58	0.0	-70.87	450.42	10.15	-60.72
COC(C[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1CCCOC1	REAL300018471973	0	51	0.0	-84.29	400.50	8.64	-75.65
COC(C[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1)C1CCCOC1	REAL300018471974	0	51	0.0	-84.29	400.50	8.64	-75.65
COC(C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])C1CCCOC1	REAL300018471975	0	51	0.0	-58.01	395.35	8.02	-49.99
COC(C[NH2+]CC1=CC(C)=C(OCC(=O)[O-])C(C)=C1)C1CCCOC1	REAL300018471976	0	54	0.0	-84.14	415.74	8.19	-75.95
COC(C[NH2+]C1CCN(CCCC(=O)[O-])CC1)C1CCCOC1	REAL300018471977	1	55	0.0	-72.26	399.47	5.01	-67.25
COC(C[NH2+]CC1=C(C)N(CCC(=O)[O-])N=C1C)C1CCCOC1	REAL300018471978	0	53	0.0	-72.73	403.90	6.49	-66.24
COC(C[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1CCCOC1	REAL300018471979	0	48	0.0	-78.77	375.66	6.91	-71.86
COC(C[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1CCCOC1	REAL300018471980	0	48	0.0	-78.77	375.66	6.91	-71.86
COC(C[NH2+]CC1=CC=C(OC(C)C(=O)[O-])C=C1)C1CCCOC1	REAL300018471981	0	51	0.0	-79.85	391.27	7.39	-72.46
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC(OC)C2CCCOC2)C=C1	REAL300018471982	0	51	0.0	-76.00	399.15	6.79	-69.21
COC(C[NH2+]CC1=CC=C(C=CC(=O)[O-])O1)C1CCCOC1	REAL300018471983	0	45	0.0	-83.24	357.87	4.87	-78.37
COC(C[NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1)C1CCCOC1	REAL300018471984	0	50	0.0	-67.10	369.76	6.54	-60.56
COC(C[NH2+]C1CCC(C(F)(F)C(=O)[O-])C1)C1CCCOC1	REAL300018471985	0	47	0.0	-64.05	351.52	6.35	-57.70
COC(C[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1)C1CCCOC1	REAL300018471986	0	44	0.0	-80.23	357.11	7.02	-73.21
COC(C[NH2+]C(C)CC(C)(C)CC(=O)[O-])C1CCCOC1	REAL300018471987	0	52	0.0	-56.73	357.61	6.55	-50.18
COC(C[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F)C1CCCOC1	REAL300018471988	0	47	0.0	-76.47	369.64	7.86	-68.61
COC(C[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1)C1CCCOC1	REAL300018471989	0	44	0.0	-78.85	360.85	7.12	-71.73
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC(OC)C2CCCOC2)O1	REAL300018471990	0	47	0.0	-69.84	363.10	6.53	-63.31
COC(C[NH2+]C1CCCC(CCCC(=O)[O-])C1)C1CCCOC1	REAL300018471991	0	56	0.0	-68.76	394.28	8.13	-60.63
COC(C[NH2+]C(C)CCCC(C)(C)C(=O)[O-])C1CCCOC1	REAL300018471992	0	55	0.0	-71.81	397.81	7.56	-64.25
COC(C[NH2+]CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)C1CCCOC1	REAL300018471993	0	54	0.0	-69.63	419.83	8.34	-61.29
COC(C[NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1)C1CCCOC1	REAL300018471994	0	51	0.0	-62.21	384.61	8.06	-54.15
COC(C[NH2+]CC1=CC=C(CCC(=O)[O-])O1)C1CCCOC1	REAL300018471995	0	47	0.0	-72.26	365.37	6.67	-65.59
COC(C[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1)C1CCCOC1	REAL300018471996	0	44	0.0	-76.82	349.15	6.66	-70.16
COC(C[NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2)C1CCCOC1	REAL300018471997	0	44	0.0	-82.02	368.81	7.48	-74.54
COC(C[NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1)C1CCCOC1	REAL300018471998	0	46	0.0	-99.25	363.37	5.74	-93.51
COC(C[NH2+]CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-])C1CCCOC1	REAL300018471999	0	51	0.0	-57.19	407.84	7.98	-49.21
COC(C[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)C1CCCOC1	REAL300018472000	0	44	0.0	-64.96	355.89	6.67	-58.29
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1F	REAL300018479431	0	40	0.0	-39.25	335.08	9.70	-29.55
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479433	0	46	0.0	-36.55	351.93	9.94	-26.61
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC(C)(C)C1	REAL300018479434	0	52	0.0	-37.28	376.62	10.20	-27.08
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CNC2=CC=CC=C12	REAL300018479435	0	44	0.0	-40.46	365.54	11.07	-29.39
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479436	0	50	0.0	-41.43	395.21	11.07	-30.36
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C(Cl)=C1OC	REAL300018479437	0	45	0.0	-33.09	381.13	8.70	-24.39
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479438	1	44	0.0	-36.91	375.73	11.61	-25.30
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CNC2=CC=CC=C21	REAL300018479439	0	40	0.0	-34.37	344.31	10.51	-23.86
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479440	0	47	0.0	-36.48	376.21	9.82	-26.66
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479441	0	59	0.0	-37.04	465.77	13.13	-23.91
CC(C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12)CC1=CC=C(C(C)(C)C)C=C1	REAL300018479442	0	58	0.0	-37.84	441.32	13.35	-24.49
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CC=C1F	REAL300018479443	0	40	0.0	-37.67	335.08	9.69	-27.98
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CNC2=CC=CC=C21	REAL300018479444	0	41	0.0	-34.77	339.61	9.01	-25.76
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300018479446	0	46	0.0	-37.82	348.81	9.56	-28.26
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479447	0	49	0.0	-35.14	388.08	11.65	-23.49
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=C2)C=C1	REAL300018479448	0	50	0.0	-37.72	403.98	13.07	-24.65
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC(C)=C1	REAL300018479449	0	43	0.0	-35.24	351.18	10.31	-24.93
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1	REAL300018479450	0	41	0.0	-33.29	350.29	8.79	-24.50
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1[N+](=O)[O-]	REAL300018479451	0	43	0.0	-43.21	363.89	9.72	-33.49
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CNC2=CC=CC=C12	REAL300018479452	0	37	0.0	-36.38	340.51	9.97	-26.41
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479453	0	50	0.0	-36.11	404.44	13.07	-23.04
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CNC2=CC=CC=C12	REAL300018479454	0	41	0.0	-37.55	346.30	8.54	-29.01
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1OCC	REAL300018479455	0	51	0.0	-38.13	409.50	9.99	-28.14
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479456	0	49	0.0	-34.26	355.81	10.31	-23.95
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CNC2=CC=CC=C21	REAL300018479457	0	40	0.0	-37.79	358.94	10.37	-27.42
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CNC2=CC=CC=C21	REAL300018479458	0	37	0.0	-35.86	325.76	9.48	-26.38
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CNC2=CC=CC=C12	REAL300018479459	0	40	0.0	-43.22	347.97	8.09	-35.13
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CNC2=CC=CC=C21	REAL300018479460	0	42	0.0	-36.97	344.80	9.24	-27.73
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CNC2=CC=CC=C12	REAL300018479461	0	41	0.0	-35.77	353.04	8.75	-27.02
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479462	0	43	0.0	-44.98	368.94	6.53	-38.45
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479463	0	51	0.0	-38.68	416.58	12.05	-26.63
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479464	0	50	0.0	-38.98	394.71	10.31	-28.67
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CNC2=CC=CC=C12	REAL300018479465	0	44	0.0	-40.69	369.14	11.28	-29.41
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CNC2=CC=CC=C12	REAL300018479466	0	47	0.0	-37.17	397.37	12.86	-24.31
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=CNC2=CC=CC=C12	REAL300018479467	0	47	0.0	-37.06	397.38	12.85	-24.21
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479468	0	48	0.0	-34.42	363.91	10.02	-24.40
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300018479469	0	40	0.0	-33.28	340.51	9.66	-23.62
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CNC2=CC=CC=C21	REAL300018479471	0	42	0.0	-38.30	344.25	8.84	-29.46
O=C([O-])C([NH2+]CC1=CSC(Br)=C1)C1=CNC2=CC=CC=C12	REAL300018479472	0	34	0.0	-34.84	318.70	8.64	-26.20
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CNC2=CC=CC=C21	REAL300018479473	0	48	0.0	-37.37	382.16	8.91	-28.46
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479474	0	45	0.0	-44.71	381.95	5.70	-39.01
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CNC2=CC=CC=C21	REAL300018479475	0	41	0.0	-35.62	337.02	8.96	-26.66
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CNC2=CC=CC=C21	REAL300018479476	0	41	0.0	-38.26	339.73	9.01	-29.25
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479477	0	40	0.0	-40.61	333.66	9.39	-31.22
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CNC2=CC=CC=C12	REAL300018479478	0	40	0.0	-44.47	347.81	8.10	-36.37
CC1(C)CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=CC=C2O1	REAL300018479479	0	51	0.0	-36.01	397.64	10.78	-25.23
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479480	0	52	0.0	-37.20	382.96	11.76	-25.44
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CNC2=CC=CC=C21	REAL300018479481	0	46	0.0	-38.38	377.59	10.63	-27.75
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CNC2=CC=CC=C21	REAL300018479482	0	46	0.0	-39.25	377.78	10.64	-28.61
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=C2)CC1	REAL300018479483	1	54	0.0	-36.54	416.14	7.68	-28.86
O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479484	0	46	0.0	-39.54	387.77	7.41	-32.13
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CNC2=CC=CC=C21	REAL300018479485	0	47	0.0	-41.96	368.16	6.81	-35.15
O=C([O-])C([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=CNC2=CC=CC=C12	REAL300018479486	0	52	0.0	-37.92	415.30	9.92	-28.00
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=CNC2=CC=CC=C12	REAL300018479487	0	52	0.0	-37.00	415.12	10.00	-27.00
O=C([O-])C([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=CNC2=CC=CC=C21	REAL300018479488	0	51	0.0	-38.10	393.63	7.81	-30.29
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)C1=CNC2=CC=CC=C12	REAL300018479489	0	44	0.0	-39.05	373.61	10.27	-28.78
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1)C1=CNC2=CC=CC=C12	REAL300018479490	0	44	0.0	-38.58	383.93	10.72	-27.86
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=N1	REAL300018479491	0	46	0.0	-35.87	369.81	8.78	-27.09
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479492	0	44	0.0	-40.53	377.86	9.67	-30.86
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=CNC2=CC=CC=C12	REAL300018479494	0	44	0.0	-35.15	391.50	12.26	-22.89
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CNC2=CC=CC=C21	REAL300018479495	0	47	0.0	-39.58	375.93	8.85	-30.73
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479496	0	50	0.0	-41.94	414.40	10.53	-31.41
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CNC2=CC=CC=C21	REAL300018479497	0	50	0.0	-37.17	410.48	10.51	-26.66
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479499	0	48	0.0	-36.32	391.43	8.42	-27.90
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1Cl	REAL300018479500	0	41	0.0	-37.25	353.90	8.84	-28.41
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CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC=C1OC	REAL300018479554	0	54	0.0	-38.50	427.64	10.52	-27.98
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CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479560	0	49	0.0	-40.27	382.29	11.72	-28.55
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479563	0	49	0.0	-43.17	399.41	12.03	-31.14
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1Cl	REAL300018479564	0	45	0.0	-37.22	388.66	10.35	-26.87
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CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1F	REAL300018479569	0	45	0.0	-37.38	369.43	8.54	-28.84
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479571	1	58	0.0	-61.87	414.37	10.71	-51.16
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479572	0	52	0.0	-35.88	413.07	12.62	-23.26
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=CC=C2O1	REAL300018479573	0	48	0.0	-37.77	385.78	10.24	-27.53
CC1=NSC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479574	1	36	0.0	-36.32	314.80	7.41	-28.91
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479577	0	40	0.0	-35.50	328.46	9.21	-26.29
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CC(C(F)(F)F)=C1	REAL300018479579	0	44	0.0	-37.72	376.59	9.28	-28.44
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CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479581	0	46	0.0	-36.89	363.10	9.70	-27.19
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)N1C	REAL300018479582	1	45	0.0	-38.82	366.88	8.08	-30.74
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479584	0	50	0.0	-37.09	399.88	10.70	-26.39
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479585	0	48	0.0	-39.87	391.90	8.47	-31.40
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CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479587	0	46	0.0	-31.46	375.06	11.33	-20.13
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COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CNC3=CC=CC=C31)OCO2	REAL300018479594	0	44	0.0	-37.99	361.07	7.00	-30.99
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1OC	REAL300018479595	0	45	0.0	-33.05	377.50	8.64	-24.41
COC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)SC=C1	REAL300018479596	1	38	0.0	-33.59	328.47	7.39	-26.20
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479597	0	50	0.0	-34.94	401.32	10.71	-24.23
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CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479615	0	45	0.0	-50.75	361.97	4.80	-45.95
CC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)SC=N1	REAL300018479616	1	36	0.0	-34.93	308.89	6.68	-28.25
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1	REAL300018479617	0	41	0.0	-37.41	342.84	8.34	-29.07
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479618	0	41	0.0	-38.78	329.34	7.31	-31.47
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=N1	REAL300018479619	0	47	0.0	-38.65	379.98	8.94	-29.71
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479620	0	53	0.0	-38.91	408.34	8.91	-30.00
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C(Cl)=C1	REAL300018479621	0	40	0.0	-35.83	341.44	10.10	-25.73
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CNC2=CC=CC=C12	REAL300018479622	0	39	0.0	-45.53	347.11	9.96	-35.57
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CNC2=CC=CC=C12	REAL300018479623	0	40	0.0	-43.66	346.61	10.28	-33.38
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC=C1OC1=CC=CN=C1	REAL300018479624	0	50	0.0	-39.23	413.66	10.86	-28.37
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)S2)C=C1	REAL300018479625	1	46	0.0	-36.27	393.35	10.67	-25.60
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CNC2=CC=CC=C12	REAL300018479626	0	42	0.0	-37.14	364.72	10.05	-27.09
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CNC2=CC=CC=C12	REAL300018479627	0	42	0.0	-34.63	360.67	9.90	-24.73
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479628	0	42	0.0	-50.88	360.46	7.60	-43.28
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CNC2=CC=CC=C12	REAL300018479629	0	39	0.0	-42.08	345.61	10.02	-32.06
CCC1CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CCO1	REAL300018479633	0	44	0.0	-38.17	340.22	7.61	-30.56
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CCO1	REAL300018479634	0	47	0.0	-37.40	356.13	8.18	-29.22
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CNC2=CC=CC=C21	REAL300018479635	0	47	0.0	-34.74	369.74	11.45	-23.29
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CNC2=CC=CC=C21	REAL300018479636	0	56	0.0	-34.59	397.44	12.18	-22.41
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479637	0	51	0.0	-38.25	378.36	10.33	-27.92
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479638	0	46	0.0	-40.06	365.67	10.97	-29.09
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1C(C)(C)C	REAL300018479639	0	53	0.0	-35.09	407.12	10.90	-24.19
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479641	0	50	0.0	-34.96	388.77	10.13	-24.83
CC(C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCCC1	REAL300018479642	0	49	0.0	-36.96	362.89	10.40	-26.56
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479643	0	42	0.0	-44.10	361.16	3.93	-40.17
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CNC2=CC=CC=C12	REAL300018479644	0	44	0.0	-40.96	359.64	10.96	-30.00
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C(C)=C1	REAL300018479645	0	47	0.0	-34.30	372.60	9.76	-24.54
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479646	0	44	0.0	-36.66	357.79	9.04	-27.62
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479647	0	39	0.0	-32.61	344.93	8.16	-24.45
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CNC2=CC=CC=C12	REAL300018479648	0	47	0.0	-43.01	374.08	11.36	-31.65
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479649	1	41	0.0	-37.05	353.89	7.82	-29.23
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)S1	REAL300018479650	0	43	0.0	-33.85	363.34	10.47	-23.38
CC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=CC=C1[N+](=O)[O-]	REAL300018479652	0	42	0.0	-37.57	344.08	10.04	-27.53
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CC=C1Br	REAL300018479653	0	40	0.0	-36.28	346.54	10.14	-26.14
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CC=C1Cl	REAL300018479654	0	41	0.0	-37.74	351.97	8.77	-28.97
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CS1	REAL300018479655	1	37	0.0	-35.66	320.24	8.74	-26.92
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CNC2=CC=CC=C21	REAL300018479656	0	40	0.0	-38.84	334.26	9.30	-29.54
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CNC2=CC=CC=C12	REAL300018479658	0	36	0.0	-39.09	334.31	7.41	-31.68
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479659	0	43	0.0	-38.34	350.16	8.08	-30.26
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479661	0	43	0.0	-34.63	349.93	10.39	-24.24
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CNC2=CC=CC=C12	REAL300018479663	0	41	0.0	-40.09	345.38	10.42	-29.67
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CNC2=CC=CC=C21	REAL300018479664	0	42	0.0	-35.04	346.36	6.33	-28.71
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CNC2=CC=CC=C12	REAL300018479665	0	40	0.0	-37.31	350.48	9.91	-27.40
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=CN=C12	REAL300018479666	0	43	0.0	-40.45	356.53	10.03	-30.42
CN1C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CN=C1Cl	REAL300018479667	0	37	0.0	-39.88	324.58	7.87	-32.01
CN1C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CN=C1Br	REAL300018479668	0	37	0.0	-39.82	328.87	7.90	-31.92
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CNC2=CC=CC=C12	REAL300018479670	0	37	0.0	-38.86	327.71	6.27	-32.59
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CNC2=CC=CC=C12	REAL300018479671	0	41	0.0	-40.34	345.44	8.97	-31.37
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CNC2=CC=CC=C12	REAL300018479672	0	41	0.0	-37.91	344.74	8.93	-28.98
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479674	0	40	0.0	-35.40	332.09	9.91	-25.49
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CNC2=CC=CC=C21	REAL300018479675	0	39	0.0	-37.33	340.37	8.75	-28.58
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)N21	REAL300018479676	0	43	0.0	-37.86	344.26	9.78	-28.08
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479677	0	49	0.0	-44.33	392.15	9.71	-34.62
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479678	0	49	0.0	-36.78	378.09	10.91	-25.87
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479679	0	46	0.0	-37.22	356.59	10.13	-27.09
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1	REAL300018479680	0	40	0.0	-37.56	346.50	10.16	-27.40
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479681	0	44	0.0	-38.12	363.30	8.74	-29.38
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479682	0	49	0.0	-31.23	363.16	8.35	-22.88
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CNC2=CC=CC=C12	REAL300018479683	0	42	0.0	-40.42	354.46	9.40	-31.02
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC2=CC=CN=C12	REAL300018479684	0	45	0.0	-40.09	368.29	10.15	-29.94
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300018479685	0	49	0.0	-34.24	355.80	10.30	-23.94
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1C	REAL300018479687	0	50	0.0	-36.37	401.29	10.76	-25.61
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479689	0	47	0.0	-37.24	380.76	10.62	-26.62
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300018479690	0	46	0.0	-33.78	339.76	9.81	-23.97
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479692	0	39	0.0	-35.22	321.36	7.22	-28.00
CC1CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CCN1CC1=CC=CC=C1	REAL300018479693	0	55	0.0	-36.65	415.78	10.01	-26.64
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479694	0	40	0.0	-41.00	342.41	9.94	-31.06
O=C([O-])C([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=CNC2=CC=CC=C12	REAL300018479695	1	39	0.0	-36.82	347.66	6.98	-29.84
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CNC2=CC=CC=C21	REAL300018479696	0	44	0.0	-34.16	351.13	10.80	-23.36
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CNC2=CC=CC=C12	REAL300018479699	0	40	0.0	-37.16	355.04	10.02	-27.14
O=C([O-])C([NH2+]CC1=NC=CC2=CC=CC=C21)C1=CNC2=CC=CC=C21	REAL300018479700	1	42	0.0	-32.10	343.89	9.21	-22.89
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479701	0	55	0.0	-38.62	443.02	13.78	-24.84
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1F	REAL300018479702	0	51	0.0	-36.22	407.51	10.13	-26.09
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C(SC)C=C1OC	REAL300018479703	0	49	0.0	-36.60	398.35	9.02	-27.58
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)CC2)C=C1	REAL300018479704	0	57	0.0	-40.07	427.38	9.70	-30.37
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479705	0	48	0.0	-49.10	384.60	11.48	-37.62
CC1CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC(C2=CC=CC=C2)C1	REAL300018479706	0	53	0.0	-33.67	383.96	12.33	-21.34
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300018479708	0	46	0.0	-38.19	341.97	9.23	-28.96
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC2=CC=CC=C21	REAL300018479710	0	47	0.0	-38.19	382.85	10.59	-27.60
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479711	0	43	0.0	-38.90	354.54	7.41	-31.49
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1	REAL300018479712	0	44	0.0	-36.77	364.81	9.25	-27.52
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479713	0	47	0.0	-40.74	371.93	9.50	-31.24
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CNC2=CC=CC=C12	REAL300018479715	1	46	0.0	-55.42	344.13	8.55	-46.87
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CNC2=CC=CC=C12	REAL300018479715	1	46	0.0	-59.67	348.62	8.80	-50.87
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CNC2=CC=CC=C21	REAL300018479716	0	53	0.0	-38.03	375.71	10.83	-27.20
CC([NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12)C(C)C1=CC=CC=C1	REAL300018479717	0	46	0.0	-39.89	349.32	10.45	-29.44
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CNC2=CC=CC=C21	REAL300018479718	0	45	0.0	-43.52	360.45	10.02	-33.50
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=CC=C12	REAL300018479719	0	47	0.0	-34.42	375.78	10.41	-24.01
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479721	0	45	0.0	-40.03	359.03	9.21	-30.82
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479722	0	46	0.0	-34.51	367.27	10.88	-23.63
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CNC2=CC=CC=C12	REAL300018479724	0	48	0.0	-41.27	386.81	11.98	-29.29
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CNC2=CC=CC=C21	REAL300018479725	0	51	0.0	-40.58	367.11	8.48	-32.10
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1C	REAL300018479726	0	43	0.0	-36.44	346.91	7.15	-29.29
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CNC2=CC=CC=C21	REAL300018479727	0	40	0.0	-44.49	350.05	10.24	-34.25
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2O1)C1=CNC2=CC=CC=C21	REAL300018479728	1	39	0.0	-37.23	330.85	7.80	-29.43
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=CNC2=CC=CC=C12	REAL300018479729	0	37	0.0	-36.40	339.11	9.31	-27.09
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)NC2=CC=C1	REAL300018479730	0	44	0.0	-37.49	361.19	9.57	-27.92
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479731	0	47	0.0	-34.35	358.08	8.42	-25.93
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CNC2=CC=CC=C12	REAL300018479732	0	37	0.0	-39.05	337.05	9.06	-29.99
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C(C)=C1	REAL300018479733	0	50	0.0	-34.84	390.88	10.49	-24.35
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1OC1CC1	REAL300018479734	0	49	0.0	-40.05	398.15	9.86	-30.19
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CNC2=CC=CC=C12	REAL300018479735	0	50	0.0	-38.04	365.06	10.50	-27.54
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CNC2=CC=CC=C12	REAL300018479736	0	39	0.0	-39.80	337.65	8.08	-31.72
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CNC2=CC=CC=C21	REAL300018479737	0	47	0.0	-37.24	358.76	10.98	-26.26
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479739	0	49	0.0	-38.46	355.22	9.71	-28.75
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CNC2=CC=CC=C21	REAL300018479740	0	47	0.0	-42.96	359.62	11.03	-31.93
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C(C(F)F)=N1	REAL300018479741	0	40	0.0	-40.29	333.80	7.54	-32.75
CC([NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12)C1CCCCCC1	REAL300018479742	0	49	0.0	-35.66	348.68	10.05	-25.61
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479744	0	52	0.0	-37.87	369.05	10.24	-27.63
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CNC2=CC=CC=C21	REAL300018479745	0	45	0.0	-34.84	354.45	8.98	-25.86
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479746	0	44	0.0	-40.62	363.84	11.19	-29.43
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479747	0	46	0.0	-45.36	370.47	10.64	-34.72
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479748	0	42	0.0	-42.02	362.60	3.93	-38.09
CCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479749	1	43	0.0	-35.53	347.45	8.28	-27.25
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)NC2=C1	REAL300018479750	0	44	0.0	-37.96	361.50	9.61	-28.35
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CNC2=CC=CC=C12	REAL300018479751	0	41	0.0	-37.84	334.72	7.61	-30.23
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CNC2=CC=CC=C21	REAL300018479754	0	53	0.0	-38.16	394.85	12.17	-25.99
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300018479755	0	46	0.0	-37.44	349.23	9.65	-27.79
O=C([O-])C([NH2+]CC1=CC2=CC=CN=C2O1)C1=CNC2=CC=CC=C21	REAL300018479756	1	39	0.0	-37.32	329.57	6.45	-30.87
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=C2)=C1	REAL300018479757	0	53	0.0	-38.11	425.26	13.75	-24.36
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC=C1N1C=NC=N1	REAL300018479758	0	46	0.0	-44.52	377.29	12.44	-32.08
CC1CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479759	0	46	0.0	-38.62	338.03	9.38	-29.24
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479760	0	49	0.0	-38.00	354.94	9.94	-28.06
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479761	0	49	0.0	-37.82	347.83	9.57	-28.25
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CC1	REAL300018479762	0	55	0.0	-38.70	387.87	10.88	-27.82
CC1CC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)CCN1C	REAL300018479763	0	45	0.0	-37.12	332.94	6.13	-30.99
O=C([O-])C([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1=CNC2=CC=CC=C12	REAL300018479764	1	40	0.0	-39.51	341.34	9.55	-29.96
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479765	0	44	0.0	-42.72	371.29	9.52	-33.20
O=C([O-])C([NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2)C1=CNC2=CC=CC=C21	REAL300018479766	0	44	0.0	-38.99	370.83	7.28	-31.71
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C(Br)=C1	REAL300018479767	0	41	0.0	-36.83	351.34	8.79	-28.04
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479768	0	44	0.0	-36.15	362.11	8.68	-27.47
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479769	0	47	0.0	-39.31	401.41	11.27	-28.04
O=C([O-])C([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479771	0	48	0.0	-38.94	408.84	13.11	-25.83
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479772	0	54	0.0	-46.15	417.28	9.96	-36.19
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479773	0	43	0.0	-41.85	351.16	10.46	-31.39
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1OC	REAL300018479774	0	48	0.0	-38.12	381.86	8.80	-29.32
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CNC2=CC=CC=C21	REAL300018479775	0	44	0.0	-33.53	345.74	10.84	-22.69
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)S1	REAL300018479776	0	37	0.0	-35.02	339.51	9.48	-25.54
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CNC2=CC=CC=C12	REAL300018479777	0	40	0.0	-45.12	339.81	9.80	-35.32
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC(C)=C1	REAL300018479778	0	46	0.0	-41.83	372.57	11.11	-30.72
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C(C)=C1OC	REAL300018479779	0	54	0.0	-46.78	417.88	10.03	-36.75
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=N2)C=C1	REAL300018479780	0	48	0.0	-39.47	396.69	9.49	-29.98
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479781	0	43	0.0	-36.70	354.15	9.93	-26.77
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479782	0	54	0.0	-39.60	428.02	9.59	-30.01
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479783	0	47	0.0	-37.86	397.64	11.45	-26.41
O=C([O-])C([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=CNC2=CC=CC=C12	REAL300018479784	0	50	0.0	-41.36	400.32	12.33	-29.03
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=CNC2=CC=CC=C21	REAL300018479785	0	43	0.0	-38.46	363.11	7.21	-31.25
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479786	0	43	0.0	-40.64	345.03	7.98	-32.66
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=CN=C21	REAL300018479787	0	42	0.0	-43.35	351.23	8.11	-35.24
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479788	0	46	0.0	-39.45	375.90	11.12	-28.33
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479789	0	49	0.0	-43.69	393.86	11.63	-32.06
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479790	0	51	0.0	-34.20	379.49	6.93	-27.27
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=N1	REAL300018479791	0	43	0.0	-41.41	352.86	8.30	-33.11
CN1CCN(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=N2)CC1	REAL300018479792	0	52	0.0	-40.48	411.62	7.29	-33.19
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=CNC2=CC=CC=C12	REAL300018479793	0	48	0.0	-40.02	395.83	12.39	-27.63
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CNC2=CC=CC=C21	REAL300018479797	0	48	0.0	-36.44	353.31	8.54	-27.90
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C2)CO1	REAL300018479798	0	48	0.0	-39.96	367.36	8.36	-31.60
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C2)CO1	REAL300018479799	0	45	0.0	-38.63	351.06	7.76	-30.87
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CNC2=CC=CC=C21	REAL300018479800	0	45	0.0	-36.97	351.14	9.09	-27.88
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CNC2=CC=CC=C21	REAL300018479801	0	44	0.0	-42.26	351.01	10.16	-32.10
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=C21	REAL300018479802	0	43	0.0	-37.46	346.77	10.23	-27.23
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479803	0	44	0.0	-33.47	347.53	8.76	-24.71
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479806	0	43	0.0	-32.90	336.86	10.13	-22.77
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1	REAL300018479807	0	40	0.0	-37.89	334.86	9.69	-28.20
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C(C)=C1C	REAL300018479808	0	46	0.0	-33.28	355.99	10.64	-22.64
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C43)=CC2=C1	REAL300018479810	0	44	0.0	-36.08	373.86	9.80	-26.28
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=CC=C21	REAL300018479812	0	49	0.0	-37.12	387.55	9.63	-27.49
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CNC3=CC=CC=C13)CC2	REAL300018479813	0	54	0.0	-38.87	394.85	9.30	-29.57
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1Cl	REAL300018479814	0	41	0.0	-36.46	362.27	10.42	-26.04
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC=C1C1CC1	REAL300018479815	0	47	0.0	-35.51	375.39	11.61	-23.90
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CNC3=CC=CC=C13)C2	REAL300018479816	0	51	0.0	-36.97	386.18	10.26	-26.71
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CC=N1	REAL300018479817	0	43	0.0	-36.21	355.38	6.56	-29.65
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1C1CC1	REAL300018479818	0	47	0.0	-35.61	374.80	11.61	-24.00
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C(C)=C2)C=C1	REAL300018479819	0	50	0.0	-40.79	398.34	11.25	-29.54
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479820	0	43	0.0	-38.36	378.12	10.85	-27.51
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479821	0	47	0.0	-40.19	395.20	11.22	-28.97
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C43)C=C2)C=C1Cl	REAL300018479822	0	47	0.0	-39.80	405.27	11.27	-28.53
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=C2C1C	REAL300018479825	0	48	0.0	-37.87	381.62	10.11	-27.76
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1OC(F)F	REAL300018479826	0	44	0.0	-40.10	367.69	9.31	-30.79
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1	REAL300018479827	0	47	0.0	-37.53	374.94	8.26	-29.27
CC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)NN=C1C(F)(F)F	REAL300018479828	0	40	0.0	-38.84	346.10	6.84	-32.00
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CNC2=CC=CC=C12	REAL300018479829	0	47	0.0	-37.88	350.97	10.00	-27.88
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1O	REAL300018479830	0	41	0.0	-38.18	337.54	6.82	-31.36
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CNC2=CC=CC=C21	REAL300018479833	0	42	0.0	-36.27	344.22	8.83	-27.44
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CNC2=CC=CC=C21	REAL300018479835	0	45	0.0	-37.05	360.63	9.06	-27.99
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CNC2=CC=CC=C21	REAL300018479836	0	45	0.0	-40.77	372.65	8.84	-31.93
O=C([O-])C([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=CNC2=CC=CC=C21	REAL300018479837	0	51	0.0	-41.18	410.74	10.93	-30.25
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479838	0	41	0.0	-35.14	348.58	10.00	-25.14
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CNC2=CC=CC=C12	REAL300018479839	0	44	0.0	-40.54	360.97	10.96	-29.58
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=CNC2=CC=CC=C12	REAL300018479840	0	44	0.0	-36.09	369.25	11.29	-24.80
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CNC2=CC=CC=C21	REAL300018479841	0	44	0.0	-34.06	373.44	11.26	-22.80
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479842	0	45	0.0	-37.29	366.98	9.89	-27.40
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C1=CNC2=CC=CC=C12	REAL300018479843	0	41	0.0	-38.81	358.48	8.78	-30.03
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=CNC2=CC=CC=C12	REAL300018479844	0	43	0.0	-36.41	379.57	10.87	-25.54
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C(C)=C1	REAL300018479845	0	50	0.0	-40.08	397.76	11.94	-28.14
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)C=C2)C=N1	REAL300018479846	0	50	0.0	-41.58	404.17	12.53	-29.05
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CNC2=CC=CC=C21	REAL300018479847	0	51	0.0	-34.63	402.00	12.98	-21.65
CC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)OC2=CC=C(F)C=C12	REAL300018479849	1	43	0.0	-34.91	362.67	10.22	-24.69
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479850	0	43	0.0	-36.16	360.43	10.93	-25.23
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479851	1	47	0.0	-39.21	387.00	10.09	-29.12
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1	REAL300018479854	0	48	0.0	-37.16	378.45	9.45	-27.71
O=C([O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479855	0	40	0.0	-38.30	349.21	8.05	-30.25
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CNC2=CC=CC=C12	REAL300018479859	0	40	0.0	-42.02	344.06	9.87	-32.15
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CNC2=CC=CC=C21	REAL300018479860	0	45	0.0	-37.41	354.45	9.00	-28.41
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COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C(C)=C1	REAL300018479881	0	53	0.0	-40.94	405.25	10.77	-30.17
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CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=CC=C1O	REAL300018479885	0	54	0.0	-41.53	426.29	9.05	-32.48
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CC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)SC2=CC(F)=CC=C12	REAL300018479889	0	43	0.0	-37.35	366.99	11.05	-26.30
O=C([O-])C([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=CNC2=CC=CC=C21	REAL300018479890	0	43	0.0	-40.82	362.98	7.15	-33.67
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COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1OCCO	REAL300018479893	0	49	0.0	-40.80	399.02	5.99	-34.81
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CNC2=CC=CC=C21	REAL300018479894	0	42	0.0	-39.46	348.04	9.44	-30.02
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)=C2O1	REAL300018479895	0	43	0.0	-39.04	356.15	10.12	-28.92
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1F)C1=CNC2=CC=CC=C12	REAL300018479896	0	40	0.0	-40.76	351.22	10.01	-30.75
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=C1F	REAL300018479897	0	47	0.0	-38.09	383.87	9.91	-28.18
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CNC2=CC=CC=C12	REAL300018479899	0	40	0.0	-40.48	342.00	7.69	-32.79
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1=CNC2=CC=CC=C12	REAL300018479901	0	44	0.0	-39.94	373.60	10.27	-29.67
O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479903	0	40	0.0	-37.37	345.65	7.87	-29.50
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479904	0	41	0.0	-36.65	352.84	8.42	-28.23
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O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CNC2=CC=CC=C12	REAL300018479907	0	40	0.0	-40.60	340.69	9.37	-31.23
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COC1=CC=CC(CN2CCC([NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)CC2)=C1	REAL300018479909	0	56	0.0	-38.33	427.72	8.60	-29.73
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O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479914	0	53	0.0	-35.32	410.22	12.80	-22.52
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479915	0	47	0.0	-35.74	376.12	9.35	-26.39
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479916	0	45	0.0	-38.28	367.80	9.64	-28.64
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CNC2=CC=CC=C21	REAL300018479917	0	45	0.0	-39.47	375.63	9.26	-30.21
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479918	1	44	0.0	-37.08	370.35	8.21	-28.87
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C1	REAL300018479919	0	51	0.0	-33.30	370.19	7.40	-25.90
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479920	0	50	0.0	-37.17	409.72	13.44	-23.73
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3=CNC4=CC=CC=C34)CC2)C=C1	REAL300018479922	0	53	0.0	-40.66	404.99	12.49	-28.17
O=C([O-])C([NH2+]CC1=CC=C(CF)C=C1)C1=CNC2=CC=CC=C12	REAL300018479923	0	40	0.0	-38.55	336.23	9.83	-28.72
O=C([O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=CNC2=CC=CC=C21	REAL300018479924	0	41	0.0	-37.45	369.07	9.30	-28.15
O=C([O-])C([NH2+]CC1=CC=C2SC=CC2=C1)C1=CNC2=CC=CC=C21	REAL300018479925	0	40	0.0	-37.39	345.29	10.35	-27.04
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479926	0	46	0.0	-39.91	377.78	10.65	-29.26
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479927	0	43	0.0	-40.64	345.03	7.98	-32.66
O=C([O-])C([NH2+]C1CC2CC=CCC2C1)C1=CNC2=CC=CC=C12	REAL300018479928	0	45	0.0	-37.77	343.62	10.12	-27.65
CC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)=C1C(F)(F)F	REAL300018479929	0	43	0.0	-41.23	351.36	10.52	-30.71
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C32)C=N1	REAL300018479930	0	41	0.0	-40.60	345.51	8.22	-32.38
O=C([O-])C([NH2+]CC1=CC2=NNC=C2C=C1)C1=CNC2=CC=CC=C21	REAL300018479931	0	40	0.0	-39.34	334.62	7.70	-31.64
CCC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=C1	REAL300018479932	0	49	0.0	-35.90	386.92	11.60	-24.30
O=C([O-])C([NH2+]C1CCC2(C1)CCOCC2)C1=CNC2=CC=CC=C21	REAL300018479933	0	48	0.0	-37.28	356.69	8.07	-29.21
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCCC2)C1=CNC2=CC=CC=C21	REAL300018479935	0	47	0.0	-33.99	363.71	11.35	-22.64
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C21	REAL300018479936	0	44	0.0	-39.34	366.90	10.85	-28.49
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=CNC2=CC=CC=C21	REAL300018479937	0	43	0.0	-42.91	358.81	8.83	-34.08
CC1=C(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)C=CC2=CC=CC=C21	REAL300018479938	0	46	0.0	-35.16	361.71	11.64	-23.52
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479939	0	55	0.0	-34.17	432.23	10.60	-23.57
COC1=C2C=CNC2=CC=C1C[NH2+]C(C(=O)[O-])C1=CNC2=CC=CC=C12	REAL300018479940	0	45	0.0	-36.45	367.80	8.39	-28.06
O=C([O-])C([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=CNC2=CC=CC=C12	REAL300018479941	0	50	0.0	-37.33	394.53	5.98	-31.35
CCCN1N=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=C1C	REAL300018479942	0	46	0.0	-35.23	368.90	8.84	-26.39
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CNC3=CC=CC=C23)=CN=C1N1C=CC=N1	REAL300018479943	0	46	0.0	-41.34	379.93	10.31	-31.03
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CC1=CC=C(CC[NH2+]CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C=C1	REAL300018479947	0	46	0.0	-66.87	380.34	12.79	-54.08
CC1=CC=C(CC[NH2+]CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C=C1	REAL300018479948	0	53	0.0	-73.81	434.06	13.64	-60.17
CC1=CC=C(CC[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C=C1	REAL300018479949	0	46	0.0	-83.74	384.12	12.13	-71.61
CC1=CC=C(CC[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C=C1	REAL300018479950	0	46	0.0	-83.74	384.12	12.13	-71.61
CC1=CC=C(CC[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C=C1	REAL300018479951	0	46	0.0	-55.19	378.97	11.51	-43.68
CC1=CC=C(CC[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C=C1	REAL300018479952	0	49	0.0	-83.59	399.33	12.10	-71.49
CC1=CC=C(CC[NH2+]C2CCN(CCCC(=O)[O-])CC2)C=C1	REAL300018479953	1	50	0.0	-72.59	378.33	8.67	-63.92
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCC1=CC=C(C)C=C1	REAL300018479954	0	48	0.0	-73.75	387.54	9.98	-63.77
CC1=CC=C(CC[NH2+]CC2=CC=C(OC(C)C(=O)[O-])C=C2)C=C1	REAL300018479955	0	46	0.0	-80.77	373.12	11.15	-69.62
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCC2=CC=C(C)C=C2)C=C1	REAL300018479956	0	46	0.0	-78.81	382.76	10.28	-68.53
CC1=CC=C(CC[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)C=C1	REAL300018479957	0	45	0.0	-68.36	353.14	10.45	-57.91
CC1=CC=C(CC[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)C=C1	REAL300018479958	0	39	0.0	-81.04	336.70	10.67	-70.37
CC1=CC=C(CC[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C=C1	REAL300018479959	0	42	0.0	-78.26	352.61	11.32	-66.94
CC1=CC=C(CC[NH2+]CC2=CC(C)=CC(Br)=C2OCC(=O)[O-])C=C1	REAL300018479960	0	46	0.0	-58.80	397.14	11.92	-46.88
CC1=CC=C(CC[NH2+]CC2=CC=C(C(=O)[O-])C(Br)=C2)C=C1	REAL300018479961	0	39	0.0	-79.63	340.43	10.76	-68.87
CC1=CC=C(CC[NH2+]C2CCCC(CCCC(=O)[O-])C2)C=C1	REAL300018479962	0	51	0.0	-74.99	384.29	11.82	-63.17
CC1=CC=C(CC[NH2+]CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C=C1	REAL300018479963	0	49	0.0	-71.18	403.49	11.87	-59.31
CC1=CC=C(CC[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)C=C1	REAL300018479964	0	46	0.0	-55.91	365.80	11.80	-44.11
CC1=CC=C(CC[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C=C1	REAL300018479965	0	39	0.0	-82.65	352.42	10.97	-71.68
CC1=CC=C(CC[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C=C1	REAL300018479966	0	41	0.0	-99.77	346.98	9.23	-90.54
CC1=CC=C(CC[NH2+]CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])C=C1	REAL300018479967	0	46	0.0	-54.08	388.30	11.69	-42.39
CC1=CC=C(CC[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C=C1	REAL300018479968	0	39	0.0	-65.78	334.76	10.32	-55.46
CC1=CC=C(CC[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)C=C1	REAL300018479969	0	42	0.0	-64.80	351.03	10.70	-54.10
CC1=CC=C(CC[NH2+]CC2=CN=C3C(Br)=CC(C(=O)[O-])=CN23)C=C1	REAL300018479970	0	42	0.0	-66.09	372.34	11.26	-54.83
CC1=CC=C(CC[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)C=C1	REAL300018479971	0	42	0.0	-81.60	349.86	9.99	-71.61
CC1=CC=C(CC[NH2+]CC2=CC=CC(C(=O)[O-])=C2Br)C=C1	REAL300018479972	0	39	0.0	-67.46	335.46	10.69	-56.77
CC1=CC=C(CC[NH2+]CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C=C1	REAL300018479973	0	46	0.0	-71.16	371.05	9.87	-61.29
CC1=CC=C(CC[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C=C1	REAL300018479974	0	46	0.0	-81.64	371.30	10.17	-71.47
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COC1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1C(C)(C)C	REAL300018491703	0	56	0.0	-65.41	412.76	10.31	-55.10
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CC(CCC1=NNC2=CC=CC=C21)[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491737	0	52	0.0	-76.28	397.97	8.94	-67.34
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CCCOC1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1C	REAL300018491743	0	53	0.0	-65.78	405.03	10.10	-55.68
COC1=C(C)C=NC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1C	REAL300018491744	0	49	0.0	-72.13	376.63	7.04	-65.09
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491745	0	50	0.0	-61.33	386.01	9.94	-51.39
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CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CCC(OCC(=O)[O-])CC3)O2)C=C1	REAL300018491749	0	59	0.0	-67.82	448.45	12.53	-55.29
CC1CC([NH2+]C2CCC(OCC(=O)[O-])CC2)CCN1CC1=CC=CC=C1	REAL300018491750	0	58	0.0	-60.56	421.00	9.50	-51.06
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491751	0	60	0.0	-58.10	435.64	11.50	-46.60
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CN1C=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C([N+](=O)[O-])=N1	REAL300018491756	0	42	0.0	-69.13	340.26	7.71	-61.42
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COC1=NSC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1	REAL300018491758	0	40	0.0	-70.53	329.41	4.24	-66.29
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COC1=CC=CC(Cl)=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491761	0	44	0.0	-55.61	354.31	8.09	-47.52
CC1=NC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)N1C1=CC=CC=C1	REAL300018491762	0	50	0.0	-64.20	391.12	10.60	-53.60
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1	REAL300018491763	0	58	0.0	-77.21	448.99	13.01	-64.20
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CCN(CC)C1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1F	REAL300018491765	0	54	0.0	-67.58	412.56	9.50	-58.08
CCOC1CC([NH2+]C2CCC(OCC(=O)[O-])CC2)C12CCCC2	REAL300018491766	0	54	0.0	-71.42	392.55	9.13	-62.29
COC1=CC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C(SC)C=C1OC	REAL300018491767	0	52	0.0	-62.70	406.45	8.46	-54.24
CN(C)C1=CC=C(N2CCC([NH2+]C3CCC(OCC(=O)[O-])CC3)CC2)C=C1	REAL300018491768	0	60	0.0	-75.62	433.87	8.93	-66.69
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491769	0	51	0.0	-81.22	388.45	10.52	-70.70
CCCC(C[NH2+]C1CCC(OCC(=O)[O-])CC1)C1=CC=CC=C1	REAL300018491770	0	52	0.0	-60.51	389.28	10.94	-49.57
CC1CC([NH2+]C2CCC(OCC(=O)[O-])CC2)CC(C2=CC=CC=C2)C1	REAL300018491771	0	56	0.0	-63.01	401.77	11.52	-51.49
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491772	0	50	0.0	-61.24	386.42	9.30	-51.94
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CCOC1=CN=CC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1	REAL300018491776	0	46	0.0	-68.59	358.38	6.73	-61.86
CCOC1=CC(F)=CC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1	REAL300018491777	0	47	0.0	-67.93	369.87	8.62	-59.31
COC1=CC=C(C(C)C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1	REAL300018491778	0	50	0.0	-66.00	377.58	8.91	-57.09
CN1N=C(C2CC2)C=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491779	0	47	0.0	-69.95	364.43	7.98	-61.97
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CC([NH2+]C1CCC(OCC(=O)[O-])CC1)C(C)C1=CC=CC=C1	REAL300018491781	0	49	0.0	-60.81	362.36	9.98	-50.83
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CCC(CC1=CC=C(Br)C=C1)[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491845	0	49	0.0	-78.30	385.04	10.63	-67.67
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CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491858	0	52	0.0	-82.37	402.48	11.01	-71.36
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CC1=NOC(C2CC([NH2+]C3CCC(OCC(=O)[O-])CC3)C2)=N1	REAL300018491942	0	45	0.0	-69.35	350.99	5.82	-63.53
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COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1	REAL300018491947	0	50	0.0	-81.29	410.36	9.01	-72.28
COC1=CC=C(CC(C)[NH2+]C2CCC(OCC(=O)[O-])CC2)C(C)=C1	REAL300018491948	0	53	0.0	-73.65	394.28	9.28	-64.37
CCC1=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=NN1CC	REAL300018491949	0	49	0.0	-65.98	371.46	8.24	-57.74
CC1=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C(C(F)(F)F)=CO1	REAL300018491950	0	43	0.0	-72.28	353.52	8.01	-64.27
CC(F)(F)C1=CC=CC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1	REAL300018491951	0	46	0.0	-66.08	365.30	9.85	-56.23
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CN1C=C(C2=NNC=C2C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=N1	REAL300018491953	0	47	0.0	-64.81	372.50	6.02	-58.79
COC1=CC=C(CCC(C)[NH2+]C2CCC(OCC(=O)[O-])CC2)C(C)=C1	REAL300018491954	0	56	0.0	-77.64	413.67	9.90	-67.74
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CC1CCC([NH2+]C2CCC(OCC(=O)[O-])CC2)CC2=CC=CC=C21	REAL300018491956	0	53	0.0	-63.15	379.71	10.78	-52.37
O=C([O-])COC1CCC([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)CC1	REAL300018491957	0	47	0.0	-76.07	379.73	10.66	-65.41
CCOC1=CC(CCC(C)[NH2+]C2CCC(OCC(=O)[O-])CC2)=CC=C1O	REAL300018491958	0	57	0.0	-67.12	431.15	8.51	-58.61
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COC1=C(C)C(C)=C(OC)C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1C	REAL300018491960	0	57	0.0	-60.78	424.37	8.96	-51.82
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O=C([O-])COC1CCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)CC1	REAL300018491964	0	60	0.0	-65.06	442.28	11.83	-53.23
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CCC(OCC(=O)[O-])CC3)C=C2)=C1	REAL300018491965	0	55	0.0	-78.44	432.36	10.39	-68.05
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1	REAL300018491966	0	55	0.0	-78.88	433.46	11.01	-67.87
COCC1=CC=CC=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491967	0	47	0.0	-65.32	358.54	8.17	-57.15
O=C([O-])COC1CCC([NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)CC1	REAL300018491968	0	53	0.0	-69.72	421.21	13.04	-56.68
O=C([O-])COC1CCC([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)CC1	REAL300018491969	0	44	0.0	-68.17	368.49	9.79	-58.38
O=C([O-])COC1CCC([NH2+]CC2=CC=C3CCOCC3=C2)CC1	REAL300018491970	0	48	0.0	-66.68	365.81	8.42	-58.26
CC1=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)SC2=CC(F)=CC=C12	REAL300018491971	0	46	0.0	-69.32	372.63	10.46	-58.86
O=C([O-])COC1CCC([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)CC1	REAL300018491972	0	46	0.0	-74.68	366.72	6.49	-68.19
COC1=CC=C(F)C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1OC	REAL300018491973	0	48	0.0	-68.52	379.78	7.56	-60.96
CCN1C=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C(C2CC2)=N1	REAL300018491974	0	50	0.0	-66.40	388.56	9.17	-57.23
COC1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1OCCO	REAL300018491975	0	52	0.0	-72.70	404.06	5.37	-67.33
CN1C=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C(C2=CC=NN2C)=N1	REAL300018491976	0	50	0.0	-65.46	397.11	7.20	-58.26
CC(C)(C)C1=NOC=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018491977	0	48	0.0	-66.72	355.58	8.15	-58.57
O=C([O-])COC1CCC([NH2+]CC2=CC3=CN=CC=C3C=C2)CC1	REAL300018491978	0	45	0.0	-71.40	353.10	8.80	-62.60
COC1=CC(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=CC=C1OCC1CCCO1	REAL300018491979	0	59	0.0	-73.72	449.77	8.96	-64.76
CC1=CC2=CC=CC(C[NH2+]C3CCC(OCC(=O)[O-])CC3)=C2O1	REAL300018491980	0	46	0.0	-60.93	361.34	9.48	-51.45
O=C([O-])COC1CCC([NH2+]CC2=CC=CC(F)=C2C(F)(F)F)CC1	REAL300018491981	0	43	0.0	-67.25	345.99	9.42	-57.83
O=C([O-])COC1CCC([NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)CC1	REAL300018491982	0	47	0.0	-60.89	387.01	9.10	-51.79
O=C([O-])COC1CCC([NH2+]CC2=CON=C2C2CCC2)CC1	REAL300018491983	0	46	0.0	-70.19	356.79	8.41	-61.78
O=C([O-])COC1CCC([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)CC1	REAL300018491984	0	43	0.0	-65.12	356.42	9.35	-55.77
CC(C)OC1=CC=C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)C=C1F	REAL300018491985	0	50	0.0	-69.23	387.62	9.26	-59.97
CC1=NN(C2CCCC2)C(C[NH2+]C2CCC(OCC(=O)[O-])CC2)=C1	REAL300018491986	0	53	0.0	-68.18	400.18	9.40	-58.78
O=C([O-])COC1CCC([NH2+]CC2=CC=NN2CC(F)F)CC1	REAL300018491987	0	43	0.0	-75.76	343.00	7.13	-68.63
O=C([O-])COC1CCC([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)CC1	REAL300018491989	0	47	0.0	-70.22	377.34	9.60	-60.62
O=C([O-])COC1CCC([NH2+]CC2=NN(C3CCC3)C=C2)CC1	REAL300018491990	0	47	0.0	-65.21	358.20	7.89	-57.32
O=C([O-])COC1CCC([NH2+]CC2=NN(CC(F)F)C=C2)CC1	REAL300018491991	0	43	0.0	-67.70	349.49	7.19	-60.51
O=C([O-])COC1CCC([NH2+]CC2=NN(C3CC3(F)F)C=C2)CC1	REAL300018491992	0	44	0.0	-70.75	358.00	7.76	-62.99
O=C([O-])COC1CCC([NH2+]CC2=CC(Br)=CC3=CC=CN=C32)CC1	REAL300018491993	0	45	0.0	-59.80	373.14	9.46	-50.34
O=C([O-])COC1CCC([NH2+]CC2=NN(C3CCCC3)C=C2)CC1	REAL300018491994	0	50	0.0	-60.39	377.88	8.67	-51.72
O=C([O-])COC1CCC([NH2+]CC2=C3OC=CC3=C(F)C=C2)CC1	REAL300018491995	0	43	0.0	-66.38	345.86	8.72	-57.66
O=C([O-])COC1CCC([NH2+]CC2=C3OC=CC3=CC(Cl)=C2)CC1	REAL300018491996	0	43	0.0	-66.02	356.16	9.15	-56.87
COC1=CC=CC(CN2CCC([NH2+]C3CCC(OCC(=O)[O-])CC3)CC2)=C1	REAL300018491997	0	59	0.0	-74.13	434.68	7.88	-66.25
COC1=CC=C2SC(C[NH2+]C3CCC(OCC(=O)[O-])CC3)=NC2=C1	REAL300018491998	0	46	0.0	-64.92	373.28	7.05	-57.87
O=C([O-])COC1CCC([NH2+]CC2=CN=C3C=C(Br)C=CN23)CC1	REAL300018491999	0	43	0.0	-71.08	360.25	9.38	-61.70
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CCC(OCC(=O)[O-])CC1	REAL300018492000	0	46	0.0	-65.91	366.53	10.01	-55.90
CC1(C)CC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC(C)(C)C1	REAL300018493439	0	55	0.0	-32.66	379.20	11.03	-21.63
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018493440	0	47	0.0	-36.10	362.75	11.76	-24.34
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493441	0	53	0.0	-34.75	391.24	11.99	-22.76
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(Cl)=C1OC	REAL300018493442	0	48	0.0	-31.18	384.49	9.38	-21.80
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018493443	0	47	0.0	-37.31	377.17	12.21	-25.10
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018493444	0	43	0.0	-31.71	344.36	11.07	-20.64
CC(C)OC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493445	0	50	0.0	-34.21	376.78	10.41	-23.80
CCCCCCCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493446	0	62	0.0	-36.40	468.66	13.74	-22.66
CC(C[NH2+]C(CC1CC=CCC1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018493447	0	61	0.0	-35.65	442.82	13.95	-21.70
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018493448	0	39	0.0	-47.14	330.07	9.40	-37.74
CC(C)CC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493449	0	52	0.0	-34.38	390.96	12.28	-22.10
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=C2)C=C1	REAL300018493450	0	53	0.0	-32.44	402.98	13.76	-18.68
COC1=CC=C(Br)C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493451	0	44	0.0	-30.97	347.85	9.28	-21.69
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018493452	0	46	0.0	-47.44	365.04	10.49	-36.95
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018493453	0	40	0.0	-36.14	343.34	10.61	-25.53
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493454	0	53	0.0	-30.52	403.42	13.76	-16.76
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018493455	0	44	0.0	-33.50	348.91	9.34	-24.16
CCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OCC	REAL300018493456	0	54	0.0	-34.18	412.11	10.80	-23.38
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018493457	0	43	0.0	-33.57	361.41	11.17	-22.40
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018493458	0	40	0.0	-25.35	330.88	10.32	-15.03
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018493459	0	43	0.0	-38.83	347.94	8.82	-30.01
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018493460	0	44	0.0	-30.75	353.36	9.47	-21.28
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493461	0	46	0.0	-42.43	367.67	7.04	-35.39
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493462	0	54	0.0	-35.29	415.22	12.59	-22.70
CC(CCOCC1=CC=CC=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493463	0	53	0.0	-32.91	400.40	11.14	-21.77
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018493464	0	47	0.0	-37.15	366.75	11.75	-25.40
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018493465	0	50	0.0	-37.25	400.74	13.53	-23.72
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018493466	0	50	0.0	-32.75	398.30	13.60	-19.15
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018493467	0	50	0.0	-33.07	406.34	12.42	-20.65
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493468	0	46	0.0	-38.81	355.96	10.10	-28.71
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018493469	0	45	0.0	-34.00	345.40	9.58	-24.42
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300018493470	0	57	0.0	-37.45	442.71	11.06	-26.39
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018493471	0	51	0.0	-34.55	381.11	9.43	-25.12
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493472	0	48	0.0	-39.85	381.92	6.43	-33.42
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018493473	0	43	0.0	-29.69	346.63	8.62	-21.07
CC1(C)CCC2=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CC=C2O1	REAL300018493474	0	54	0.0	-31.10	397.98	11.50	-19.60
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493475	0	55	0.0	-31.90	385.62	12.63	-19.27
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018493476	0	49	0.0	-33.65	378.74	11.40	-22.25
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018493477	0	49	0.0	-39.43	379.44	11.26	-28.17
CN1CCN(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=C2)CC1	REAL300018493478	1	57	0.0	-34.34	416.41	8.23	-26.11
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018493479	0	49	0.0	-38.77	388.10	8.06	-30.71
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018493480	0	50	0.0	-34.42	364.09	7.69	-26.73
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018493481	0	55	0.0	-35.66	413.61	10.57	-25.09
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018493482	0	54	0.0	-35.55	389.40	8.31	-27.24
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018493483	0	47	0.0	-33.63	372.60	10.96	-22.67
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018493484	0	47	0.0	-33.22	382.92	11.41	-21.81
CC(C)(C)N1C=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300018493485	0	49	0.0	-31.67	372.42	9.58	-22.09
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300018493486	0	59	0.0	-36.96	455.18	12.72	-24.24
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018493487	0	47	0.0	-38.59	377.91	10.21	-28.38
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018493489	0	47	0.0	-32.14	391.55	12.81	-19.33
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300018493490	0	51	0.0	-36.67	409.83	10.34	-26.33
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018493491	0	50	0.0	-35.31	378.53	9.63	-25.68
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018493492	0	53	0.0	-40.56	415.96	11.09	-29.47
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018493493	0	53	0.0	-33.44	413.55	11.34	-22.10
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300018493495	0	46	0.0	-34.52	374.51	9.58	-24.94
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300018493496	0	50	0.0	-36.09	407.86	11.88	-24.21
COCCOC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493497	0	51	0.0	-31.34	392.34	9.17	-22.17
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1Cl	REAL300018493498	0	44	0.0	-32.49	355.19	9.61	-22.88
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2OC1	REAL300018493499	0	46	0.0	-37.62	377.14	10.71	-26.91
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018493500	0	46	0.0	-35.95	385.87	11.08	-24.87
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018493501	0	45	0.0	-32.85	370.28	8.53	-24.32
COC1=NC=C(Br)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493502	0	43	0.0	-32.51	356.61	7.14	-25.37
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018493503	0	39	0.0	-29.61	323.48	8.30	-21.31
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018493504	0	49	0.0	-32.76	383.24	7.07	-25.69
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018493505	0	45	0.0	-35.60	343.16	9.78	-25.82
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018493506	0	47	0.0	-32.80	380.59	10.45	-22.35
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018493507	0	46	0.0	-33.73	352.42	8.97	-24.76
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018493508	0	49	0.0	-40.16	369.63	9.61	-30.55
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018493509	0	47	0.0	-37.59	365.83	11.76	-25.83
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018493510	0	47	0.0	-36.05	366.02	11.87	-24.18
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018493511	0	48	0.0	-35.33	376.52	10.96	-24.37
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018493512	0	51	0.0	-35.43	385.51	8.06	-27.37
CCCOC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493513	0	50	0.0	-29.40	380.22	10.70	-18.70
C#CCCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493514	0	49	0.0	-37.03	388.45	11.14	-25.89
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018493515	0	47	0.0	-34.89	373.10	12.11	-22.78
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018493516	0	47	0.0	-36.40	386.36	12.54	-23.86
CC1=C2C=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=NC2=NN1	REAL300018493517	0	45	0.0	-45.31	352.72	8.27	-37.04
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018493518	0	54	0.0	-29.33	401.45	11.87	-17.46
CN(C)C1=NC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])S1	REAL300018493519	0	44	0.0	-36.30	351.23	8.60	-27.70
CC(C)OC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493520	0	50	0.0	-29.49	376.65	10.53	-18.96
CC1=CC=C(C2=NC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CS2)C=C1	REAL300018493521	1	49	0.0	-27.18	394.48	11.18	-16.00
CC(C)C1=NC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CS1	REAL300018493522	1	45	0.0	-33.33	355.13	8.71	-24.62
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300018493523	1	43	0.0	-27.14	346.00	8.97	-18.17
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018493524	0	54	0.0	-36.81	422.17	12.97	-23.84
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300018493525	0	50	0.0	-36.52	403.79	9.98	-26.54
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493526	0	49	0.0	-35.22	367.61	11.82	-23.40
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493527	0	52	0.0	-36.73	405.11	12.85	-23.88
CC1=CC=C(CCC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493528	0	52	0.0	-31.22	379.63	12.57	-18.65
CC(C1=CC=CC=C1)N1CCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])C1	REAL300018493529	0	55	0.0	-30.34	405.84	10.46	-19.88
CC1=CC=C(OCC2=NC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CS2)C=C1	REAL300018493530	0	53	0.0	-37.52	427.35	10.73	-26.79
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493531	0	63	0.0	-34.11	461.90	14.17	-19.94
CC(C)(C)C1=NC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CS1	REAL300018493532	1	48	0.0	-26.34	374.94	9.26	-17.08
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018493533	0	43	0.0	-30.70	365.90	9.33	-21.37
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018493534	0	47	0.0	-34.08	384.07	12.44	-21.64
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018493535	0	52	0.0	-35.03	385.72	10.09	-24.94
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018493536	0	44	0.0	-35.23	345.70	8.17	-27.06
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018493537	0	43	0.0	-30.51	350.88	10.53	-19.98
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])S1	REAL300018493538	0	48	0.0	-31.11	376.40	9.54	-21.57
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])S2)C=C1	REAL300018493539	0	50	0.0	-31.97	396.23	12.98	-18.99
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493540	0	44	0.0	-27.19	370.44	10.15	-17.04
C#CCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493541	0	46	0.0	-39.13	366.95	10.37	-28.76
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493542	0	52	0.0	-35.80	382.79	12.47	-23.33
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018493543	0	51	0.0	-34.94	408.64	12.52	-22.42
CCOC1=C(OC)C=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OC	REAL300018493544	0	55	0.0	-36.31	423.42	9.82	-26.49
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018493545	0	54	0.0	-33.77	395.16	8.50	-25.27
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1SC	REAL300018493546	0	48	0.0	-33.59	377.25	10.05	-23.54
CCC(C)OC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1OC	REAL300018493547	0	57	0.0	-33.52	427.62	11.25	-22.27
C=C(C)COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1OC	REAL300018493548	0	55	0.0	-34.34	420.92	11.18	-23.16
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OCCC(C)C	REAL300018493549	0	60	0.0	-33.97	450.82	11.98	-21.99
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018493550	0	61	0.0	-33.43	428.98	5.65	-27.78
CCOCC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1OC	REAL300018493551	0	54	0.0	-35.00	413.10	9.97	-25.03
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018493552	0	47	0.0	-34.20	367.63	9.64	-24.56
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018493553	1	46	0.0	-36.14	372.71	10.52	-25.62
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493554	0	52	0.0	-35.33	397.28	12.96	-22.37
C=CCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1Cl	REAL300018493555	0	48	0.0	-31.90	388.62	11.07	-20.83
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018493556	0	46	0.0	-32.02	374.58	10.78	-21.24
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018493557	0	52	0.0	-29.26	393.48	9.40	-19.86
CN1N=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C2=CC=CC=C21	REAL300018493558	0	46	0.0	-32.64	359.83	9.52	-23.12
CN(C)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1F	REAL300018493559	0	48	0.0	-31.64	368.27	9.20	-22.44
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018493560	0	43	0.0	-39.17	344.55	9.17	-30.00
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493562	0	55	0.0	-27.35	387.90	12.32	-15.03
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300018493563	0	49	0.0	-36.23	398.25	9.14	-27.09
CC1(C)CC2=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CC=C2O1	REAL300018493564	0	51	0.0	-37.73	387.30	10.85	-26.88
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018493565	0	43	0.0	-30.76	366.36	9.41	-21.35
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018493566	0	47	0.0	-33.21	377.89	10.05	-23.16
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300018493567	0	40	0.0	-26.19	343.51	10.81	-15.38
CN(C)C1=NC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])N1C	REAL300018493568	0	48	0.0	-34.72	367.94	8.65	-26.07
CC(C)COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493569	0	53	0.0	-36.39	402.77	11.31	-25.08
COCCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493570	0	51	0.0	-37.83	391.96	9.02	-28.81
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493571	0	49	0.0	-30.53	374.19	11.86	-18.67
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018493572	0	44	0.0	-34.54	364.94	9.88	-24.66
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300018493573	0	48	0.0	-37.33	403.07	11.06	-26.27
CC1=CC=CC=C1CC(C)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493574	0	49	0.0	-37.12	357.65	11.28	-25.84
CC1=CC=CC(CC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493575	0	49	0.0	-28.02	360.81	11.64	-16.38
COC1=CC2=C(C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-])OCO2	REAL300018493576	0	47	0.0	-37.27	364.04	7.61	-29.66
COC1=CC(Cl)=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OC	REAL300018493577	0	48	0.0	-36.59	379.25	9.25	-27.34
CC(C)COC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493578	0	53	0.0	-29.22	400.32	11.40	-17.82
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300018493579	0	60	0.0	-37.48	447.00	8.39	-29.09
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018493580	0	46	0.0	-31.76	350.68	11.77	-19.99
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OC	REAL300018493581	0	52	0.0	-33.34	421.80	11.08	-22.26
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1CN1C=CC=N1	REAL300018493582	0	54	0.0	-35.33	421.87	10.74	-24.59
CC1(C)CC2=CC=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=C2O1	REAL300018493583	0	51	0.0	-33.99	386.86	10.96	-23.03
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018493584	1	46	0.0	-37.02	358.33	9.33	-27.69
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=NC=C1Br	REAL300018493585	0	39	0.0	-28.14	317.90	8.33	-19.81
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018493586	0	40	0.0	-32.50	335.90	10.40	-22.10
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493587	0	46	0.0	-43.87	365.24	11.37	-32.50
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018493588	0	47	0.0	-33.73	365.60	10.72	-23.01
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018493589	0	45	0.0	-38.39	348.19	10.01	-28.38
CC1=C(Br)SC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493590	0	40	0.0	-28.80	339.73	10.15	-18.65
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018493591	0	43	0.0	-33.97	359.19	10.74	-23.23
CS(=O)(=O)N1CCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC1	REAL300018493592	0	48	0.0	-45.82	363.15	5.58	-40.24
COC1=CC(F)=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493593	0	44	0.0	-32.55	344.25	9.08	-23.47
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300018493594	0	50	0.0	-34.43	381.14	9.71	-24.72
COC1=CC=CC=C1N1CCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC1	REAL300018493595	0	56	0.0	-33.83	399.80	9.73	-24.10
CC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(Cl)=C1	REAL300018493596	0	43	0.0	-24.99	342.31	10.82	-14.17
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018493597	0	42	0.0	-41.58	348.04	10.72	-30.86
O=C([O-])C(CC1CC=CCC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018493598	0	43	0.0	-39.40	348.15	10.89	-28.51
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300018493599	0	60	0.0	-31.34	462.60	14.55	-16.79
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300018493600	0	53	0.0	-35.79	412.67	11.46	-24.33
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493601	0	46	0.0	-43.59	368.73	11.45	-32.14
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])S2)C=C1	REAL300018493602	0	49	0.0	-35.45	393.48	11.22	-24.23
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018493603	0	45	0.0	-31.72	364.70	10.76	-20.96
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018493604	0	45	0.0	-29.40	362.09	10.64	-18.76
CS(=O)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493605	0	45	0.0	-38.25	360.43	8.31	-29.94
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018493606	0	47	0.0	-37.58	384.25	11.81	-25.77
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])O1	REAL300018493607	0	50	0.0	-30.40	396.67	12.39	-18.01
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])O2)C=C1	REAL300018493608	0	53	0.0	-35.23	412.64	13.07	-22.16
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018493609	0	50	0.0	-29.82	370.06	12.17	-17.65
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018493610	0	59	0.0	-27.50	394.54	13.04	-14.46
CC1=CC=C(C(C)C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493611	0	49	0.0	-34.07	366.93	11.73	-22.34
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1C(C)(C)C	REAL300018493612	0	56	0.0	-30.63	408.03	11.66	-18.97
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493613	0	53	0.0	-30.07	390.05	10.90	-19.17
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493614	0	45	0.0	-39.78	362.40	4.67	-35.11
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018493615	0	47	0.0	-37.81	353.60	11.74	-26.07
CCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C)=C1	REAL300018493616	0	50	0.0	-34.33	372.63	10.34	-23.99
COC1=CC(C)=CC=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493617	0	47	0.0	-26.88	357.75	9.73	-17.15
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493618	0	42	0.0	-30.65	349.80	8.82	-21.83
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018493619	0	50	0.0	-35.67	360.72	11.53	-24.14
COCC1=CSC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493620	0	44	0.0	-36.28	355.42	8.44	-27.84
CCCC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])S1	REAL300018493621	0	46	0.0	-30.62	362.45	11.14	-19.48
CC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018493622	0	45	0.0	-39.66	341.99	10.70	-28.96
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1Br	REAL300018493623	0	43	0.0	-32.49	349.00	10.94	-21.55
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1Cl	REAL300018493624	0	44	0.0	-34.30	355.19	9.61	-24.69
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018493625	0	47	0.0	-37.31	368.40	10.87	-26.44
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018493626	0	39	0.0	-37.53	333.12	7.93	-29.60
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018493627	0	47	0.0	-32.14	354.48	8.93	-23.21
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018493628	0	44	0.0	-34.95	348.06	11.35	-23.60
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018493629	0	45	0.0	-33.67	349.31	6.95	-26.72
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018493630	0	43	0.0	-35.74	350.54	10.47	-25.27
CC1=CC=CN2C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CN=C12	REAL300018493631	0	46	0.0	-36.18	357.85	10.78	-25.40
CN1C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CN=C1Br	REAL300018493632	0	40	0.0	-33.91	327.68	8.42	-25.49
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018493633	0	46	0.0	-43.03	368.83	9.64	-33.39
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018493634	0	40	0.0	-36.50	330.62	7.09	-29.41
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018493635	0	44	0.0	-39.47	345.45	9.54	-29.93
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018493636	0	44	0.0	-38.25	348.19	9.62	-28.63
CCOC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=N1	REAL300018493637	0	46	0.0	-29.98	356.07	7.12	-22.86
CC1=C(Cl)C=CC=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493638	0	43	0.0	-33.41	333.54	10.43	-22.98
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018493639	0	42	0.0	-35.54	341.93	9.34	-26.20
CC1=CC=CC2=NC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])N21	REAL300018493640	0	46	0.0	-33.78	345.57	10.53	-23.25
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493641	0	52	0.0	-34.71	386.42	10.54	-24.17
CC1=CC(Cl)=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493642	0	43	0.0	-32.82	346.47	10.88	-21.94
COCC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493643	0	47	0.0	-36.66	364.87	9.32	-27.34
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018493644	0	45	0.0	-36.28	357.07	10.20	-26.08
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC2=CC=CN=C12	REAL300018493645	0	48	0.0	-36.67	370.90	10.94	-25.73
CCCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1C	REAL300018493646	0	53	0.0	-31.84	402.44	11.52	-20.32
COC1=C(C)C=NC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1C	REAL300018493647	0	49	0.0	-26.57	367.70	8.41	-18.16
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493648	0	50	0.0	-37.02	383.65	11.22	-25.80
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])S1	REAL300018493649	0	43	0.0	-38.95	360.06	6.21	-32.74
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018493650	0	42	0.0	-32.52	353.80	9.14	-23.38
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])O2)C=C1	REAL300018493651	0	59	0.0	-32.72	446.24	13.82	-18.90
CC1CC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CCN1CC1=CC=CC=C1	REAL300018493652	0	58	0.0	-31.78	410.76	10.41	-21.37
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018493653	0	43	0.0	-32.71	342.38	10.64	-22.07
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018493654	0	42	0.0	-33.17	346.60	7.50	-25.67
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC(Cl)=CS1	REAL300018493655	1	36	0.0	-30.01	308.82	7.09	-22.92
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018493656	0	43	0.0	-35.55	355.10	10.57	-24.98
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018493657	0	45	0.0	-33.85	347.27	10.03	-23.82
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493658	0	58	0.0	-37.53	442.72	14.31	-23.22
CCN(CC)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1F	REAL300018493659	0	54	0.0	-31.51	408.80	10.89	-20.62
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C(SC)C=C1OC	REAL300018493660	0	52	0.0	-32.68	404.20	9.74	-22.94
CN(C)C1=CC=C(N2CCC([NH2+]C(CC3CC=CCC3)C(=O)[O-])CC2)C=C1	REAL300018493661	0	60	0.0	-33.99	421.23	10.45	-23.54
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493662	0	51	0.0	-28.95	383.01	12.21	-16.74
CC1CC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018493663	0	56	0.0	-29.50	396.39	13.27	-16.23
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018493664	0	42	0.0	-37.91	347.89	9.11	-28.80
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC2=CC=CC=C21	REAL300018493665	0	50	0.0	-33.47	382.81	11.32	-22.15
CCOC1=CN=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493666	0	46	0.0	-32.74	354.62	8.12	-24.62
CCOC1=CC(F)=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493667	0	47	0.0	-32.98	367.43	10.05	-22.93
COC1=CC=C(C(C)C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493668	0	50	0.0	-38.67	372.57	10.11	-28.56
CN1N=C(C2CC2)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493669	0	47	0.0	-33.49	360.56	9.37	-24.12
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018493670	0	56	0.0	-32.24	376.12	11.58	-20.66
CC([NH2+]C(CC1CC=CCC1)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018493671	0	49	0.0	-33.02	347.93	11.13	-21.89
COC1=CC=CC2=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=CC=C12	REAL300018493672	0	50	0.0	-34.47	372.21	10.89	-23.58
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018493673	0	47	0.0	-29.89	360.75	9.70	-20.19
CC(CCC1=CC=CN=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493674	0	48	0.0	-35.70	359.91	10.04	-25.66
CC(C)C1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493675	0	49	0.0	-29.97	368.56	11.64	-18.33
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018493677	0	51	0.0	-37.02	387.66	12.60	-24.42
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018493678	0	54	0.0	-35.02	362.86	9.33	-25.69
COC1=CN=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1C	REAL300018493679	0	46	0.0	-36.08	348.40	7.76	-28.32
O=C([O-])C(CC1CC=CCC1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018493680	0	43	0.0	-37.26	351.48	10.84	-26.42
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018493681	0	42	0.0	-33.95	329.79	8.32	-25.63
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018493682	0	40	0.0	-34.36	340.67	9.90	-24.46
CC1=C2C=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])NC2=CC=C1	REAL300018493683	0	47	0.0	-35.47	359.89	10.11	-25.36
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018493684	0	40	0.0	-38.29	337.81	9.67	-28.62
CCCOC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C)=C1	REAL300018493685	0	53	0.0	-32.77	394.68	11.17	-21.60
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OC1CC1	REAL300018493686	0	52	0.0	-34.61	398.12	10.58	-24.03
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018493687	0	53	0.0	-32.30	365.43	11.26	-21.04
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018493688	0	42	0.0	-38.62	339.43	8.68	-29.94
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018493689	0	50	0.0	-30.53	358.30	11.64	-18.89
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018493691	0	50	0.0	-32.67	357.70	11.68	-20.99
CC([NH2+]C(CC1CC=CCC1)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018493692	0	52	0.0	-27.37	393.57	12.04	-15.33
CCC1(CC)CCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC1	REAL300018493693	0	55	0.0	-31.61	369.88	10.95	-20.66
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018493694	0	48	0.0	-31.89	351.47	9.43	-22.46
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018493695	0	47	0.0	-37.97	365.40	11.77	-26.20
CC(CC1=COC2=CC=CC=C12)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493696	0	49	0.0	-37.90	370.86	11.43	-26.47
NS(=O)(=O)C1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493697	0	45	0.0	-36.54	362.51	4.67	-31.87
CC1=CC=C2C=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])NC2=C1	REAL300018493698	0	47	0.0	-36.82	363.15	10.21	-26.61
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018493699	0	39	0.0	-29.42	334.87	8.06	-21.36
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018493700	0	56	0.0	-31.48	392.57	13.13	-18.35
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018493701	0	42	0.0	-34.29	329.83	7.00	-27.29
CC1=CC(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=C2)=CC(C)=C1	REAL300018493702	0	56	0.0	-36.73	426.83	14.33	-22.40
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018493703	0	49	0.0	-40.56	378.58	13.21	-27.35
CC(C)(C)C1CCCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC1	REAL300018493704	0	58	0.0	-34.59	385.54	11.34	-23.25
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018493705	0	43	0.0	-34.80	344.31	10.20	-24.60
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018493706	0	47	0.0	-40.90	371.35	10.07	-30.83
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018493707	0	47	0.0	-36.64	370.90	7.82	-28.82
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(Br)=C1	REAL300018493708	0	44	0.0	-25.96	355.28	9.59	-16.37
COCC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493709	0	47	0.0	-31.54	363.40	9.44	-22.10
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493710	0	50	0.0	-38.96	404.98	11.91	-27.05
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018493712	0	51	0.0	-37.67	410.41	13.69	-23.98
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493713	0	57	0.0	-40.29	420.67	10.89	-29.40
COC1=CC(C)=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OC	REAL300018493714	0	51	0.0	-34.24	378.12	9.17	-25.07
CC1=C(Br)C=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])S1	REAL300018493715	0	40	0.0	-32.77	339.56	10.02	-22.75
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1COC1=CC=CC=C1	REAL300018493716	0	58	0.0	-36.03	446.28	12.44	-23.59
COC1=CC=C(N2C=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=N2)C=C1	REAL300018493717	0	51	0.0	-34.06	395.68	10.18	-23.88
CC(CCC1=CSC=C1)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493718	0	46	0.0	-33.09	351.16	10.68	-22.41
COCCC1=CC=C(OCC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493719	0	57	0.0	-34.11	424.70	10.57	-23.54
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493720	0	50	0.0	-36.28	397.65	12.02	-24.26
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493721	0	55	0.0	-33.59	428.88	12.94	-20.65
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018493722	0	53	0.0	-31.62	393.40	13.23	-18.39
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018493723	0	46	0.0	-33.69	364.42	7.95	-25.74
CN1N=CC2=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CN=C21	REAL300018493724	0	45	0.0	-43.44	354.33	8.74	-34.70
CSC1=CC(Br)=CC=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493725	0	44	0.0	-26.45	366.52	11.29	-15.16
CN1CCN(C2=NC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=N2)CC1	REAL300018493726	0	55	0.0	-34.73	410.73	7.96	-26.77
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018493727	0	51	0.0	-36.23	397.98	13.05	-23.18
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018493728	0	53	0.0	-29.14	405.92	11.22	-17.92
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493729	0	49	0.0	-40.86	394.88	11.09	-29.77
CC1CCC2=C(C1)SC(C[NH2+]C(CC1CC=CCC1)C(=O)[O-])=N2	REAL300018493730	1	49	0.0	-27.36	378.83	10.10	-17.26
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2COCCC2C1	REAL300018493731	0	51	0.0	-30.26	354.03	9.27	-20.99
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018493732	0	48	0.0	-33.52	350.58	9.93	-23.59
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018493733	0	47	0.0	-36.25	351.94	10.89	-25.36
CN1C=NC2=CC=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=C21	REAL300018493734	0	46	0.0	-33.49	344.71	10.87	-22.62
COC1=CC=C(C)C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493735	0	47	0.0	-36.44	354.22	9.51	-26.93
CC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C)=C1C	REAL300018493738	0	49	0.0	-32.20	356.03	11.22	-20.98
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018493739	0	50	0.0	-34.80	365.57	10.14	-24.66
COC1=CC=C2SC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CC2=C1	REAL300018493740	0	47	0.0	-31.58	376.49	10.58	-21.00
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018493741	1	46	0.0	-43.20	364.86	10.76	-32.44
CCN1CCC2=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=CC=C21	REAL300018493742	0	52	0.0	-34.07	379.63	9.66	-24.41
CC1(C)CC2(CO1)CCC([NH2+]C(CC1CC=CCC1)C(=O)[O-])CC2	REAL300018493743	0	57	0.0	-36.47	391.40	10.18	-26.29
CSC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1Cl	REAL300018493744	0	44	0.0	-31.67	363.56	11.18	-20.49
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1C1CC1	REAL300018493745	0	50	0.0	-30.56	375.36	12.33	-18.23
COC1=CC=CC2=C1CCCC([NH2+]C(CC1CC=CCC1)C(=O)[O-])C2	REAL300018493746	0	54	0.0	-30.34	381.68	11.04	-19.30
CCOC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=N1	REAL300018493747	0	46	0.0	-35.82	357.28	7.36	-28.46
CC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1C1CC1	REAL300018493748	0	50	0.0	-29.93	375.37	12.33	-17.60
CC1=NN(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C(C)=C2)C=C1	REAL300018493749	0	53	0.0	-36.13	402.15	11.92	-24.21
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018493750	0	46	0.0	-36.32	378.17	11.40	-24.92
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493751	0	50	0.0	-36.56	400.20	11.91	-24.65
CC1=NN(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=C2)C=C1Cl	REAL300018493752	0	50	0.0	-40.68	403.89	11.79	-28.89
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018493753	1	50	0.0	-34.77	379.63	6.13	-28.64
CC1OC2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=C2C1C	REAL300018493754	0	51	0.0	-35.27	380.58	10.63	-24.64
CC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OC(F)F	REAL300018493755	0	47	0.0	-35.41	367.66	10.04	-25.37
CC(C)C1=CC=C(O)C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493756	0	50	0.0	-36.63	377.79	8.92	-27.71
CC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])NN=C1C(F)(F)F	REAL300018493757	0	43	0.0	-37.12	344.76	7.47	-29.65
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018493758	1	43	0.0	-36.82	342.89	8.76	-28.06
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018493759	0	46	0.0	-31.97	356.51	8.42	-23.55
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018493760	0	45	0.0	-31.42	345.51	9.60	-21.82
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018493761	1	47	0.0	-27.72	351.18	8.78	-18.94
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018493762	0	48	0.0	-35.14	360.90	9.61	-25.53
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018493763	0	48	0.0	-36.48	373.94	9.60	-26.88
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018493764	0	54	0.0	-36.54	408.38	11.39	-25.15
CSC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493765	0	44	0.0	-29.79	348.55	10.73	-19.06
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018493766	0	47	0.0	-36.17	358.17	11.65	-24.52
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018493767	0	47	0.0	-36.03	370.02	11.97	-24.06
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018493768	0	47	0.0	-28.64	374.75	12.00	-16.64
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018493769	0	48	0.0	-33.32	368.76	10.68	-22.64
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018493770	0	44	0.0	-27.82	359.75	9.52	-18.30
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018493771	0	46	0.0	-30.91	379.54	11.59	-19.32
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C)=C1	REAL300018493772	0	53	0.0	-38.28	401.63	12.61	-25.67
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=C2)C=N1	REAL300018493773	0	53	0.0	-40.45	404.70	13.13	-27.32
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018493774	0	54	0.0	-30.61	403.29	13.74	-16.87
CC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300018493776	0	46	0.0	-33.19	364.51	10.82	-22.37
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493777	0	46	0.0	-44.60	367.17	11.44	-33.16
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493778	0	50	0.0	-35.74	387.13	10.64	-25.10
CC(C)(C)C1=CN=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493779	0	51	0.0	-33.61	380.91	10.25	-23.36
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300018493780	0	43	0.0	-33.61	364.80	11.64	-21.97
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018493781	0	43	0.0	-36.14	352.30	8.67	-27.47
CN1C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=NC2=C1CCCC2	REAL300018493782	1	50	0.0	-37.59	372.27	10.42	-27.17
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018493783	0	45	0.0	-30.67	348.13	9.95	-20.72
COC1=NC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1C	REAL300018493784	0	46	0.0	-36.08	356.82	7.14	-28.94
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018493785	0	43	0.0	-37.17	344.06	10.58	-26.59
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018493786	0	48	0.0	-32.47	355.68	9.75	-22.72
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493787	0	47	0.0	-30.62	373.78	10.33	-20.29
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018493788	0	47	0.0	-29.08	353.83	10.58	-18.50
CCC(C)N1N=CC=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493789	0	49	0.0	-33.88	370.80	9.38	-24.50
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018493790	0	53	0.0	-31.01	392.86	10.76	-20.25
COC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300018493791	0	56	0.0	-30.87	400.28	11.26	-19.61
CN1C=C(Br)N=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493792	0	40	0.0	-39.76	330.87	8.60	-31.16
COC1=CC(C)=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=N1	REAL300018493793	0	46	0.0	-31.39	348.70	6.98	-24.41
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018493794	1	42	0.0	-34.41	341.22	9.20	-25.21
COC1=CC=CC(C2CC([NH2+]C(CC3CC=CCC3)C(=O)[O-])C2)=C1	REAL300018493795	0	51	0.0	-37.94	382.49	10.68	-27.26
CC1=NOC(C2CC([NH2+]C(CC3CC=CCC3)C(=O)[O-])C2)=N1	REAL300018493796	0	45	0.0	-36.16	348.86	7.24	-28.92
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(C2CCOCC2)C1	REAL300018493797	0	51	0.0	-37.04	367.58	9.19	-27.85
O=C([O-])C(CC1CC=CCC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018493798	0	47	0.0	-37.17	366.62	9.70	-27.47
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018493799	0	53	0.0	-33.08	398.05	13.04	-20.04
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493800	0	50	0.0	-35.21	405.74	10.53	-24.68
COC1=CC=C(CC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C)=C1	REAL300018493801	0	53	0.0	-34.79	375.53	10.29	-24.50
CCC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=NN1CC	REAL300018493802	0	49	0.0	-37.66	369.97	9.46	-28.20
CC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300018493803	0	43	0.0	-35.29	347.23	9.48	-25.81
CC(F)(F)C1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493804	0	46	0.0	-30.43	361.54	11.24	-19.19
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018493805	0	46	0.0	-39.01	370.11	10.30	-28.71
COC1=CC=C(CCC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])C(C)=C1	REAL300018493806	0	56	0.0	-34.48	404.10	11.71	-22.77
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC2CCCCCC2C1	REAL300018493807	0	53	0.0	-31.01	362.88	11.36	-19.65
CC1CCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])CC2=CC=CC=C21	REAL300018493808	0	53	0.0	-30.89	365.17	11.84	-19.05
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018493809	0	47	0.0	-35.04	372.55	11.95	-23.09
CCOC1=CC(CCC(C)[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1O	REAL300018493810	0	57	0.0	-36.60	427.20	9.87	-26.73
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018493811	0	46	0.0	-32.50	363.82	12.31	-20.19
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1	REAL300018493812	0	51	0.0	-34.30	414.96	13.11	-21.19
COC1=CC=CC(OC2=CC=C(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])C=C2)=C1	REAL300018493813	0	55	0.0	-36.97	427.75	11.91	-25.06
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493814	0	55	0.0	-37.51	426.30	12.30	-25.21
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300018493815	0	44	0.0	-32.09	365.91	11.21	-20.88
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(OCC2=CC=C(Cl)C=C2)=C1	REAL300018493816	0	54	0.0	-31.31	435.37	13.48	-17.83
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018493817	0	48	0.0	-32.77	363.22	9.84	-22.93
CC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300018493818	0	46	0.0	-28.58	368.51	11.86	-16.72
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018493819	0	46	0.0	-35.99	362.85	7.88	-28.11
COC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1OCCO	REAL300018493820	0	52	0.0	-36.44	400.31	6.75	-29.69
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018493821	0	45	0.0	-37.87	348.18	10.01	-27.86
COC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CC=C1OCC1CCCO1	REAL300018493822	0	59	0.0	-38.74	447.34	10.39	-28.35
CC1=CC2=CC=CC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=C2O1	REAL300018493823	0	46	0.0	-35.40	358.79	10.90	-24.50
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018493824	0	43	0.0	-28.38	352.49	10.74	-17.64
CC(C)OC1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1F	REAL300018493825	0	50	0.0	-32.80	383.84	10.64	-22.16
CC1=NN(C2CCCC2)C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1	REAL300018493826	0	53	0.0	-32.76	397.65	10.83	-21.93
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=NN1CC(F)F	REAL300018493827	0	43	0.0	-34.18	340.15	8.56	-25.62
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018493828	0	47	0.0	-35.12	373.58	11.00	-24.12
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018493829	0	47	0.0	-31.71	358.24	9.28	-22.43
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018493830	0	43	0.0	-36.76	346.91	8.61	-28.15
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018493831	0	44	0.0	-33.53	353.10	8.97	-24.56
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(Br)=CC2=CC=CN=C21	REAL300018493832	0	45	0.0	-31.49	369.26	10.85	-20.64
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018493833	0	50	0.0	-31.32	375.81	9.95	-21.37
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018493834	0	43	0.0	-39.38	340.82	9.91	-29.47
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018493835	0	43	0.0	-31.78	351.13	10.36	-21.42
COC1=CC=CC(CN2CCC([NH2+]C(CC3CC=CCC3)C(=O)[O-])CC2)=C1	REAL300018493836	0	59	0.0	-35.02	423.73	9.45	-25.57
COC1=CC=C2SC(C[NH2+]C(CC3CC=CCC3)C(=O)[O-])=NC2=C1	REAL300018493837	1	46	0.0	-41.14	371.00	8.31	-32.83
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CN=C2C=C(Br)C=CN12	REAL300018493838	0	43	0.0	-36.29	357.71	10.80	-25.49
CN1N=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1C1=CC=CO1	REAL300018493839	0	47	0.0	-32.47	368.81	8.85	-23.62
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018493840	0	56	0.0	-32.80	408.82	13.33	-19.47
CC1=NN(C2CCC2)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493841	0	50	0.0	-34.85	377.66	9.98	-24.87
COC1=CC=CC=C1C=CC[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493842	0	48	0.0	-32.87	368.93	10.40	-22.47
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018493843	0	48	0.0	-35.09	376.55	10.02	-25.07
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493844	0	47	0.0	-36.79	373.21	8.87	-27.92
CC(C)(C)N1CCCC([NH2+]C(CC2CC=CCC2)C(=O)[O-])C1	REAL300018493845	0	54	0.0	-29.86	366.05	8.30	-21.56
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018493846	0	53	0.0	-32.19	411.01	14.17	-18.02
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018493847	0	51	0.0	-36.91	396.01	11.02	-25.89
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018493848	0	49	0.0	-29.25	379.15	11.35	-17.90
CC1=CC=C(C2CCC([NH2+]C(CC3CC=CCC3)C(=O)[O-])CC2)C=C1	REAL300018493849	0	56	0.0	-34.02	404.82	13.18	-20.84
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018493850	0	44	0.0	-33.55	371.68	10.10	-23.45
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300018493851	0	50	0.0	-34.16	396.91	12.54	-21.62
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018493852	0	43	0.0	-33.08	346.58	11.11	-21.97
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018493853	0	49	0.0	-35.46	378.96	11.42	-24.04
CC1=CC=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1C(F)(F)F	REAL300018493854	0	46	0.0	-34.45	343.36	11.17	-23.28
CCC(C)C1=CC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=C1	REAL300018493855	0	52	0.0	-33.02	385.65	12.11	-20.91
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC2(C1)CCOCC2	REAL300018493856	0	51	0.0	-38.17	359.92	8.82	-29.35
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493857	0	53	0.0	-27.52	409.03	12.27	-15.25
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018493858	0	50	0.0	-28.21	360.82	12.00	-16.21
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493859	0	47	0.0	-35.34	370.01	11.66	-23.68
COC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=CC(Br)=C1F	REAL300018493860	0	44	0.0	-31.71	366.21	9.67	-22.04
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018493861	0	46	0.0	-46.10	359.35	9.42	-36.68
CC1=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])C=CC2=CC=CC=C21	REAL300018493862	0	49	0.0	-33.79	364.03	12.27	-21.52
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493863	0	58	0.0	-32.41	432.24	11.17	-21.24
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC2=CC=CC=C2C(Br)=C1	REAL300018493864	0	46	0.0	-34.98	374.56	12.37	-22.61
COC1=C2C=CNC2=CC=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493865	0	48	0.0	-32.24	369.11	9.13	-23.11
O=C([O-])C(CC1CC=CCC1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018493866	0	53	0.0	-35.03	394.58	6.53	-28.50
CCCN1N=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=C1C	REAL300018493867	0	49	0.0	-39.11	372.80	9.50	-29.61
CC1=CC(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300018493868	0	49	0.0	-40.42	381.48	10.91	-29.51
O=C([O-])C(CC1CC=CCC1)[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018493869	0	50	0.0	-37.08	375.27	12.55	-24.53
CCCN1N=C(C)C=C1C[NH2+]C(CC1CC=CCC1)C(=O)[O-]	REAL300018493870	0	49	0.0	-32.01	368.20	9.38	-22.63
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CC=CCC2)C(=O)[O-])O1	REAL300018493871	1	48	0.0	-30.61	368.75	7.24	-23.37
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300018493872	0	44	0.0	-82.75	348.18	12.18	-70.57
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493873	0	51	0.0	-60.56	404.69	14.73	-45.83
CC1=C(C(=O)[O-])C=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493874	0	44	0.0	-71.56	350.93	11.29	-60.27
O=C([O-])C1=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=CO1	REAL300018493875	0	41	0.0	-48.67	327.04	10.46	-38.21
O=C([O-])C1=COC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493876	0	41	0.0	-66.53	332.21	10.51	-56.02
O=C([O-])CN1C=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)N=N1	REAL300018493877	0	43	0.0	-69.72	345.73	9.16	-60.56
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493878	0	41	0.0	-70.79	331.98	10.76	-60.03
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493879	0	41	0.0	-70.79	331.98	10.76	-60.03
CC(C)(CC[NH+]1CCC2(CC1)C(F)(F)C21CCC1)C(=O)[O-]	REAL300018493880	0	46	0.0	-63.71	344.27	11.04	-52.67
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)O2)C=C1	REAL300018493881	0	51	0.0	-82.69	409.11	14.12	-68.57
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)O2)C=C1	REAL300018493882	0	51	0.0	-82.69	409.11	14.12	-68.57
O=C([O-])C1=CC=CC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493883	0	44	0.0	-75.48	348.01	12.11	-63.37
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH+]1CCC2(CC1)C(F)(F)C21CCC1	REAL300018493884	0	51	0.0	-59.45	404.65	13.40	-46.05
O=C([O-])C1=NNC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493885	0	41	0.0	-74.11	330.06	8.78	-65.33
CC1=CC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=CC(C)=C1OCC(=O)[O-]	REAL300018493886	0	54	0.0	-85.14	420.85	13.84	-71.30
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH+]1CCC2(CC1)C(F)(F)C21CCC1	REAL300018493887	0	53	0.0	-74.02	405.75	11.52	-62.50
O=C([O-])COC1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300018493888	0	48	0.0	-81.08	379.26	12.45	-68.63
O=C([O-])COC1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300018493889	0	48	0.0	-81.08	379.26	12.45	-68.63
O=C([O-])C1=CC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=CS1	REAL300018493890	0	41	0.0	-71.83	338.81	11.19	-60.64
O=C([O-])C1=NOC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493891	0	40	0.0	-78.50	326.75	9.78	-68.72
O=C([O-])C1=CC=CC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=N1	REAL300018493892	0	43	0.0	-64.50	344.10	10.25	-54.25
O=C([O-])C1=NOC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493893	0	40	0.0	-78.50	326.75	9.78	-68.72
CC(OC1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C1)C(=O)[O-]	REAL300018493894	0	51	0.0	-81.94	397.14	13.05	-68.89
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C1	REAL300018493895	0	51	0.0	-82.33	407.68	12.17	-70.16
O=C([O-])C=CC1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493896	0	45	0.0	-82.20	366.47	10.37	-71.83
CC1=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C(C(=O)[O-])O1	REAL300018493897	0	44	0.0	-74.89	351.25	11.33	-63.56
CC1=C(C(=O)[O-])OC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493898	0	44	0.0	-72.07	350.66	11.41	-60.66
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=C1Cl	REAL300018493899	0	44	0.0	-81.90	360.43	12.50	-69.40
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C(C(F)(F)F)=C1	REAL300018493900	0	47	0.0	-72.71	376.37	13.11	-59.60
CN1C=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C(C(=O)[O-])=N1	REAL300018493901	0	44	0.0	-57.99	349.27	9.99	-48.00
CCC1=C(C(=O)[O-])C=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493902	0	47	0.0	-68.38	370.66	11.90	-56.48
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)N=C1	REAL300018493903	0	43	0.0	-69.68	343.70	10.75	-58.93
CN1N=C(C(=O)[O-])C=C1C[NH+]1CCC2(CC1)C(F)(F)C21CCC1	REAL300018493904	0	44	0.0	-85.87	344.57	9.73	-76.14
O=C([O-])CCC1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)O1	REAL300018493905	0	47	0.0	-70.48	373.98	12.16	-58.32
O=C([O-])C1=CC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=CC=C1F	REAL300018493906	0	44	0.0	-81.67	352.56	12.14	-69.53
O=C([O-])C1=CC2=C(SC(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)=C2)S1	REAL300018493907	0	44	0.0	-84.09	376.18	12.84	-71.25
O=C([O-])C1=C2N=CC(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)=CN2N=C1	REAL300018493908	0	46	0.0	-101.44	369.99	10.94	-90.50
O=C([O-])C1=CC=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C=N1	REAL300018493909	0	43	0.0	-85.27	343.67	10.24	-75.03
CC(OC1=CC=C(Cl)C=C1C[NH+]1CCC2(CC1)C(F)(F)C21CCC1)C(=O)[O-]	REAL300018493910	0	51	0.0	-54.55	413.58	13.65	-40.90
O=C([O-])C1=CC(F)=C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C(F)=C1	REAL300018493911	1	44	0.0	-65.94	356.97	12.16	-53.78
O=C([O-])C1=CN2C(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)=CN=C2C=C1	REAL300018493912	0	47	0.0	-66.04	371.09	12.45	-53.59
CC1=CC(C(=O)[O-])=NC=C1C[NH+]1CCC2(CC1)C(F)(F)C21CCC1	REAL300018493913	0	46	0.0	-85.22	359.98	10.95	-74.27
O=C([O-])[C@@H]1CC[C@H](C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C1	REAL300018493914	0	47	0.0	-70.48	352.17	11.90	-58.58
O=C([O-])C1=CN=C2C(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)=CC=CN12	REAL300018493915	0	47	0.0	-82.13	371.08	11.67	-70.46
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH+]3CCC4(CC3)C(F)(F)C43CCC3)=N2)C1	REAL300018493916	0	51	0.0	-66.43	395.94	11.77	-54.66
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)C1	REAL300018493917	0	51	0.0	-81.97	389.93	11.88	-70.09
O=C([O-])C1=CC(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=CC(C(F)(F)F)=C1	REAL300018493918	0	47	0.0	-73.96	387.02	13.12	-60.84
O=C([O-])C1=CC=C(O)C(C[NH+]2CCC3(CC2)C(F)(F)C32CCC2)=C1	REAL300018493919	0	45	0.0	-67.93	358.53	9.49	-58.44
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C3=CC=CC=C3C(=O)[O-])O1)=CC2	REAL300018493920	0	54	0.0	-65.43	415.34	13.65	-51.78
CC1=C(C(=O)[O-])C=C(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)O1	REAL300018493921	0	47	0.0	-69.76	360.38	10.12	-59.64
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCN(CC(=O)[O-])CC1)=CC2	REAL300018493922	0	52	0.0	-67.25	371.12	8.32	-58.93
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CN(CC(=O)[O-])N=N1)=CC2	REAL300018493923	0	46	0.0	-69.50	356.07	7.99	-61.51
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C3=CC=C(C(=O)[O-])C=C3)O1)=CC2	REAL300018493924	0	54	0.0	-83.21	419.26	13.00	-70.21
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C3=CC=C(C(=O)[O-])C=C3)O1)=CC2	REAL300018493925	0	54	0.0	-83.21	419.26	13.00	-70.21
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CN(C3=CC=CC=C3)N=C1C(=O)[O-])=CC2	REAL300018493926	0	54	0.0	-54.13	414.12	12.38	-41.75
CC1=CC(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300018493927	0	57	0.0	-83.01	434.48	12.97	-70.04
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCN(CCCC(=O)[O-])CC1)=CC2	REAL300018493928	1	58	0.0	-71.89	414.41	9.69	-62.20
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300018493929	0	56	0.0	-73.16	423.70	10.88	-62.28
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)=CC2	REAL300018493930	0	51	0.0	-78.88	390.21	11.41	-67.47
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)=CC2	REAL300018493931	0	51	0.0	-78.88	390.21	11.41	-67.47
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CSC(C(=O)[O-])=C1)=CC2	REAL300018493932	0	44	0.0	-70.99	349.69	10.19	-60.80
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCC(CC(=O)[O-])CC1)=CC2	REAL300018493933	0	53	0.0	-68.38	375.58	11.15	-57.23
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=CC(C(=O)[O-])=N1)=CC2	REAL300018493934	0	46	0.0	-70.32	355.00	9.31	-61.01
CC(OC1=CC=C(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1)C(=O)[O-]	REAL300018493935	0	54	0.0	-79.99	407.90	12.00	-67.99
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C1	REAL300018493936	0	54	0.0	-78.01	417.90	11.15	-66.86
CC1CC([NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)CCC1C(=O)[O-]	REAL300018493937	0	53	0.0	-63.54	371.46	11.29	-52.25
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C=CC(=O)[O-])O1)=CC2	REAL300018493938	0	48	0.0	-81.78	376.63	9.25	-72.53
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1)=CC2	REAL300018493939	0	53	0.0	-60.16	378.89	11.42	-48.74
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCC(C(F)(F)C(=O)[O-])C1)=CC2	REAL300018493940	0	50	0.0	-65.45	369.91	10.78	-54.67
CC1=C(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)C=C(C(=O)[O-])O1	REAL300018493941	0	47	0.0	-74.72	362.43	10.31	-64.41
CC1=C(C(=O)[O-])OC(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)=C1	REAL300018493942	0	47	0.0	-71.10	360.09	10.24	-60.86
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1)=CC2	REAL300018493943	0	47	0.0	-80.34	371.83	11.54	-68.80
CC(CC(C)(C)CC(=O)[O-])[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300018493944	0	55	0.0	-59.31	378.06	11.32	-47.99
CC1C(CC(=O)[O-])CCC1[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300018493945	0	53	0.0	-68.38	375.67	11.13	-57.25
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F)=CC2	REAL300018493946	0	50	0.0	-77.33	387.75	12.20	-65.13
CN1C=C(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)C(C(=O)[O-])=N1	REAL300018493947	0	47	0.0	-53.69	359.27	8.98	-44.71
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1)=CC2	REAL300018493948	0	47	0.0	-78.95	375.57	11.63	-67.32
CCC1=C(C(=O)[O-])C=C(C[NH2+]CCC2=CC[C@H]3C[C@@H]2C3(C)C)O1	REAL300018493949	0	50	0.0	-70.18	381.87	10.89	-59.29
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CCCC(CCCC(=O)[O-])C1)=CC2	REAL300018493950	0	59	0.0	-73.85	419.27	12.68	-61.17
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300018493951	0	58	0.0	-71.76	411.64	12.08	-59.68
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)=CC2	REAL300018493952	0	57	0.0	-70.34	438.64	12.75	-57.59
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C(=O)[O-])C=N1)=CC2	REAL300018493953	0	46	0.0	-71.73	354.47	9.32	-62.41
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]C1CC(C(=O)[O-])(C3=CC=CC=C3)C1)=CC2	REAL300018493954	0	54	0.0	-60.00	398.46	12.59	-47.41
CN1N=C(C(=O)[O-])C=C1C[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300018493955	0	47	0.0	-83.35	361.18	8.81	-74.54
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(CCC(=O)[O-])O1)=CC2	REAL300018493956	0	50	0.0	-71.05	384.12	11.03	-60.02
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1)=CC2	REAL300018493957	0	47	0.0	-78.78	363.87	11.17	-67.61
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC3=C(S1)SC(C(=O)[O-])=C3)=CC2	REAL300018493958	0	47	0.0	-82.05	387.57	11.84	-70.21
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CN3N=CC(C(=O)[O-])=C3N=C1)=CC2	REAL300018493959	0	49	0.0	-99.40	382.13	10.10	-89.30
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=C(C(=O)[O-])N=C1)=CC2	REAL300018493960	0	46	0.0	-83.67	354.87	9.34	-74.33
CC(OC1=CC=C(Cl)C=C1C[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C)C(=O)[O-]	REAL300018493961	0	54	0.0	-48.65	423.63	12.57	-36.08
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=C(F)C=C(C(=O)[O-])C=C1F)=CC2	REAL300018493962	0	47	0.0	-64.86	369.73	11.18	-53.68
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CN=C3C=CC(C(=O)[O-])=CN13)=CC2	REAL300018493963	0	50	0.0	-63.97	386.18	11.57	-52.40
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CCC1=CC[C@H]2C[C@@H]1C2(C)C	REAL300018493964	0	49	0.0	-84.04	370.29	9.97	-74.07
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=CN3C(C(=O)[O-])=CN=C13)=CC2	REAL300018493965	0	50	0.0	-80.71	385.00	10.86	-69.85
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br)=CC2	REAL300018493966	0	47	0.0	-66.55	370.54	11.57	-54.98
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C1)=CC2	REAL300018493967	0	54	0.0	-70.25	406.09	10.73	-59.52
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1)=CC2	REAL300018493968	0	54	0.0	-81.67	406.76	11.04	-70.63
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1)=CC2	REAL300018493969	0	50	0.0	-71.59	398.21	12.13	-59.46
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC(C(=O)[O-])=CC=C1O)=CC2	REAL300018493970	0	48	0.0	-67.70	367.85	8.44	-59.26
CC1(C)[C@@H]2C[C@H]1C(CC[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1)=CC2	REAL300018493971	0	47	0.0	-70.34	380.45	11.74	-58.60
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2CC=CCO2)O1	REAL300018493972	0	42	0.0	-65.63	343.88	9.37	-56.26
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CC2CC=CCO2)C=C1	REAL300018493973	0	49	0.0	-68.44	397.62	10.21	-58.23
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3CC=CCO3)O2)C=C1	REAL300018493974	0	42	0.0	-82.29	347.64	8.70	-73.59
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3CC=CCO3)O2)C=C1	REAL300018493975	0	42	0.0	-82.29	347.64	8.70	-73.59
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1CC=CCO1	REAL300018493976	0	42	0.0	-51.22	342.22	8.12	-43.10
CC1=CC(C[NH2+]CC2CC=CCO2)=CC(C)=C1OCC(=O)[O-]	REAL300018493977	0	45	0.0	-81.26	360.57	8.58	-72.68
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2CC=CCO2)C=C1	REAL300018493978	0	42	0.0	-74.96	346.28	6.85	-68.11
O=C([O-])C1=CC=C(C[NH2+]CC2CC=CCO2)C(C(F)(F)F)=C1	REAL300018493979	0	38	0.0	-74.21	315.86	7.95	-66.26
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CC2CC=CCO2)=C1	REAL300018493980	0	42	0.0	-51.34	359.97	8.52	-42.82
O=C([O-])C1=CC=C(C[NH2+]CC2CC=CCO2)C=C1Br	REAL300018493981	0	35	0.0	-77.63	303.68	7.37	-70.26
O=C([O-])CN1C=C(C[NH2+]CC2CC=CCO2)C(C2=CC=CC=C2)=N1	REAL300018493982	0	45	0.0	-69.28	366.61	8.49	-60.79
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3CC=CCO3)=C2)S1	REAL300018493983	0	35	0.0	-80.16	315.67	7.57	-72.59
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC1CC=CCO1)C(=O)[O-]	REAL300018493984	0	42	0.0	-48.88	351.82	8.26	-40.62
O=C([O-])C1=CN2C(C[NH2+]CC3CC=CCO3)=CN=C2C(Br)=C1	REAL300018493985	0	38	0.0	-65.93	335.86	7.83	-58.10
O=C([O-])C1=CC=CC(C[NH2+]CC2CC=CCO2)=C1Br	REAL300018493986	0	35	0.0	-63.84	298.98	7.26	-56.58
O=C([O-])C1=CC(C[NH2+]CC2CC=CCO2)=CC(C(F)(F)F)=C1	REAL300018493987	0	38	0.0	-71.67	326.41	7.83	-63.84
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]CC3CC=CCO3)=CN=C12	REAL300018493988	0	38	0.0	-86.61	335.93	8.04	-78.57
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]CC2CC=CCO2)C1	REAL300018493989	0	42	0.0	-51.76	350.37	9.02	-42.74
O=C([O-])C1=CC(Br)=CC(C[NH2+]CC2CC=CCO2)=C1	REAL300018493990	0	35	0.0	-67.98	308.72	7.48	-60.50
CC1(C)[C@@H]2C[C@H]([NH2+]CC3=CC=C(C4=CC=CC=C4C(=O)[O-])O3)C[C@@H]21	REAL300018493991	0	47	0.0	-63.57	365.64	11.92	-51.65
CC1(C)[C@@H]2C[C@H]([NH2+]CC3=CC=CC=C3OCC3=CC=C(C(=O)[O-])C=C3)C[C@@H]21	REAL300018493992	0	54	0.0	-73.35	419.07	12.73	-60.62
CC1(C)[C@@H]2C[C@H]([NH2+]CC3=CC=C(C4=CC=C(C(=O)[O-])C=C4)O3)C[C@@H]21	REAL300018493993	0	47	0.0	-80.93	369.39	11.26	-69.67
CC1(C)[C@@H]2C[C@H]([NH2+]CC3=CC=C(C4=CC=C(C(=O)[O-])C=C4)O3)C[C@@H]21	REAL300018493994	0	47	0.0	-80.93	369.39	11.26	-69.67
CC1(C)[C@@H]2C[C@H]([NH2+]CC3=CN(C4=CC=CC=C4)N=C3C(=O)[O-])C[C@@H]21	REAL300018493995	0	47	0.0	-50.95	363.99	10.61	-40.34
CC1=CC(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300018493996	0	50	0.0	-80.38	382.24	11.11	-69.27
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C	REAL300018493997	0	49	0.0	-70.30	372.49	9.08	-61.22
CC(OC1=CC=C(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1)C(=O)[O-]	REAL300018493998	0	47	0.0	-76.67	357.94	10.25	-66.42
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(C)C)C=C1	REAL300018493999	0	47	0.0	-74.92	367.79	9.39	-65.53
CC1(C)[C@@H]2C[C@H]([NH2+]C3CCCC(C(F)(F)C(=O)[O-])C3)C[C@@H]21	REAL300018494000	0	46	0.0	-57.03	328.61	9.68	-47.35
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1F	REAL300018500230	0	48	0.0	-34.78	356.02	11.04	-23.74
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018500232	0	47	0.0	-29.79	360.56	11.13	-18.66
CC1(C)CC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC(C)(C)C1	REAL300018500233	0	60	0.0	-34.59	403.29	11.63	-22.96
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018500234	0	52	0.0	-39.83	385.27	12.31	-27.52
CC(CCC1=CNC2=CC=CC=C12)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500235	0	58	0.0	-35.86	416.73	12.37	-23.49
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(Cl)=C1OC	REAL300018500236	0	53	0.0	-32.03	402.02	9.99	-22.04
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018500237	0	52	0.0	-40.50	400.91	12.95	-27.55
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018500238	0	48	0.0	-48.45	371.27	11.85	-36.60
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500239	0	55	0.0	-40.36	403.14	11.16	-29.20
CCCCCCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500240	0	67	0.0	-39.56	492.39	14.49	-25.07
CC(C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018500241	0	66	0.0	-50.27	467.00	14.66	-35.61
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1F	REAL300018500242	0	48	0.0	-38.66	356.35	11.00	-27.66
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018500243	0	49	0.0	-48.70	365.25	10.31	-38.39
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018500244	0	44	0.0	-61.44	353.92	10.11	-51.33
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018500245	0	58	0.0	-30.46	408.26	9.64	-20.82
CC(C)CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500246	0	57	0.0	-36.75	414.68	13.02	-23.73
CC1=CC=C(C2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=C2)C=C1	REAL300018500247	0	58	0.0	-38.97	429.16	14.42	-24.55
CC1=CC(C)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500248	0	51	0.0	-34.72	372.11	11.65	-23.07
COC1=CC=C(Br)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500249	0	49	0.0	-34.68	374.61	10.17	-24.51
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1[N+](=O)[O-]	REAL300018500250	0	51	0.0	-64.01	389.40	11.05	-52.96
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018500251	0	45	0.0	-37.22	362.76	11.34	-25.88
CC1=CC=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500252	0	51	0.0	-45.44	366.93	11.38	-34.06
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500253	0	58	0.0	-49.22	429.92	14.39	-34.83
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018500254	0	49	0.0	-52.37	373.14	9.89	-42.48
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OCC	REAL300018500255	0	59	0.0	-40.80	432.09	11.34	-29.46
CC(C)C1CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500256	0	57	0.0	-35.21	370.64	11.24	-23.97
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018500257	0	48	0.0	-55.87	385.77	11.72	-44.15
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018500258	0	45	0.0	-29.63	348.12	10.80	-18.83
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018500259	0	48	0.0	-45.24	368.90	9.42	-35.82
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018500260	0	50	0.0	-38.36	362.53	10.44	-27.92
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018500261	0	49	0.0	-42.24	379.51	10.13	-32.11
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500262	0	51	0.0	-48.87	394.24	7.86	-41.01
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500263	0	59	0.0	-38.51	437.51	13.39	-25.12
CC(CCOCC1=CC=CC=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500264	0	58	0.0	-50.05	424.54	11.69	-38.36
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018500265	0	52	0.0	-37.56	383.15	12.26	-25.30
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018500266	0	55	0.0	-37.98	420.23	14.26	-23.72
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018500267	0	55	0.0	-38.20	420.24	14.25	-23.95
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C2=CC=CC=C12	REAL300018500268	0	55	0.0	-49.50	403.17	11.81	-37.69
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500269	0	48	0.0	-36.66	363.26	10.99	-25.67
CN1C2=CC=CC=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500270	0	51	0.0	-37.05	380.88	10.69	-26.36
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018500271	0	50	0.0	-51.95	369.77	10.15	-41.80
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CSC(Br)=C1	REAL300018500272	0	42	0.0	-50.38	345.53	9.99	-40.39
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018500273	0	58	0.0	-40.65	438.46	11.91	-28.74
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018500274	0	58	0.0	-38.62	438.46	11.89	-26.73
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018500275	0	56	0.0	-51.44	407.80	10.22	-41.22
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500276	0	53	0.0	-59.48	407.46	7.02	-52.46
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018500277	0	49	0.0	-37.92	364.69	10.36	-27.56
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018500278	0	49	0.0	-39.22	360.99	10.33	-28.89
CC(CC1=CC=CS1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500279	0	48	0.0	-31.03	351.81	10.51	-20.52
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018500280	0	48	0.0	-48.44	373.10	9.43	-39.01
CC1=CC(F)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500281	0	48	0.0	-35.71	347.00	10.80	-24.91
CC1(C)CCC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=CC=C2O1	REAL300018500282	0	59	0.0	-50.36	424.48	12.13	-38.23
CC(CC(C)(C)C1=CC=CC=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500283	0	60	0.0	-35.90	404.93	12.86	-23.04
CN(C)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500284	0	53	0.0	-35.34	384.93	10.33	-25.01
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018500285	0	54	0.0	-43.01	402.74	11.97	-31.04
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018500286	0	54	0.0	-42.61	402.93	11.99	-30.62
CN1CCN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=C2)CC1	REAL300018500287	1	62	0.0	-37.04	438.85	9.01	-28.03
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500288	0	61	0.0	-48.91	438.10	7.86	-41.05
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018500289	0	54	0.0	-40.63	410.85	8.79	-31.84
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018500290	0	55	0.0	-42.88	390.71	7.87	-35.01
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018500291	0	60	0.0	-39.43	434.00	11.07	-28.36
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018500292	0	60	0.0	-37.57	432.47	10.92	-26.65
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018500293	0	59	0.0	-40.02	412.51	8.57	-31.45
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018500294	0	52	0.0	-39.12	394.87	11.58	-27.54
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018500295	0	52	0.0	-38.72	405.19	12.03	-26.69
CC(C)(C)N1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500296	0	54	0.0	-35.66	392.39	10.12	-25.54
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018500297	0	52	0.0	-43.05	404.47	11.03	-32.02
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018500299	0	49	0.0	-35.55	383.80	10.45	-25.10
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018500300	0	52	0.0	-40.49	413.87	13.62	-26.87
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300018500301	0	55	0.0	-46.48	408.92	8.83	-37.65
COC1=CC=CC(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500302	0	56	0.0	-40.97	400.33	9.01	-31.96
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018500303	0	55	0.0	-54.63	402.89	10.19	-44.44
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018500304	0	58	0.0	-39.21	435.44	11.84	-27.37
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018500305	0	58	0.0	-42.31	437.54	11.92	-30.39
CC(C)C1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500307	0	54	0.0	-35.15	392.64	9.92	-25.23
COCCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500308	0	56	0.0	-51.26	418.87	9.81	-41.45
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1Cl	REAL300018500309	0	49	0.0	-41.70	374.83	10.17	-31.53
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CC1=CC=CC=C1CC(C)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500417	0	54	0.0	-36.12	378.70	11.97	-24.15
CC1=CC=CC(CC(C)[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500418	0	54	0.0	-32.89	390.44	12.30	-20.59
COC1=CC2=C(C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)OCO2	REAL300018500419	0	52	0.0	-40.67	387.81	8.34	-32.33
COC1=CC(Cl)=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018500420	0	53	0.0	-39.68	400.25	9.97	-29.71
COC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)SC=C1	REAL300018500421	0	46	0.0	-35.21	353.63	8.75	-26.46
CC(C)COC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500422	0	58	0.0	-39.93	426.47	12.06	-27.87
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018500423	0	51	0.0	-51.37	380.37	12.49	-38.88
C=CCOC1=C(Cl)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018500424	0	57	0.0	-43.56	443.10	11.66	-31.90
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1CN1C=CC=N1	REAL300018500425	0	59	0.0	-53.96	446.09	11.29	-42.67
CC(C)COC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500426	0	58	0.0	-36.04	420.79	12.00	-24.04
CC1(C)CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=C2O1	REAL300018500427	0	56	0.0	-39.42	410.73	11.55	-27.87
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=NC=C1Cl	REAL300018500428	0	44	0.0	-43.85	357.33	9.37	-34.48
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018500429	0	51	0.0	-30.93	377.82	10.08	-20.85
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=NC=C1Br	REAL300018500430	0	44	0.0	-41.27	345.18	9.10	-32.17
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=NC=C1Cl	REAL300018500431	0	44	0.0	-41.98	341.60	9.01	-32.97
CC(C)(C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)N1CCOCC1	REAL300018500432	0	57	0.0	-35.13	383.32	7.26	-27.87
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018500433	0	45	0.0	-38.77	357.33	10.98	-27.79
CC(CC1=CC=C(F)C=C1Cl)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500434	0	51	0.0	-32.46	388.33	12.09	-20.37
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C2=CC=CC=C2)=N1	REAL300018500435	0	55	0.0	-38.54	396.72	10.94	-27.60
CCC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500436	0	49	0.0	-39.67	362.25	8.91	-30.76
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018500437	0	52	0.0	-51.45	392.29	11.51	-39.94
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300018500438	0	50	0.0	-30.84	382.59	11.62	-19.22
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018500439	0	50	0.0	-42.57	374.51	10.81	-31.76
CC1=C(Br)SC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500440	0	45	0.0	-49.16	365.38	10.75	-38.41
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018500441	0	48	0.0	-55.30	360.00	9.01	-46.29
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018500442	0	48	0.0	-43.15	359.79	9.03	-34.12
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018500443	0	48	0.0	-40.57	378.47	11.46	-29.11
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C2CCCN12	REAL300018500444	0	49	0.0	-35.44	355.31	9.90	-25.54
CS(=O)(=O)N1CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500445	0	53	0.0	-43.49	379.15	5.84	-37.65
COC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500446	0	49	0.0	-38.92	365.55	9.67	-29.25
CC(CC1=CN=CC=N1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500447	0	49	0.0	-33.20	352.07	7.69	-25.51
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500448	0	55	0.0	-40.40	401.25	10.25	-30.15
COC1=CC=CC=C1N1CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500449	0	61	0.0	-38.75	421.35	9.88	-28.87
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(Cl)=C1	REAL300018500450	0	48	0.0	-28.52	360.45	11.33	-17.19
COC1=CC=C(OC(F)F)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500451	0	53	0.0	-35.93	396.54	9.23	-26.70
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300018500452	0	49	0.0	-33.67	385.47	10.38	-23.29
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018500453	0	47	0.0	-48.80	374.21	11.38	-37.42
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018500454	0	48	0.0	-40.31	367.87	11.59	-28.72
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018500455	0	55	0.0	-41.85	384.40	12.37	-29.48
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1OC1=CC=CN=C1	REAL300018500456	0	58	0.0	-53.91	437.60	12.04	-41.87
CC1=CC=C(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)S2)C=C1	REAL300018500457	0	54	0.0	-39.52	419.94	12.04	-27.48
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018500458	0	50	0.0	-45.79	390.49	11.34	-34.45
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018500459	0	50	0.0	-33.02	382.33	11.22	-21.80
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018500460	0	50	0.0	-31.32	374.64	10.87	-20.45
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018500461	0	50	0.0	-46.50	380.20	10.90	-35.60
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018500462	0	50	0.0	-30.80	383.48	11.26	-19.54
CS(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500463	0	50	0.0	-41.83	381.51	8.92	-32.91
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018500464	0	47	0.0	-35.13	367.27	11.34	-23.79
CC(C)CCN1C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500465	0	58	0.0	-37.45	414.19	12.73	-24.72
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018500466	0	52	0.0	-38.85	408.28	12.40	-26.45
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018500467	0	55	0.0	-40.27	416.45	12.96	-27.31
CCC1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)O2)C=C1	REAL300018500468	0	58	0.0	-36.85	436.66	13.67	-23.18
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(OC(F)F)=C1	REAL300018500469	0	53	0.0	-43.13	400.93	9.26	-33.87
CC(C)C1CC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CCO1	REAL300018500470	0	55	0.0	-37.63	378.58	9.22	-28.41
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C2=CC=CC=C2)=N1	REAL300018500471	0	58	0.0	-42.24	428.21	12.40	-29.84
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018500472	0	55	0.0	-47.75	396.58	12.80	-34.95
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018500473	0	64	0.0	-34.34	421.95	13.02	-21.32
CC(C)CC(C)CC(C)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500474	0	59	0.0	-47.61	404.66	11.82	-35.79
CC1=CC=C(C(C)C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500475	0	54	0.0	-51.58	391.13	12.27	-39.31
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1C(C)(C)C	REAL300018500476	0	61	0.0	-49.57	434.55	12.29	-37.28
COCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018500477	0	49	0.0	-37.14	369.84	8.36	-28.78
CC(C)(C)OC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500478	0	58	0.0	-48.94	414.29	11.45	-37.49
CC(C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C1CCCCC1	REAL300018500479	0	57	0.0	-35.02	385.56	11.72	-23.30
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500480	0	50	0.0	-45.60	383.48	5.29	-40.31
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018500481	0	52	0.0	-34.56	374.60	12.02	-22.54
CCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018500482	0	55	0.0	-38.73	399.16	11.15	-27.58
COC1=CC(C)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500483	0	52	0.0	-30.44	378.73	10.35	-20.09
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018500484	0	55	0.0	-37.88	389.04	12.78	-25.10
NC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500485	0	47	0.0	-35.77	367.91	9.45	-26.32
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018500486	0	55	0.0	-39.40	394.46	12.53	-26.87
COCC1=CSC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500487	0	49	0.0	-37.10	375.16	9.13	-27.97
CCCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500488	0	51	0.0	-34.35	388.62	11.80	-22.55
CC(C)N1C=CN=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500489	0	51	0.0	-33.56	374.47	10.14	-23.42
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=CC=C1[N+](=O)[O-]	REAL300018500490	0	50	0.0	-57.82	371.48	11.44	-46.38
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1Br	REAL300018500491	0	48	0.0	-37.72	369.12	11.48	-26.24
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1Cl	REAL300018500492	0	49	0.0	-53.80	379.41	10.16	-43.64
COC1=CC=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500493	0	52	0.0	-29.92	374.83	10.16	-19.76
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018500494	0	48	0.0	-41.64	360.85	10.67	-30.97
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018500495	0	52	0.0	-42.37	388.18	11.45	-30.92
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018500496	0	44	0.0	-41.24	355.70	8.71	-32.53
CCC1=NN(C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500497	0	51	0.0	-36.50	371.35	9.35	-27.15
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018500498	0	52	0.0	-38.92	373.90	9.66	-29.26
CCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500499	0	51	0.0	-47.78	376.76	11.74	-36.04
COC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500500	0	45	0.0	-39.02	347.15	5.90	-33.12
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018500501	0	49	0.0	-38.25	367.77	11.72	-26.53
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018500502	0	50	0.0	-40.25	368.72	7.69	-32.56
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018500503	0	48	0.0	-51.75	377.44	11.25	-40.50
CC1=CC=CN2C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=CN=C12	REAL300018500504	0	51	0.0	-53.09	382.16	11.34	-41.75
CN1C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CN=C1Cl	REAL300018500505	0	45	0.0	-36.41	345.63	9.19	-27.22
CN1C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CN=C1Br	REAL300018500506	0	45	0.0	-36.18	349.92	9.22	-26.96
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018500507	0	51	0.0	-49.40	388.61	10.22	-39.18
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018500508	0	45	0.0	-57.12	354.94	7.64	-49.48
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018500509	0	49	0.0	-42.42	367.69	10.35	-32.07
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018500510	0	49	0.0	-39.49	367.59	10.33	-29.16
CCOC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300018500511	0	51	0.0	-35.14	382.56	7.93	-27.21
CC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500512	0	48	0.0	-48.67	362.70	11.37	-37.30
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018500513	0	47	0.0	-52.31	366.00	10.06	-42.25
CC1=CC=CC2=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)N21	REAL300018500514	0	51	0.0	-43.76	369.33	11.09	-32.67
CC(CCC1=NNC2=CC=CC=C21)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500515	0	57	0.0	-39.04	410.35	10.81	-28.23
C=CCCCCCC(C)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500516	0	57	0.0	-48.49	407.91	12.29	-36.20
CC1=CC(Cl)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500517	0	48	0.0	-35.02	367.77	11.47	-23.55
COCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500518	0	52	0.0	-36.87	384.36	10.06	-26.81
COCC(CC(C)(C)C)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500519	0	57	0.0	-34.42	388.68	9.92	-24.50
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018500520	0	50	0.0	-41.08	377.05	10.74	-30.34
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC2=CC=CN=C12	REAL300018500521	0	53	0.0	-44.39	394.75	11.53	-32.86
CC(C)C1CCCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018500522	0	57	0.0	-36.49	377.78	11.52	-24.97
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1C	REAL300018500523	0	58	0.0	-37.73	422.56	12.07	-25.66
COC1=C(C)C=NC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018500524	0	54	0.0	-31.05	391.76	9.10	-21.95
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500525	0	55	0.0	-47.45	407.80	11.94	-35.51
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCCC12CCCC2	REAL300018500526	0	58	0.0	-36.33	376.72	11.62	-24.71
CS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500527	0	48	0.0	-48.72	382.75	7.00	-41.72
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018500528	0	47	0.0	-33.68	373.53	9.84	-23.84
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)O2)C=C1	REAL300018500529	0	64	0.0	-39.81	465.66	14.54	-25.27
NC1=C(F)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500530	0	47	0.0	-49.30	349.86	8.43	-40.87
CC1CC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CCN1CC1=CC=CC=C1	REAL300018500531	0	63	0.0	-38.14	434.24	11.11	-27.03
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500532	0	65	0.0	-32.12	441.93	13.57	-18.55
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500533	0	65	0.0	-33.41	461.28	13.11	-20.30
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018500534	0	48	0.0	-40.82	365.71	11.21	-29.61
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018500535	0	47	0.0	-45.95	368.72	8.30	-37.65
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018500536	0	52	0.0	-34.04	371.98	12.10	-21.94
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C([N+](=O)[O-])=N1	REAL300018500537	0	47	0.0	-34.68	353.95	9.59	-25.09
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC(Cl)=CS1	REAL300018500538	0	41	0.0	-43.35	335.39	7.89	-35.46
COC1=NSC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500539	0	45	0.0	-52.18	351.19	6.23	-45.95
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018500540	0	48	0.0	-51.61	382.00	11.35	-40.26
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018500541	0	50	0.0	-30.98	367.03	10.61	-20.37
COC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500542	0	49	0.0	-31.99	375.72	10.11	-21.88
CC1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)N1C1=CC=CC=C1	REAL300018500543	0	55	0.0	-33.70	408.67	12.58	-21.12
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500544	0	63	0.0	-38.02	462.21	15.01	-23.01
CCCN1N=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018500545	0	57	0.0	-33.79	413.07	10.67	-23.12
CCN(CC)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1F	REAL300018500546	0	59	0.0	-39.21	432.81	11.39	-27.82
CCOC1CC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C12CCCC2	REAL300018500547	0	59	0.0	-29.84	403.50	11.04	-18.80
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C(SC)C=C1OC	REAL300018500548	0	57	0.0	-40.15	427.89	10.46	-29.69
CN(C)C1=CC=C(N2CCC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)CC2)C=C1	REAL300018500549	0	65	0.0	-37.59	444.76	10.76	-26.83
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500550	0	56	0.0	-31.40	402.13	12.76	-18.64
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC12CCCC2	REAL300018500551	0	55	0.0	-31.12	359.96	11.55	-19.57
CCCC(C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC=C1	REAL300018500552	0	57	0.0	-36.15	406.19	13.05	-23.10
CC1CC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC(C2=CC=CC=C2)C1	REAL300018500553	0	61	0.0	-37.72	424.85	13.62	-24.10
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300018500554	0	48	0.0	-39.27	358.02	7.63	-31.64
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500555	0	55	0.0	-32.91	399.87	11.18	-21.73
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018500556	0	47	0.0	-33.61	367.38	9.84	-23.77
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300018500557	0	49	0.0	-36.31	373.47	10.02	-26.29
COC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC2=CC=CC=C21	REAL300018500558	0	55	0.0	-51.73	408.36	11.92	-39.81
CCOC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500559	0	51	0.0	-37.91	375.58	8.73	-29.18
CCOC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500560	0	52	0.0	-38.52	387.41	10.59	-27.93
COC1=CC=C(C(C)C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500561	0	55	0.0	-38.54	399.12	10.93	-27.61
CN1N=C(C2CC2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500562	0	52	0.0	-43.71	385.83	9.98	-33.73
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018500564	0	61	0.0	-35.17	395.90	11.98	-23.19
CC([NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C(C)C1=CC=CC=C1	REAL300018500565	0	54	0.0	-35.27	379.08	11.80	-23.47
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018500566	0	53	0.0	-37.47	376.19	11.21	-26.26
CC1CN(CC2=CC=CC=C2)CC1[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500567	0	60	0.0	-36.54	418.15	10.10	-26.44
COC1=CC=CC2=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=CC=C12	REAL300018500568	0	55	0.0	-49.51	403.21	11.81	-37.70
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018500569	0	52	0.0	-41.10	384.06	10.34	-30.76
CC(CCC1=CC=CN=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500570	0	53	0.0	-39.24	378.08	10.42	-28.82
CC(C)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500571	0	54	0.0	-47.70	394.10	12.23	-35.47
NS(=O)(=O)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018500572	0	47	0.0	-49.62	366.71	3.46	-46.16
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018500573	0	56	0.0	-38.45	401.70	13.10	-25.35
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018500574	0	59	0.0	-39.87	389.62	9.53	-30.34
COC1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018500575	0	51	0.0	-36.73	364.45	8.28	-28.45
NC1=C(Cl)C=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500576	0	47	0.0	-48.35	358.78	8.92	-39.43
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018500577	0	48	0.0	-41.95	370.97	11.58	-30.37
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018500578	0	47	0.0	-42.96	351.91	9.12	-33.84
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018500579	0	45	0.0	-51.81	364.74	10.62	-41.19
CC1=C2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)NC2=CC=C1	REAL300018500580	0	52	0.0	-38.98	382.47	10.88	-28.10
CCOC1CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500581	0	55	0.0	-34.89	378.72	9.39	-25.50
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018500582	0	45	0.0	-53.70	364.49	10.45	-43.25
CCCOC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018500583	0	58	0.0	-34.40	413.43	11.77	-22.63
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OC1CC1	REAL300018500584	0	57	0.0	-43.56	423.49	11.19	-32.37
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018500585	0	58	0.0	-39.66	383.62	11.45	-28.21
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018500586	0	47	0.0	-55.08	361.89	9.43	-45.65
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018500587	0	55	0.0	-38.09	377.70	12.03	-26.06
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC=C(Br)S1	REAL300018500588	0	41	0.0	-40.19	340.10	8.20	-31.99
CCC1(C)CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500589	0	57	0.0	-35.55	372.54	10.79	-24.76
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018500590	0	55	0.0	-31.93	369.59	11.92	-20.01
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C(F)F)=N1	REAL300018500591	0	48	0.0	-31.28	359.44	8.88	-22.40
CC([NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C1CCCCCC1	REAL300018500592	0	57	0.0	-35.10	370.21	11.33	-23.77
CC([NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018500593	0	57	0.0	-30.27	412.53	12.55	-17.72
CCC1(CC)CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500594	0	60	0.0	-38.03	391.65	11.29	-26.74
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018500595	0	53	0.0	-34.95	372.88	10.16	-24.79
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018500596	0	52	0.0	-39.68	383.74	12.27	-27.41
CC(CC1=COC2=CC=CC=C12)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500597	0	54	0.0	-34.88	395.38	12.02	-22.86
NS(=O)(=O)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500598	0	50	0.0	-58.42	388.11	5.26	-53.16
CCCN1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500599	0	51	0.0	-41.55	374.26	9.59	-31.96
CC1=CC=C2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)NC2=C1	REAL300018500600	0	52	0.0	-36.87	382.56	10.92	-25.95
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2CCCN2N=C1	REAL300018500601	0	49	0.0	-38.40	360.01	8.94	-29.46
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN2CCCC2=C1	REAL300018500602	0	49	0.0	-35.99	360.07	8.85	-27.14
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018500603	0	44	0.0	-33.71	354.65	8.65	-25.06
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300018500604	0	49	0.0	-50.61	378.20	10.01	-40.60
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500605	0	53	0.0	-41.95	393.01	11.99	-29.96
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018500606	0	61	0.0	-40.98	418.73	13.28	-27.70
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018500607	0	47	0.0	-47.20	351.94	7.80	-39.40
CC1=CC(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=C2)=CC(C)=C1	REAL300018500608	0	61	0.0	-37.51	446.32	15.07	-22.44
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=C(Cl)C=C1	REAL300018500609	0	55	0.0	-43.09	401.13	12.89	-30.20
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1N1C=NC=N1	REAL300018500610	0	54	0.0	-58.84	408.22	13.84	-45.00
CCC1CCCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500611	0	57	0.0	-35.99	382.38	11.29	-24.70
CC1(C)CCCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500612	0	57	0.0	-35.25	372.76	10.91	-24.34
CC(C)(C)C1CCCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500613	0	63	0.0	-35.38	413.08	12.17	-23.21
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018500614	0	48	0.0	-41.08	363.59	10.92	-30.16
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018500615	0	52	0.0	-45.40	397.91	10.88	-34.52
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018500616	0	52	0.0	-43.49	397.57	8.62	-34.87
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(Br)=C1	REAL300018500617	0	49	0.0	-29.30	371.18	10.02	-19.28
COCC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500618	0	52	0.0	-50.08	388.94	10.03	-40.05
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500619	0	55	0.0	-37.43	421.53	12.53	-24.90
CN(C)CC1=NC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CS1	REAL300018500620	0	52	0.0	-39.98	390.51	6.82	-33.16
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018500621	0	56	0.0	-38.59	429.43	14.41	-24.18
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C(OC(F)F)C=C1C	REAL300018500622	0	55	0.0	-34.06	405.88	11.15	-22.91
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500623	0	62	0.0	-51.36	432.72	11.20	-40.16
CC1=CC=C(CC[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500624	0	51	0.0	-37.78	376.42	11.80	-25.98
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018500625	0	56	0.0	-38.32	399.30	9.92	-28.40
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018500626	0	52	0.0	-32.03	368.65	12.10	-19.93
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300018500627	0	47	0.0	-48.58	390.43	12.43	-36.15
CC1=C(Br)C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500628	0	45	0.0	-48.20	365.43	10.77	-37.43
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CCC1=CC=C(F)C=C1F	REAL300018500629	0	48	0.0	-43.42	362.67	11.21	-32.21
CC1=CC(C)=CC(CC[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500630	0	54	0.0	-36.80	393.63	12.43	-24.37
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300018500631	0	52	0.0	-36.08	387.28	10.23	-25.85
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCCC1C1=CC=CC=C1Cl	REAL300018500632	0	58	0.0	-34.24	413.43	13.26	-20.98
COC1=CC=C(CC(C)[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1OC	REAL300018500633	0	62	0.0	-40.75	442.47	11.10	-29.65
COC1=CC=C(N2C=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=N2)C=C1	REAL300018500634	0	56	0.0	-46.28	421.84	10.84	-35.44
CC(CCC1=CSC=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500635	0	51	0.0	-38.06	380.14	11.39	-26.67
COCCC1=CC=C(OCC(C)[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500636	0	62	0.0	-33.48	448.81	10.93	-22.55
CCC(CC1=CC=C(Br)C=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500637	0	54	0.0	-46.74	395.27	12.62	-34.12
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500638	0	55	0.0	-39.23	417.93	12.71	-26.52
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(F)C=NC=C1Br	REAL300018500639	0	44	0.0	-44.68	352.58	9.07	-35.61
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018500640	0	58	0.0	-38.68	415.85	13.77	-24.91
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300018500641	0	58	0.0	-40.23	420.19	13.82	-26.41
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300018500642	0	49	0.0	-31.54	367.86	9.10	-22.44
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018500643	0	51	0.0	-54.10	390.06	8.54	-45.56
CC(CC1=CN(C)N=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500644	0	51	0.0	-34.23	364.47	9.15	-25.08
CN1N=CC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=CN=C21	REAL300018500645	0	50	0.0	-48.27	377.82	9.47	-38.80
CC(CCC1=CC=C(F)C=C1F)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500646	0	54	0.0	-38.56	402.04	12.56	-26.00
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500647	0	55	0.0	-31.26	422.68	13.03	-18.23
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500648	1	65	0.0	-35.05	451.03	12.44	-22.61
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500649	0	57	0.0	-35.29	393.45	12.13	-23.16
COCC(CC1CCOCC1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500650	0	59	0.0	-38.38	411.69	8.71	-29.67
CN1C=C(CCC[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500651	0	51	0.0	-39.42	375.12	9.67	-29.75
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC=C1Cl	REAL300018500652	0	55	0.0	-32.97	405.36	13.03	-19.94
CN1CCN(C2=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=N2)CC1	REAL300018500653	0	60	0.0	-44.23	436.91	8.63	-35.60
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018500654	0	56	0.0	-37.89	412.01	13.55	-24.34
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018500655	0	58	0.0	-31.37	427.59	11.77	-19.60
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500656	0	54	0.0	-47.42	413.43	11.62	-35.80
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300018500657	0	58	0.0	-38.21	411.52	13.69	-24.52
CC1CCC2=C(C1)SC(C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)=N2	REAL300018500658	0	54	0.0	-30.80	398.62	10.69	-20.11
CCC1=CN=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500659	0	47	0.0	-39.02	361.81	9.05	-29.97
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300018500660	0	60	0.0	-35.02	424.65	12.23	-22.79
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2COCCC2C1	REAL300018500661	0	56	0.0	-36.95	372.32	9.70	-27.25
CC1(C)CC2(CC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C2)CO1	REAL300018500662	0	56	0.0	-37.98	386.67	9.54	-28.44
CC1CC2(CC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C2)CO1	REAL300018500663	0	53	0.0	-37.51	366.25	8.87	-28.64
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018500664	0	53	0.0	-37.06	377.88	10.60	-26.46
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018500665	0	52	0.0	-32.48	364.33	11.06	-21.42
CN1C=NC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=C21	REAL300018500666	0	51	0.0	-41.18	368.59	11.43	-29.75
COC1=CC=C(C)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500667	0	52	0.0	-36.81	370.00	10.02	-26.79
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NOC(C2CCC2)=C1	REAL300018500668	0	51	0.0	-40.46	374.45	10.57	-29.89
CC1(C2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=NO2)CC1	REAL300018500669	0	51	0.0	-40.09	376.88	10.47	-29.62
CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500670	0	51	0.0	-32.70	359.48	11.41	-21.29
CC1=CC(F)=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500671	0	48	0.0	-35.55	357.45	11.03	-24.52
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1C	REAL300018500672	0	54	0.0	-35.76	382.55	12.04	-23.72
CC(C)(C)C1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500673	0	57	0.0	-33.68	390.90	12.26	-21.42
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018500674	0	55	0.0	-33.54	385.32	10.71	-22.83
COC1=CC=C2SC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=CC2=C1	REAL300018500675	0	52	0.0	-50.04	400.81	11.13	-38.91
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CON=C1C1CC1	REAL300018500676	0	48	0.0	-36.85	355.04	9.84	-27.01
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018500677	0	51	0.0	-41.86	388.58	11.49	-30.37
CCN1CCC2=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=CC=C21	REAL300018500678	0	57	0.0	-49.62	413.18	10.93	-38.69
CC1(C)CC2(CO1)CCC([NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)CC2	REAL300018500679	0	62	0.0	-36.95	410.20	10.32	-26.63
CSC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1Cl	REAL300018500680	0	49	0.0	-41.67	384.52	11.79	-29.88
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1C1CC1	REAL300018500681	0	55	0.0	-48.00	400.30	12.94	-35.06
COC1=CC=CC2=C1CCCC([NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C2	REAL300018500682	0	59	0.0	-35.34	412.53	11.74	-23.60
CCOC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=N1	REAL300018500683	0	51	0.0	-37.31	378.57	7.94	-29.37
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1C1CC1	REAL300018500684	0	55	0.0	-36.89	399.95	12.96	-23.93
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C(C)=C2)C=C1	REAL300018500685	0	58	0.0	-37.83	420.86	12.51	-25.32
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018500686	0	51	0.0	-41.80	404.74	12.21	-29.59
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500687	0	55	0.0	-36.89	416.06	12.43	-24.46
CC1=NN(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=C2)C=C1Cl	REAL300018500688	0	55	0.0	-45.92	430.45	12.63	-33.29
CC(C)CC1CCCC1[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500689	0	57	0.0	-32.34	378.05	11.89	-20.45
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018500690	0	55	0.0	-40.88	405.90	6.79	-34.09
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NOC(C2CC2)=C1	REAL300018500691	0	48	0.0	-40.45	357.88	10.05	-30.40
CC1OC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=C2C1C	REAL300018500692	0	56	0.0	-51.08	407.27	11.41	-39.67
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OC(F)F	REAL300018500693	0	52	0.0	-34.14	388.97	10.62	-23.52
CC(C)C1=CC=C(O)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500694	0	55	0.0	-35.95	397.37	9.62	-26.33
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)NN=C1C(F)(F)F	REAL300018500695	0	48	0.0	-39.82	364.00	8.16	-31.66
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2(CCC2)CC1	REAL300018500696	0	55	0.0	-39.53	369.34	10.97	-28.56
CC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1O	REAL300018500697	0	49	0.0	-36.28	360.72	8.20	-28.08
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018500698	0	48	0.0	-30.96	365.13	9.56	-21.40
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018500699	0	51	0.0	-48.07	378.83	9.22	-38.85
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018500700	0	50	0.0	-35.67	365.48	10.14	-25.53
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018500701	0	52	0.0	-35.84	376.49	9.41	-26.43
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018500702	0	53	0.0	-50.65	387.59	10.40	-40.25
CC1=CC=CC(F)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500703	0	48	0.0	-39.20	355.05	10.92	-28.28
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1C1CCC1	REAL300018500704	0	55	0.0	-36.18	392.90	12.78	-23.40
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C2CCOCC2)=N1	REAL300018500705	0	59	0.0	-42.86	431.33	9.48	-33.38
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018500706	0	53	0.0	-42.35	393.94	10.16	-32.19
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018500707	0	59	0.0	-39.81	435.46	12.26	-27.55
CSC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500708	0	49	0.0	-49.57	374.10	11.32	-38.25
CC(C)(C)N1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500709	0	54	0.0	-33.17	370.52	9.66	-23.51
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018500710	0	52	0.0	-39.83	380.70	12.21	-27.62
CC(C)C1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)N(C)N=C1	REAL300018500711	0	54	0.0	-39.16	395.66	9.81	-29.35
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018500712	0	52	0.0	-33.90	381.67	12.23	-21.67
CCC([NH2+][C@@H](CC(=O)[O-])CC1CCCCC1)C(C)CC1=CC=CC=C1	REAL300018500713	0	60	0.0	-35.26	401.78	12.83	-22.43
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018500714	0	52	0.0	-35.94	394.50	12.58	-23.36
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018500715	0	53	0.0	-38.34	390.01	11.28	-27.06
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018500716	0	49	0.0	-31.86	380.75	10.13	-21.73
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018500717	0	51	0.0	-53.10	405.08	12.19	-40.91
CC1=NC=CN1C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018500718	0	58	0.0	-44.38	427.54	13.39	-30.99
CC1=C(C)N(C2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=C2)C=N1	REAL300018500719	0	58	0.0	-46.03	431.27	13.95	-32.08
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018500720	0	59	0.0	-37.26	427.94	14.36	-22.90
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)OC2=CC=C(F)C=C12	REAL300018500722	0	51	0.0	-39.83	382.18	11.50	-28.33
CC(CC1=CC=C(Cl)C=C1F)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500723	0	51	0.0	-32.51	391.56	12.21	-20.30
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500724	0	55	0.0	-38.88	409.37	11.45	-27.43
CCCN1C=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300018500725	0	51	0.0	-34.81	379.44	9.68	-25.13
CC(C)N1C=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300018500726	0	51	0.0	-38.97	372.37	9.42	-29.55
CC(C)(C)C1=CN=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500727	0	56	0.0	-35.39	400.70	10.82	-24.57
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018500728	0	48	0.0	-44.46	371.58	9.40	-35.06
CN1C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=NC2=C1CCCC2	REAL300018500729	0	55	0.0	-34.50	397.20	11.01	-23.49
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C(F)(F)F)=N1	REAL300018500730	0	48	0.0	-31.70	361.94	8.89	-22.81
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018500731	0	50	0.0	-39.61	370.46	10.75	-28.86
COC1=NC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1C	REAL300018500732	0	51	0.0	-35.12	380.83	7.73	-27.39
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018500733	0	48	0.0	-52.41	372.47	11.26	-41.15
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018500734	0	53	0.0	-33.85	372.81	10.21	-23.64
CCOC1=CC=C(Cl)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500735	0	52	0.0	-32.73	393.88	11.03	-21.70
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300018500736	0	52	0.0	-36.61	377.02	9.78	-26.83
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018500737	0	52	0.0	-37.13	373.59	11.14	-25.99
CCC(C)N1N=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500738	0	54	0.0	-35.49	390.95	10.06	-25.43
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018500739	0	58	0.0	-39.59	413.95	11.37	-28.22
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC2CCCCC2C1	REAL300018500740	0	55	0.0	-31.84	364.52	11.22	-20.62
COC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=CC=C1C(C)(C)C	REAL300018500741	0	61	0.0	-44.47	430.15	12.20	-32.27
CN1C=C(Br)N=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500742	0	45	0.0	-30.98	350.66	9.19	-21.79
COC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500743	0	51	0.0	-50.96	376.10	7.63	-43.33
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018500744	0	47	0.0	-32.95	360.96	9.78	-23.17
COC1=CC=CC(C2CC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C2)=C1	REAL300018500745	0	56	0.0	-36.10	393.32	11.02	-25.08
CC1=NOC(C2CC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C2)=N1	REAL300018500746	0	50	0.0	-39.47	361.69	7.48	-31.99
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC(C2CCOCC2)C1	REAL300018500747	0	56	0.0	-37.83	394.85	10.07	-27.76
CCCN1C=NC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500748	0	51	0.0	-48.61	368.81	11.09	-37.52
CC1=CC(C)=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1Br	REAL300018500749	0	54	0.0	-32.24	395.50	12.31	-19.93
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018500750	0	52	0.0	-40.10	386.40	10.28	-29.82
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018500751	0	58	0.0	-34.82	420.41	13.85	-20.97
COC1=CC=C(CC(C)[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018500752	0	58	0.0	-39.49	408.19	11.25	-28.24
CCC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=NN1CC	REAL300018500753	0	54	0.0	-37.97	385.98	10.14	-27.83
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C(F)(F)F)=CO1	REAL300018500754	0	48	0.0	-31.80	373.00	10.11	-21.69
CC(F)(F)C1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500755	0	51	0.0	-51.01	387.09	11.83	-39.18
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018500756	0	51	0.0	-44.27	396.45	11.12	-33.15
CN1C=C(C2=NNC=C2C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500757	0	52	0.0	-32.17	382.44	7.98	-24.19
COC1=CC=C(CCC(C)[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018500758	0	61	0.0	-39.38	428.11	11.97	-27.41
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC2CCCCCC2C1	REAL300018500759	0	58	0.0	-32.14	373.84	11.57	-20.57
CC1CCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)CC2=CC=CC=C21	REAL300018500760	0	58	0.0	-42.20	393.58	12.34	-29.86
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CSC=C2)C=C1	REAL300018500761	0	52	0.0	-39.24	399.11	12.76	-26.48
CCOC1=CC(CCC(C)[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CC=C1O	REAL300018500762	0	62	0.0	-42.79	444.18	10.19	-32.60
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21	REAL300018500763	0	51	0.0	-34.91	383.73	12.82	-22.09
COC1=C(C)C(C)=C(OC)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018500764	0	62	0.0	-32.30	441.90	10.93	-21.37
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1OC1CCCCC1	REAL300018500765	0	62	0.0	-30.08	437.53	13.10	-16.98
C=CCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500766	0	52	0.0	-32.27	373.05	11.99	-20.28
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018500767	0	65	0.0	-38.27	462.75	13.79	-24.48
COC1=CC=CC(OC2=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)C=C2)=C1	REAL300018500768	0	60	0.0	-41.14	448.32	12.50	-28.64
COC1=CC=CC=C1OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500769	0	60	0.0	-41.81	448.06	13.08	-28.73
COCC1=CC=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500770	0	52	0.0	-35.20	373.70	10.06	-25.14
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1CC1=CC=C(Cl)C=C1	REAL300018500771	0	58	0.0	-38.55	440.12	15.22	-23.33
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(SC(F)(F)F)=C1	REAL300018500772	0	49	0.0	-41.89	389.91	11.79	-30.10
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCOCC2=C1	REAL300018500773	0	53	0.0	-50.67	387.59	10.40	-40.27
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)SC2=CC(F)=CC=C12	REAL300018500774	0	51	0.0	-36.18	393.96	12.46	-23.72
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(C2=CC=NC=C2)=NN1	REAL300018500775	0	51	0.0	-46.81	388.13	8.51	-38.30
COC1=CC=C(F)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1OC	REAL300018500776	0	53	0.0	-35.66	397.82	9.62	-26.04
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC=CC1=CC=NC=C1	REAL300018500777	0	48	0.0	-55.95	359.94	9.86	-46.09
CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C2CC2)=N1	REAL300018500778	0	55	0.0	-41.88	409.91	11.18	-30.70
CCC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)N=C1	REAL300018500779	0	50	0.0	-39.38	367.19	9.92	-29.46
COC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1OCCO	REAL300018500780	0	57	0.0	-43.28	421.61	7.33	-35.95
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C2=CC=NN2C)=N1	REAL300018500781	0	55	0.0	-37.66	414.47	9.16	-28.50
CC(C)(C)C1=NOC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500782	0	53	0.0	-41.45	374.57	9.99	-31.46
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=CN=CC=C2C=C1	REAL300018500783	0	50	0.0	-54.61	374.88	10.79	-43.82
CC1=CC2=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=C2O1	REAL300018500784	0	51	0.0	-47.64	383.11	11.46	-36.18
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC(F)=C1C(F)(F)F	REAL300018500785	0	48	0.0	-47.54	363.42	11.22	-36.32
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(F)C=CC=C1OCC(F)(F)F	REAL300018500786	0	52	0.0	-37.35	408.41	11.10	-26.25
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CON=C1C1CCC1	REAL300018500787	0	51	0.0	-37.01	372.04	10.34	-26.67
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1F	REAL300018500788	0	48	0.0	-32.38	373.49	11.36	-21.02
CC(C)OC1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1F	REAL300018500789	0	55	0.0	-43.64	404.84	11.26	-32.38
CC1=NN(C2CCCC2)C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500790	0	58	0.0	-42.14	421.61	11.42	-30.72
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=NN1CC(F)F	REAL300018500791	0	48	0.0	-46.20	365.89	9.09	-37.11
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1	REAL300018500793	0	52	0.0	-40.22	394.53	11.60	-28.62
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN(C2CCC2)C=C1	REAL300018500794	0	52	0.0	-39.09	377.52	10.01	-29.08
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN(CC(F)F)C=C1	REAL300018500795	0	48	0.0	-40.76	366.69	9.20	-31.56
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN(C2CC2(F)F)C=C1	REAL300018500796	0	49	0.0	-44.67	375.21	9.77	-34.90
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC2CCCC(C2)C1	REAL300018500797	0	55	0.0	-34.67	366.90	11.10	-23.57
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=NN(C2CCCC2)C=C1	REAL300018500798	0	55	0.0	-38.65	395.08	10.69	-27.96
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2OC=CC2=C(F)C=C1	REAL300018500799	0	48	0.0	-34.33	362.96	10.71	-23.62
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C2OC=CC2=CC(Cl)=C1	REAL300018500800	0	48	0.0	-34.55	373.70	11.13	-23.42
COC1=CC=CC(CN2CCC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)CC2)=C1	REAL300018500801	0	64	0.0	-40.40	446.75	9.86	-30.54
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC=CC1=CC=CC=C1	REAL300018500802	0	49	0.0	-35.66	360.34	11.63	-24.03
COC1=CC=C2SC(C[NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)=NC2=C1	REAL300018500803	0	51	0.0	-33.50	390.49	9.05	-24.45
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=C(Br)C=CN12	REAL300018500804	0	48	0.0	-54.89	382.04	11.36	-43.53
CC1=CC(Br)=CC(C)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500805	0	51	0.0	-34.50	380.51	11.83	-22.67
CN1N=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1C1=CC=CO1	REAL300018500806	0	52	0.0	-41.24	390.92	9.65	-31.59
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC2=C1OCO2	REAL300018500807	0	48	0.0	-35.75	373.90	9.40	-26.35
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2CCCCC2)C=C1	REAL300018500808	0	61	0.0	-34.76	431.14	14.14	-20.62
CC1=NN(C2CCC2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500809	0	55	0.0	-35.83	395.16	10.59	-25.24
COC1=CC=CC=C1C=CC[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500810	0	53	0.0	-40.01	392.93	10.99	-29.02
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1	REAL300018500811	0	53	0.0	-43.98	402.70	10.68	-33.30
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500812	0	52	0.0	-38.94	392.95	9.55	-29.39
CC(C)(C)N1CCCC([NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018500813	0	59	0.0	-33.79	388.30	8.50	-25.29
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300018500814	0	58	0.0	-38.46	436.33	14.80	-23.66
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1	REAL300018500815	0	56	0.0	-37.88	412.41	11.54	-26.34
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1	REAL300018500816	0	54	0.0	-39.94	398.90	11.91	-28.03
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500817	0	66	0.0	-38.72	458.88	12.39	-26.33
CC1=CC=C(C2CCC([NH2+][C@@H](CC(=O)[O-])CC3CCCCC3)CC2)C=C1	REAL300018500818	0	61	0.0	-37.79	413.42	13.67	-24.12
COC1=CC(C)=CC(OC)=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500819	0	56	0.0	-31.88	407.35	9.67	-22.21
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(CF)C=C1	REAL300018500820	0	48	0.0	-37.20	357.28	11.15	-26.05
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1	REAL300018500821	0	49	0.0	-40.83	391.33	10.66	-30.17
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C2SC=CC2=C1	REAL300018500822	0	48	0.0	-37.69	366.22	11.69	-26.00
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1	REAL300018500823	0	54	0.0	-39.92	398.71	11.98	-27.94
CC(CC1=CN(C)N=C1)[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500824	0	51	0.0	-34.23	364.47	9.15	-25.08
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CC2CC=CCC2C1	REAL300018500825	0	53	0.0	-32.32	356.99	11.09	-21.23
CC1=CC=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1C(F)(F)F	REAL300018500826	0	51	0.0	-41.08	374.80	11.78	-29.30
C=CCN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500827	0	49	0.0	-35.77	366.44	9.55	-26.22
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC2=NNC=C2C=C1	REAL300018500828	0	48	0.0	-53.82	360.13	9.02	-44.80
CCC(C)C1=CC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500829	0	57	0.0	-36.93	412.21	12.93	-24.00
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC2(C1)CCOCC2	REAL300018500830	0	56	0.0	-34.92	371.95	9.27	-25.65
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500831	0	58	0.0	-44.05	427.20	12.80	-31.25
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018500832	0	55	0.0	-33.60	381.41	12.56	-21.04
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500833	0	52	0.0	-40.06	393.20	12.23	-27.83
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(N2C=CN=N2)C=C1	REAL300018500834	0	51	0.0	-43.05	381.67	10.23	-32.82
CC1=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C=CC2=CC=CC=C21	REAL300018500835	0	54	0.0	-35.54	382.92	12.86	-22.68
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500836	0	63	0.0	-33.92	452.63	11.92	-22.00
COC1=C2C=CNC2=CC=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500837	0	53	0.0	-43.18	394.65	9.75	-33.43
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1	REAL300018500838	0	58	0.0	-37.98	418.65	7.43	-30.55
CCCN1N=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018500839	0	54	0.0	-39.44	389.19	10.10	-29.34
CC1=CC(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)=CN=C1N1C=CC=N1	REAL300018500840	0	54	0.0	-42.65	400.81	11.64	-31.01
O=C([O-])C[C@@H](CC1CCCCC1)[NH2+]C1CCC1CC1=CC=CC=C1	REAL300018500841	0	55	0.0	-34.59	391.07	12.65	-21.94
CCCN1N=C(C)C=C1C[NH2+][C@@H](CC(=O)[O-])CC1CCCCC1	REAL300018500842	0	54	0.0	-41.79	396.10	10.16	-31.63
CN1C=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)C(C2CCC2)=N1	REAL300018500843	0	55	0.0	-35.93	397.52	10.67	-25.26
CC(C)(C)C1=NC=C(C[NH2+][C@@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018500844	0	53	0.0	-38.56	388.50	7.82	-30.74
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300018500845	0	51	0.0	-56.06	409.21	10.72	-45.34
CSC1=CC=CC=C1CC(C)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500846	0	55	0.0	-28.95	397.19	12.26	-16.69
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300018500847	0	50	0.0	-37.07	382.33	10.61	-26.46
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)CC1=CC=CC=C1	REAL300018500848	0	54	0.0	-36.98	386.92	12.32	-24.66
COC1=CC=C(OC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=C2)C=C1	REAL300018500849	0	60	0.0	-41.67	449.04	12.47	-29.20
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C2CCCCC2)=N1	REAL300018500850	0	61	0.0	-39.33	436.45	11.83	-27.50
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(CC2=CC=CN=C2)N=N1	REAL300018500851	0	53	0.0	-59.69	406.71	8.89	-50.80
CCC1CCCC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018500852	0	57	0.0	-32.78	382.54	11.60	-21.18
CC(C)C1=CN=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500853	0	50	0.0	-45.20	381.86	9.62	-35.58
CC1CC(C)(C)CCC1[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500854	0	57	0.0	-33.61	370.73	10.98	-22.63
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300018500855	0	52	0.0	-40.51	406.74	11.07	-29.44
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300018500856	0	49	0.0	-42.40	372.91	11.68	-30.72
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2=CC=CC=C2C1	REAL300018500857	0	52	0.0	-38.90	365.85	11.72	-27.18
CCCCCC(CCCCC)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500858	0	65	0.0	-39.66	444.39	13.66	-26.00
COC1=CC=C2CCC([NH2+][C@H](CC(=O)[O-])CC3CCCCC3)CC2=C1	REAL300018500859	0	56	0.0	-37.93	389.83	10.88	-27.05
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C(CCC1=CC=CC=C1)CC1=CC=CC=C1	REAL300018500860	0	64	0.0	-40.72	431.16	14.90	-25.82
CCC(CC1=CC=CS1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500861	0	51	0.0	-37.70	359.86	10.78	-26.92
CCC(CC1=CC=C(C)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500862	0	57	0.0	-38.93	392.57	12.09	-26.84
CCCC(CCC1=CC=CC=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500863	0	60	0.0	-38.07	410.98	13.31	-24.76
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(Br)C=CS1	REAL300018500864	0	42	0.0	-34.55	339.63	9.92	-24.63
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300018500865	0	50	0.0	-36.83	386.89	10.71	-26.12
CC(CCC1=CC=C2OCOC2=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500866	0	57	0.0	-43.20	410.85	10.99	-32.21
CC(CCC1=CC=C(O)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500867	0	55	0.0	-38.40	390.95	9.21	-29.19
COC1=CC=C(CC(C)[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018500868	0	59	0.0	-54.34	427.11	10.82	-43.52
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500869	0	58	0.0	-39.30	419.19	11.65	-27.65
COC1=CC=C(CCC(C)[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500870	0	58	0.0	-37.83	409.44	11.36	-26.47
CC(CCC1=CC=CO1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500871	0	51	0.0	-35.81	365.53	10.45	-25.36
CC(CC1=CC=C(F)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500872	0	51	0.0	-32.67	364.26	11.35	-21.32
CC(CCN1C=CC=N1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500873	0	51	0.0	-34.12	365.77	9.53	-24.59
CC(CC1=CC=C(Cl)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500874	0	51	0.0	-31.94	374.58	11.80	-20.14
CC(CCC1=CC=C(F)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500875	0	54	0.0	-40.88	390.48	12.36	-28.52
CC=CCOC1=CC=C(CCC(C)[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500876	0	65	0.0	-41.18	470.04	13.96	-27.22
CC(CC1CCOCC1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500877	0	55	0.0	-36.91	375.79	9.31	-27.60
CC(CCC1CCCCC1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500878	0	60	0.0	-32.96	400.72	12.24	-20.72
CC(CCC1=CC=CC=C1F)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500879	0	54	0.0	-34.71	385.49	12.10	-22.61
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC1CC1=CC=CC=C1	REAL300018500880	0	58	0.0	-34.69	397.18	13.51	-21.18
CC1=CC=C(C2CCCC2[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500881	0	58	0.0	-31.79	404.21	13.07	-18.72
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500882	0	54	0.0	-33.76	396.58	12.28	-21.48
CC(C)C1=CC=C(CC[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500883	0	57	0.0	-36.79	411.68	12.98	-23.81
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC(C(F)(F)F)CC1	REAL300018500884	0	51	0.0	-33.12	356.18	10.66	-22.46
CC1CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CN(CC2=CC=CC=C2)C1	REAL300018500885	0	63	0.0	-33.89	436.04	11.05	-22.84
CC1=CN2C=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)N=C2C=C1	REAL300018500886	0	51	0.0	-33.55	378.26	11.43	-22.12
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300018500887	0	51	0.0	-38.26	411.71	11.83	-26.43
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(F)C=CC=C1OC(F)(F)F	REAL300018500888	0	49	0.0	-33.17	379.92	10.15	-23.02
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2OC=CC2=C1	REAL300018500889	0	48	0.0	-39.60	357.33	10.61	-28.99
CN(C)CC1=CN=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500890	0	52	0.0	-46.06	395.59	7.02	-39.04
COCC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=NO1	REAL300018500891	0	48	0.0	-33.82	360.53	7.48	-26.34
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCC1=CC=C(Cl)C=C1	REAL300018500892	0	48	0.0	-39.13	368.18	11.57	-27.56
CC(C)N1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)N=N1	REAL300018500893	0	50	0.0	-53.78	370.77	8.20	-45.58
CN(C)CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=NO1	REAL300018500894	0	52	0.0	-32.71	382.12	7.25	-25.46
CC1=CC=CC=C1N1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)N=N1	REAL300018500895	0	54	0.0	-34.78	403.46	11.00	-23.78
CN(C)C1=NC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500896	0	52	0.0	-38.03	377.44	9.42	-28.61
CCOC1CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C1SC	REAL300018500897	0	53	0.0	-33.52	383.24	9.54	-23.98
COCCOCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500898	0	59	0.0	-52.37	444.27	10.29	-42.08
CN(C)C1=CC(Cl)=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500899	0	53	0.0	-43.38	418.00	11.20	-32.18
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300018500901	0	58	0.0	-48.01	417.26	13.52	-34.49
COC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500902	0	49	0.0	-35.61	364.11	9.73	-25.88
CC1(C2=CC=CC=C2)CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018500903	0	55	0.0	-38.22	384.27	12.18	-26.04
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300018500904	0	48	0.0	-38.79	367.30	9.24	-29.55
CN1N=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500905	0	55	0.0	-44.91	405.43	11.18	-33.73
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300018500906	0	55	0.0	-36.28	395.72	12.88	-23.40
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC=C1N1CCOCC1	REAL300018500907	0	58	0.0	-32.56	423.43	9.94	-22.62
CC1CN(C2=CC=CC=C2C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CCO1	REAL300018500908	0	61	0.0	-35.09	433.01	10.47	-24.62
CS(=O)(=O)CC1CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500909	0	57	0.0	-45.50	405.69	7.86	-37.64
COCC1CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018500910	0	55	0.0	-35.98	372.60	9.44	-26.54
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)N2C(C3CC3)=CSC2=N1	REAL300018500911	0	55	0.0	-48.65	417.46	12.38	-36.27
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCCC2=N1	REAL300018500912	0	51	0.0	-31.79	370.42	10.31	-21.48
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500913	0	58	0.0	-33.03	417.96	14.05	-18.98
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300018500914	0	55	0.0	-39.52	394.76	10.74	-28.78
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300018500915	0	52	0.0	-36.49	379.17	12.38	-24.11
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCN(C2CC2)CC1	REAL300018500916	0	54	0.0	-36.28	368.10	8.39	-27.89
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500917	0	55	0.0	-39.38	414.43	12.17	-27.21
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1C(F)(F)F	REAL300018500918	0	51	0.0	-40.07	384.38	11.79	-28.28
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300018500919	0	51	0.0	-50.73	383.72	9.92	-40.81
CCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1O	REAL300018500920	0	52	0.0	-36.00	380.65	9.06	-26.94
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018500921	0	55	0.0	-39.53	422.65	10.72	-28.81
CCCCOC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500922	0	58	0.0	-36.32	422.82	12.16	-24.16
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300018500923	0	51	0.0	-41.57	374.09	9.46	-32.11
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(Br)=C1	REAL300018500924	0	45	0.0	-40.08	351.23	10.89	-29.19
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018500925	0	53	0.0	-40.21	388.69	9.47	-30.74
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300018500926	0	48	0.0	-30.68	361.62	11.24	-19.44
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018500927	0	56	0.0	-40.06	410.55	10.39	-29.67
CCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018500928	0	51	0.0	-36.08	372.85	11.74	-24.34
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300018500929	0	52	0.0	-36.23	396.60	12.24	-23.99
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1C	REAL300018500930	0	51	0.0	-35.99	368.37	11.48	-24.51
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Br)=CS1	REAL300018500931	0	42	0.0	-48.62	345.57	10.04	-38.58
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018500932	0	51	0.0	-33.42	401.15	11.12	-22.30
CC1=NN(C)C(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500933	0	48	0.0	-37.26	368.10	8.93	-28.33
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300018500934	0	52	0.0	-45.85	388.31	11.50	-34.35
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500935	0	52	0.0	-39.90	381.30	10.50	-29.40
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300018500936	0	48	0.0	-42.51	355.59	8.95	-33.56
COC1=NC2=CC=CC=C2C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500937	0	54	0.0	-33.17	400.49	9.31	-23.86
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300018500938	0	48	0.0	-32.90	377.80	11.70	-21.20
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300018500939	0	45	0.0	-38.23	352.18	10.86	-27.37
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300018500940	0	48	0.0	-40.22	374.27	11.33	-28.89
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300018500941	0	45	0.0	-35.55	359.05	11.25	-24.30
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300018500942	0	48	0.0	-46.34	367.66	11.32	-35.02
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300018500943	0	48	0.0	-40.50	375.04	11.34	-29.16
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300018500944	0	45	0.0	-34.89	352.33	10.92	-23.97
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300018500945	0	45	0.0	-38.52	351.88	10.84	-27.68
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC(F)=C1	REAL300018500946	0	45	0.0	-39.55	342.41	10.44	-29.11
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300018500947	0	54	0.0	-43.58	401.61	12.16	-31.42
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500948	0	60	0.0	-34.71	423.30	10.82	-23.89
CCC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC=C1	REAL300018500949	0	54	0.0	-36.02	385.33	12.24	-23.78
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(Br)=C1	REAL300018500950	0	48	0.0	-36.25	367.31	11.50	-24.75
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300018500951	0	49	0.0	-39.26	367.04	11.67	-27.59
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300018500952	0	47	0.0	-42.85	357.51	9.39	-33.46
COC1=CC=C2OC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CC2=C1	REAL300018500953	0	52	0.0	-38.40	387.31	10.10	-28.30
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C2=CC=CC=C2O1	REAL300018500954	0	51	0.0	-35.22	378.24	11.42	-23.80
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=COC2=CC=CC=C12	REAL300018500955	0	48	0.0	-40.65	357.86	10.65	-30.00
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1Br	REAL300018500956	0	48	0.0	-39.58	369.08	11.48	-28.10
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=NC=CN12	REAL300018500957	0	47	0.0	-43.76	351.62	8.96	-34.80
CC1=CN2C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CN=C2C=C1	REAL300018500958	0	51	0.0	-51.34	382.10	11.40	-39.94
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300018500959	0	47	0.0	-42.08	361.77	9.75	-32.33
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500960	0	51	0.0	-50.20	396.85	11.18	-39.02
CC1=CC(Cl)=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500961	0	51	0.0	-35.51	378.44	11.80	-23.71
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300018500962	0	49	0.0	-40.89	375.07	9.95	-30.94
CC1=NN2C(=NC(C)=C2C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500963	0	50	0.0	-41.69	383.93	9.48	-32.21
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300018500964	0	59	0.0	-41.95	447.59	13.62	-28.33
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500965	0	51	0.0	-33.60	394.00	11.16	-22.44
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC(Br)=C1	REAL300018500966	0	51	0.0	-35.77	387.10	12.20	-23.57
COC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1Cl	REAL300018500967	0	49	0.0	-33.00	384.27	10.54	-22.46
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018500968	0	54	0.0	-51.27	408.71	12.00	-39.27
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1CCOC2=CC=CC=C21	REAL300018500969	0	53	0.0	-55.59	380.47	10.74	-44.85
CC1(C)CCC2=C(C1)SC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)=N2	REAL300018500970	0	57	0.0	-38.33	414.19	10.95	-27.38
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300018500971	0	52	0.0	-39.95	393.69	8.52	-31.43
COC1=C(Br)C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018500972	0	46	0.0	-38.80	373.17	9.47	-29.33
CC1=CC(Cl)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500973	0	48	0.0	-49.01	365.47	11.44	-37.57
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=CC(Br)=C1	REAL300018500974	0	44	0.0	-40.00	346.13	9.11	-30.89
CCN1N=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C2=CC=CC=C21	REAL300018500975	0	54	0.0	-34.10	401.70	11.06	-23.04
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC=C(Cl)S1	REAL300018500976	0	41	0.0	-39.32	331.79	8.04	-31.28
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300018500977	0	57	0.0	-37.90	433.20	13.62	-24.28
CCSC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500978	0	52	0.0	-40.14	391.63	12.13	-28.01
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCSCC1=CC=CC=C1	REAL300018500979	0	52	0.0	-36.95	396.15	12.39	-24.56
CCCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018500980	0	54	0.0	-36.17	394.29	12.48	-23.69
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500981	0	58	0.0	-40.06	426.97	11.33	-28.73
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCCC1=CC=C2OCCC2=C1	REAL300018500982	0	56	0.0	-40.78	408.85	11.69	-29.09
CC1=CCCC(C)C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500983	0	55	0.0	-45.29	378.24	11.75	-33.54
COC1=C(Br)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500984	0	49	0.0	-40.59	379.58	10.35	-30.24
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300018500985	0	45	0.0	-39.66	353.09	10.85	-28.81
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC(CC2=CC=CC=C2)C1	REAL300018500986	0	58	0.0	-52.46	413.55	13.35	-39.11
CC1(C2=CC=CC=C2)CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018500987	0	58	0.0	-35.20	399.95	12.71	-22.49
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018500988	0	48	0.0	-39.63	356.95	6.97	-32.66
CN1N=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500989	0	45	0.0	-50.04	351.51	8.39	-41.65
CC(CC1=CC=CC=C1F)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018500990	0	51	0.0	-30.26	359.21	11.59	-18.67
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018500991	0	55	0.0	-38.45	420.57	12.00	-26.45
CC(CC[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC=C1	REAL300018500992	0	54	0.0	-38.04	387.19	12.18	-25.86
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCCC1=C(F)C=CC=C1Cl	REAL300018500993	0	51	0.0	-36.80	392.31	12.28	-24.52
CC1=NC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=C2C=C1	REAL300018500994	0	53	0.0	-44.27	392.65	11.25	-33.02
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC(Cl)=C1	REAL300018500995	0	51	0.0	-35.80	382.53	12.10	-23.70
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=C(F)C=C1	REAL300018500996	0	51	0.0	-39.39	372.51	11.63	-27.76
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300018500997	0	45	0.0	-48.53	356.05	10.86	-37.67
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC=C1	REAL300018500998	0	51	0.0	-35.90	365.80	11.59	-24.31
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(Br)O1	REAL300018500999	0	42	0.0	-34.38	332.35	9.15	-25.23
CC1=CC(C(F)(F)F)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501000	0	51	0.0	-51.24	387.80	11.95	-39.29
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1F	REAL300018501517	0	48	0.0	-41.02	356.31	11.01	-30.01
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018501519	0	47	0.0	-44.86	361.33	11.27	-33.59
CC1(C)CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC(C)(C)C1	REAL300018501520	0	60	0.0	-37.42	391.24	11.31	-26.11
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018501521	0	52	0.0	-34.27	381.11	12.26	-22.01
CC(CCC1=CNC2=CC=CC=C12)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501522	0	58	0.0	-38.12	415.15	12.27	-25.85
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(Cl)=C1OC	REAL300018501523	0	53	0.0	-43.46	404.23	10.07	-33.39
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018501524	0	52	0.0	-39.59	397.32	12.92	-26.67
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018501525	0	48	0.0	-49.16	371.25	11.86	-37.30
CC(C)OC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501526	0	55	0.0	-38.79	399.14	11.17	-27.62
CCCCCCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501527	0	67	0.0	-38.53	488.81	14.45	-24.08
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018501528	0	66	0.0	-36.59	463.06	14.64	-21.95
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1F	REAL300018501529	0	48	0.0	-39.36	356.67	10.97	-28.39
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018501530	0	49	0.0	-35.43	361.23	10.29	-25.14
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018501531	0	44	0.0	-50.86	349.99	10.08	-40.78
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018501532	0	58	0.0	-35.25	413.80	9.75	-25.50
CC(C)CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501533	0	57	0.0	-47.87	414.86	13.01	-34.86
CC1=CC=C(C2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=C2)C=C1	REAL300018501534	0	58	0.0	-37.64	425.52	14.36	-23.28
CC1=CC(C)=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501535	0	51	0.0	-35.45	372.40	11.62	-23.83
COC1=CC=C(Br)C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501536	0	49	0.0	-31.09	370.91	10.06	-21.03
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1[N+](=O)[O-]	REAL300018501537	0	51	0.0	-55.79	385.48	11.01	-44.78
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018501538	0	45	0.0	-38.11	363.05	11.31	-26.80
CC1=CC=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501539	0	51	0.0	-33.78	361.65	11.32	-22.46
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501540	0	58	0.0	-35.99	425.99	14.36	-21.63
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018501541	0	49	0.0	-41.24	369.20	9.86	-31.38
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OCC	REAL300018501542	0	59	0.0	-39.97	432.41	11.31	-28.66
CC(C)C1CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501543	0	57	0.0	-48.92	388.00	11.42	-37.50
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018501544	0	48	0.0	-39.33	381.84	11.69	-27.64
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018501545	0	45	0.0	-46.54	356.55	10.93	-35.61
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018501546	0	48	0.0	-40.16	369.19	9.40	-30.76
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018501547	0	50	0.0	-40.48	365.15	10.53	-29.95
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018501548	0	49	0.0	-41.34	375.94	10.07	-31.27
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501549	0	51	0.0	-58.80	394.40	7.85	-50.95
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501550	0	59	0.0	-38.31	438.17	13.36	-24.95
CC(CCOCC1=CC=CC=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501551	0	58	0.0	-35.09	413.30	11.40	-23.69
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018501552	0	52	0.0	-38.94	386.41	12.42	-26.52
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018501553	0	55	0.0	-51.79	424.82	14.25	-37.54
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018501554	0	55	0.0	-38.84	420.84	14.20	-24.64
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C2=CC=CC=C12	REAL300018501555	0	55	0.0	-48.97	403.25	11.79	-37.18
CCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018501556	0	48	0.0	-33.14	363.54	10.96	-22.18
CN1C2=CC=CC=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501557	0	51	0.0	-33.44	377.20	10.64	-22.80
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018501558	0	50	0.0	-39.75	365.83	10.12	-29.63
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CSC(Br)=C1	REAL300018501559	0	42	0.0	-35.93	341.61	9.96	-25.97
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018501560	0	58	0.0	-39.80	434.48	11.86	-27.94
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018501561	0	58	0.0	-38.82	434.41	11.86	-26.96
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018501562	0	56	0.0	-38.23	403.87	10.18	-28.05
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501563	0	53	0.0	-50.22	406.67	6.91	-43.31
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018501564	0	49	0.0	-36.82	361.02	10.30	-26.52
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018501565	0	49	0.0	-38.01	361.32	10.30	-27.71
CC(CC1=CC=CS1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501566	0	48	0.0	-29.23	348.16	10.41	-18.82
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018501567	0	48	0.0	-48.38	369.13	9.39	-38.99
CC1=CC(F)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501568	0	48	0.0	-49.96	355.14	11.00	-38.96
CC1(C)CCC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CC=C2O1	REAL300018501569	0	59	0.0	-39.43	420.55	12.10	-27.33
CC(CC(C)(C)C1=CC=CC=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501570	0	60	0.0	-36.16	403.67	12.96	-23.20
CN(C)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501571	0	53	0.0	-43.86	385.21	10.29	-33.57
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018501572	0	54	0.0	-42.71	399.17	11.92	-30.79
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018501573	0	54	0.0	-40.44	399.32	11.93	-28.51
CN1CCN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=C2)CC1	REAL300018501574	1	62	0.0	-37.25	439.17	8.98	-28.27
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501575	0	61	0.0	-34.43	430.53	7.73	-26.70
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018501576	0	54	0.0	-42.41	411.56	8.78	-33.63
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018501577	0	55	0.0	-40.98	387.83	8.01	-32.97
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018501578	0	60	0.0	-36.47	436.72	11.27	-25.20
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018501579	0	60	0.0	-36.94	433.73	11.05	-25.89
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018501580	0	59	0.0	-36.84	414.63	8.71	-28.13
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018501581	0	52	0.0	-44.63	395.19	11.56	-33.07
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CC(C)(C)N1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018501583	0	54	0.0	-41.02	392.70	10.09	-30.93
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CC1=CC=CC(C2=NNC=C2C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501691	0	55	0.0	-40.29	401.32	10.89	-29.40
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC(C(F)(F)F)=C1	REAL300018501692	0	52	0.0	-39.14	398.51	10.58	-28.56
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300018501693	0	45	0.0	-46.58	367.82	11.38	-35.20
CC(CSC(C)(C)C)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501694	0	54	0.0	-33.20	383.69	10.96	-22.24
CN(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)N1C	REAL300018501695	0	53	0.0	-50.97	392.17	9.46	-41.51
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CN1	REAL300018501696	0	52	0.0	-35.49	388.87	10.58	-24.91
CC(C)COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501697	0	58	0.0	-38.37	422.92	12.02	-26.35
COCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501698	0	56	0.0	-41.11	414.94	9.79	-31.32
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501699	0	54	0.0	-27.41	399.63	12.99	-14.42
CC1(C)CCCC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018501700	0	57	0.0	-49.71	388.60	11.53	-38.18
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018501701	0	49	0.0	-39.90	384.87	10.42	-29.48
CC1=CC(N(C)C)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501702	0	56	0.0	-46.54	399.31	11.30	-35.24
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018501703	0	52	0.0	-36.18	375.42	12.18	-24.00
CC1=CC=CC=C1CC(C)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501704	0	54	0.0	-36.60	377.35	11.94	-24.66
CC1=CC=CC(CC(C)[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501705	0	54	0.0	-37.52	383.25	12.17	-25.35
COC1=CC2=C(C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)OCO2	REAL300018501706	0	52	0.0	-38.48	383.95	8.31	-30.17
COC1=CC(Cl)=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018501707	0	53	0.0	-48.99	404.27	10.00	-38.99
COC1=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)SC=C1	REAL300018501708	0	46	0.0	-34.22	350.09	8.70	-25.52
CC(C)COC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501709	0	58	0.0	-39.73	422.86	12.00	-27.73
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018501710	0	51	0.0	-51.08	380.46	12.47	-38.61
C=CCOC1=C(Cl)C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018501711	0	57	0.0	-44.07	443.42	11.64	-32.43
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1CN1C=CC=N1	REAL300018501712	0	59	0.0	-41.99	442.17	11.26	-30.73
CC(C)COC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501713	0	58	0.0	-35.20	421.37	12.09	-23.11
CC1(C)CC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=C2O1	REAL300018501714	0	56	0.0	-39.04	407.09	11.50	-27.54
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=NC=C1Cl	REAL300018501715	0	44	0.0	-31.38	353.13	9.31	-22.07
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018501716	0	51	0.0	-38.77	378.48	10.03	-28.74
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=NC=C1Br	REAL300018501717	0	44	0.0	-31.75	336.97	8.97	-22.78
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=NC=C1Cl	REAL300018501718	0	44	0.0	-32.34	334.65	8.90	-23.44
CC(C)(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)N1CCOCC1	REAL300018501719	0	57	0.0	-35.31	383.46	7.27	-28.04
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018501720	0	45	0.0	-39.42	357.65	10.96	-28.46
CC(CC1=CC=C(F)C=C1Cl)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501721	0	51	0.0	-30.93	377.16	11.71	-19.22
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C2=CC=CC=C2)=N1	REAL300018501722	0	55	0.0	-39.74	402.69	11.51	-28.23
CCC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018501723	0	49	0.0	-41.31	362.91	8.88	-32.43
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018501724	0	52	0.0	-35.93	388.36	11.47	-24.46
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300018501725	0	50	0.0	-52.07	392.76	11.92	-40.15
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018501726	0	50	0.0	-40.93	370.95	10.76	-30.17
CC1=C(Br)SC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501727	0	45	0.0	-34.47	361.44	10.71	-23.76
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018501728	0	48	0.0	-55.44	359.93	9.01	-46.43
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018501729	0	48	0.0	-42.64	356.16	8.98	-33.66
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018501730	0	48	0.0	-36.71	379.13	11.43	-25.28
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C2CCCN12	REAL300018501731	0	49	0.0	-42.76	355.90	9.87	-32.89
CS(=O)(=O)N1CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501732	0	53	0.0	-52.66	379.44	5.91	-46.75
COC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501733	0	49	0.0	-39.50	365.86	9.64	-29.86
CC(CC1=CN=CC=N1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501734	0	49	0.0	-34.83	356.27	8.61	-26.22
CC(C)(C)C1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018501735	0	55	0.0	-40.80	401.57	10.24	-30.56
COC1=CC=CC=C1N1CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501736	0	61	0.0	-36.33	418.13	9.86	-26.47
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(Cl)=C1	REAL300018501737	0	48	0.0	-37.28	363.73	11.40	-25.88
COC1=CC=C(OC(F)F)C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501738	0	53	0.0	-35.52	396.94	9.21	-26.31
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300018501739	0	49	0.0	-30.27	380.92	10.29	-19.98
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018501740	0	47	0.0	-45.10	370.26	11.34	-33.76
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018501741	0	48	0.0	-56.76	371.96	11.60	-45.16
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018501742	0	55	0.0	-31.84	382.81	12.39	-19.45
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1OC1=CC=CN=C1	REAL300018501743	0	58	0.0	-40.87	433.64	12.07	-28.80
CC1=CC=C(C2=NC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)S2)C=C1	REAL300018501744	0	54	0.0	-38.01	416.38	11.99	-26.02
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018501745	0	50	0.0	-45.24	390.22	11.35	-33.89
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018501746	0	50	0.0	-32.99	382.45	11.17	-21.82
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018501747	0	50	0.0	-40.80	375.02	10.86	-29.94
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018501748	0	50	0.0	-46.06	379.90	10.91	-35.15
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018501749	0	50	0.0	-40.27	383.87	11.24	-29.03
CS(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501750	0	50	0.0	-59.07	385.94	8.92	-50.15
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018501751	0	47	0.0	-54.48	374.75	11.43	-43.05
CC(C)CCN1C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501752	0	58	0.0	-43.99	415.97	12.76	-31.23
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018501753	0	52	0.0	-36.92	404.68	12.34	-24.58
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018501754	0	55	0.0	-35.92	417.10	12.91	-23.01
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)O2)C=C1	REAL300018501755	0	58	0.0	-35.01	433.03	13.61	-21.40
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(OC(F)F)=C1	REAL300018501756	0	53	0.0	-40.54	397.18	9.21	-31.33
CC(C)C1CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CCO1	REAL300018501757	0	55	0.0	-36.06	371.04	9.46	-26.60
CCN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C2=CC=CC=C2)=N1	REAL300018501758	0	58	0.0	-39.65	424.18	12.39	-27.26
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018501759	0	55	0.0	-36.10	392.65	12.77	-23.33
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018501760	0	64	0.0	-36.14	415.50	13.20	-22.94
CC(C)CC(C)CC(C)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501761	0	59	0.0	-36.69	398.17	11.69	-25.00
CC1=CC=C(C(C)C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501762	0	54	0.0	-36.58	387.52	12.25	-24.33
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1C(C)(C)C	REAL300018501763	0	61	0.0	-37.53	430.62	12.26	-25.27
COCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018501764	0	49	0.0	-35.53	366.27	8.30	-27.23
CC(C)(C)OC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501765	0	58	0.0	-39.51	410.20	11.47	-28.04
CC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1CCCCC1	REAL300018501766	0	57	0.0	-34.64	385.94	11.71	-22.93
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501767	0	50	0.0	-59.71	387.90	5.29	-54.42
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018501768	0	52	0.0	-40.86	378.36	12.11	-28.75
CCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018501769	0	55	0.0	-48.28	399.86	11.14	-37.14
COC1=CC(C)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501770	0	52	0.0	-44.60	383.31	10.33	-34.27
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018501771	0	55	0.0	-37.96	389.71	12.74	-25.22
NC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501772	0	47	0.0	-49.61	375.53	9.39	-40.22
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018501773	0	55	0.0	-39.09	391.62	12.43	-26.66
COCC1=CSC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501774	0	49	0.0	-34.94	375.12	9.13	-25.81
CCCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018501775	0	51	0.0	-47.15	388.81	11.79	-35.36
CC(C)N1C=CN=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501776	0	51	0.0	-49.25	374.57	10.14	-39.11
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=CC=C1[N+](=O)[O-]	REAL300018501777	0	50	0.0	-55.97	371.26	11.42	-44.55
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1Br	REAL300018501778	0	48	0.0	-38.39	369.44	11.46	-26.93
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1Cl	REAL300018501779	0	49	0.0	-40.46	375.48	10.12	-30.34
COC1=CC=CC(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501780	0	52	0.0	-43.58	378.89	10.17	-33.41
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018501781	0	48	0.0	-40.77	357.20	10.62	-30.15
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018501782	0	52	0.0	-34.55	388.79	11.39	-23.16
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018501783	0	44	0.0	-40.24	355.66	8.71	-31.53
CCC1=NN(C)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501784	0	51	0.0	-40.79	373.95	9.42	-31.37
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018501785	0	52	0.0	-33.32	374.50	9.60	-23.72
CCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501786	0	51	0.0	-36.03	372.83	11.71	-24.32
COC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018501787	0	45	0.0	-51.19	351.23	5.94	-45.25
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018501788	0	49	0.0	-37.10	361.08	11.67	-25.43
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018501789	0	50	0.0	-35.59	369.33	7.63	-27.96
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018501790	0	48	0.0	-51.64	377.43	11.26	-40.38
CC1=CC=CN2C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CN=C12	REAL300018501791	0	51	0.0	-43.77	378.25	11.31	-32.46
CN1C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CN=C1Cl	REAL300018501792	0	45	0.0	-53.18	350.06	9.19	-43.99
CN1C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CN=C1Br	REAL300018501793	0	45	0.0	-52.99	354.35	9.22	-43.77
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018501794	0	51	0.0	-35.74	389.27	10.18	-25.56
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018501795	0	45	0.0	-56.96	354.92	7.65	-49.31
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018501796	0	49	0.0	-37.11	367.98	10.32	-26.79
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018501797	0	49	0.0	-40.43	368.20	10.28	-30.15
CCOC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=N1	REAL300018501798	0	51	0.0	-32.87	378.98	7.87	-25.00
CC1=C(Cl)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501799	0	48	0.0	-37.78	356.37	11.31	-26.47
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018501800	0	47	0.0	-53.01	365.99	10.06	-42.95
CC1=CC=CC2=NC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)N21	REAL300018501801	0	51	0.0	-49.73	371.04	11.12	-38.61
CC(CCC1=NNC2=CC=CC=C21)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501802	0	57	0.0	-43.27	411.87	10.94	-32.33
C=CCCCCCC(C)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501803	0	57	0.0	-32.02	396.67	11.99	-20.03
CC1=CC(Cl)=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501804	0	48	0.0	-39.49	368.08	11.44	-28.05
COCC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501805	0	52	0.0	-50.49	388.79	10.06	-40.43
COCC(CC(C)(C)C)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501806	0	57	0.0	-31.81	383.02	9.01	-22.80
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018501807	0	50	0.0	-50.13	377.37	10.72	-39.41
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC2=CC=CN=C12	REAL300018501808	0	53	0.0	-43.15	391.19	11.47	-31.68
CC(C)C1CCCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C1	REAL300018501809	0	57	0.0	-36.17	375.27	11.28	-24.89
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1C	REAL300018501810	0	58	0.0	-37.26	422.88	12.05	-25.21
COC1=C(C)C=NC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018501811	0	54	0.0	-38.93	392.32	9.06	-29.87
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501812	0	55	0.0	-46.84	407.58	11.96	-34.88
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCCC12CCCC2	REAL300018501813	0	58	0.0	-35.20	376.13	11.80	-23.40
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018501814	0	48	0.0	-58.10	386.81	7.01	-51.09
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018501815	0	47	0.0	-40.17	373.49	9.84	-30.33
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)O2)C=C1	REAL300018501816	0	64	0.0	-34.87	466.27	14.48	-20.39
NC1=C(F)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501817	0	47	0.0	-36.88	344.97	8.44	-28.44
CC1CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CCN1CC1=CC=CC=C1	REAL300018501818	0	63	0.0	-39.11	436.16	11.27	-27.84
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501819	0	65	0.0	-30.58	457.80	12.82	-17.76
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501820	0	65	0.0	-33.23	470.67	13.38	-19.85
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018501821	0	48	0.0	-52.55	367.89	11.26	-41.29
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018501822	0	47	0.0	-37.09	369.37	8.26	-28.83
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018501823	0	52	0.0	-35.06	374.07	12.11	-22.95
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C([N+](=O)[O-])=N1	REAL300018501824	0	47	0.0	-56.21	356.49	9.63	-46.58
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC(Cl)=CS1	REAL300018501825	0	41	0.0	-42.71	331.72	7.84	-34.87
COC1=NSC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501826	0	45	0.0	-39.31	347.21	6.19	-33.12
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018501827	0	48	0.0	-51.55	381.99	11.36	-40.19
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018501828	0	50	0.0	-32.25	367.68	10.57	-21.68
COC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501829	0	49	0.0	-32.62	372.15	10.05	-22.57
CC1=NC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)N1C1=CC=CC=C1	REAL300018501830	0	55	0.0	-35.85	408.56	12.59	-23.26
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501831	0	63	0.0	-38.14	462.96	14.99	-23.15
CCCN1N=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018501832	0	57	0.0	-35.07	414.13	10.66	-24.41
CCN(CC)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1F	REAL300018501833	0	59	0.0	-36.68	430.12	11.41	-25.27
CCOC1CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C12CCCC2	REAL300018501834	0	59	0.0	-35.47	401.95	10.92	-24.55
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C(SC)C=C1OC	REAL300018501835	0	57	0.0	-47.14	428.07	10.46	-36.68
CN(C)C1=CC=C(N2CCC([NH2+][C@H](CC(=O)[O-])CC3CCCCC3)CC2)C=C1	REAL300018501836	0	65	0.0	-39.44	446.23	10.84	-28.60
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501837	0	56	0.0	-50.70	403.43	12.65	-38.05
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC12CCCC2	REAL300018501838	0	55	0.0	-32.49	358.65	11.46	-21.03
CCCC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=CC=C1	REAL300018501839	0	57	0.0	-38.70	406.34	12.91	-25.79
CC1CC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC(C2=CC=CC=C2)C1	REAL300018501840	0	61	0.0	-33.36	401.43	13.82	-19.54
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C(C2CC2)O1	REAL300018501841	0	48	0.0	-37.24	358.62	7.58	-29.66
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501842	0	55	0.0	-35.47	403.93	11.29	-24.18
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018501843	0	47	0.0	-40.16	368.04	9.81	-30.35
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300018501844	0	49	0.0	-35.87	373.86	10.01	-25.86
COC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC2=CC=CC=C21	REAL300018501845	0	55	0.0	-39.80	404.42	11.88	-27.92
CCOC1=CN=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501846	0	51	0.0	-40.11	376.24	8.70	-31.41
CCOC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501847	0	52	0.0	-39.17	387.72	10.57	-28.60
COC1=CC=C(C(C)C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501848	0	55	0.0	-39.21	395.59	10.86	-28.35
CN1N=C(C2CC2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501849	0	52	0.0	-52.16	386.20	9.96	-42.20
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018501851	0	61	0.0	-49.52	400.70	12.16	-37.36
CC([NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C(C)C1=CC=CC=C1	REAL300018501852	0	54	0.0	-36.58	368.38	11.65	-24.93
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018501853	0	53	0.0	-37.85	374.45	11.08	-26.77
CC1CN(CC2=CC=CC=C2)CC1[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501854	0	60	0.0	-31.72	416.73	10.02	-21.70
COC1=CC=CC2=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=CC=C12	REAL300018501855	0	55	0.0	-49.24	403.05	11.81	-37.43
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018501856	0	52	0.0	-33.07	375.53	10.12	-22.95
CC(CCC1=CC=CN=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501857	0	53	0.0	-42.65	378.90	10.51	-32.14
CC(C)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501858	0	54	0.0	-36.08	390.17	12.20	-23.88
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)O1	REAL300018501859	0	47	0.0	-42.60	367.37	3.41	-39.19
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018501860	0	56	0.0	-41.74	405.51	13.15	-28.59
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018501861	0	59	0.0	-52.54	392.56	9.81	-42.73
COC1=CN=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1C	REAL300018501862	0	51	0.0	-37.27	367.60	8.44	-28.83
NC1=C(Cl)C=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501863	0	47	0.0	-35.56	353.89	8.92	-26.64
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018501864	0	48	0.0	-54.95	374.26	11.52	-43.43
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018501865	0	47	0.0	-37.90	352.51	9.06	-28.84
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018501866	0	45	0.0	-52.65	364.73	10.62	-42.03
CC1=C2C=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)NC2=CC=C1	REAL300018501867	0	52	0.0	-37.81	382.42	10.89	-26.92
CCOC1CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501868	0	55	0.0	-46.19	384.32	9.80	-36.39
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018501869	0	45	0.0	-37.49	360.56	10.42	-27.07
CCCOC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1	REAL300018501870	0	58	0.0	-48.03	421.57	11.96	-36.07
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC1CC1	REAL300018501871	0	57	0.0	-41.03	419.45	11.17	-29.86
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018501872	0	58	0.0	-37.36	383.57	11.67	-25.69
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018501873	0	47	0.0	-40.98	357.97	9.39	-31.59
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018501874	0	55	0.0	-39.84	379.50	12.14	-27.70
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC=C(Br)S1	REAL300018501875	0	41	0.0	-39.17	336.43	8.15	-31.02
CCC1(C)CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501876	0	57	0.0	-48.93	380.29	11.07	-37.86
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018501877	0	55	0.0	-39.83	374.67	11.97	-27.86
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C(F)F)=N1	REAL300018501878	0	48	0.0	-43.86	361.38	8.97	-34.89
CC([NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1CCCCCC1	REAL300018501879	0	57	0.0	-33.21	367.34	11.02	-22.19
CC([NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018501880	0	57	0.0	-34.41	408.99	12.30	-22.11
CCC1(CC)CCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501881	0	60	0.0	-49.01	394.99	11.57	-37.44
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018501882	0	53	0.0	-37.14	376.71	10.26	-26.88
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018501883	0	52	0.0	-55.62	383.95	12.24	-43.38
CC(CC1=COC2=CC=CC=C12)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501884	0	54	0.0	-31.93	386.81	11.67	-20.26
NS(=O)(=O)C1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501885	0	50	0.0	-50.58	384.18	5.22	-45.36
CCCN1N=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501886	0	51	0.0	-38.65	366.73	9.40	-29.25
CC1=CC=C2C=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)NC2=C1	REAL300018501887	0	52	0.0	-39.82	383.16	10.86	-28.96
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C2CCCN2N=C1	REAL300018501888	0	49	0.0	-36.03	356.43	8.88	-27.15
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NN2CCCC2=C1	REAL300018501889	0	49	0.0	-34.47	356.49	8.79	-25.68
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018501890	0	44	0.0	-40.64	355.30	8.59	-32.05
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300018501891	0	49	0.0	-40.21	373.81	10.01	-30.20
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501892	0	53	0.0	-55.04	392.75	11.96	-43.08
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018501893	0	61	0.0	-38.75	416.59	13.25	-25.50
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018501894	0	47	0.0	-37.83	352.61	7.76	-30.07
CC1=CC(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=C2)=CC(C)=C1	REAL300018501895	0	61	0.0	-38.77	446.98	15.04	-23.73
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=C(Cl)C=C1	REAL300018501896	0	55	0.0	-36.88	397.66	12.79	-24.09
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1N1C=NC=N1	REAL300018501897	0	54	0.0	-45.43	403.30	13.85	-31.58
CCC1CCCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501898	0	57	0.0	-32.73	371.75	11.11	-21.62
CC1(C)CCCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501899	0	57	0.0	-39.24	363.02	10.64	-28.60
CC(C)(C)C1CCCC([NH2+][C@H](CC(=O)[O-])CC2CCCCC2)CC1	REAL300018501900	0	63	0.0	-32.89	404.14	11.96	-20.93
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018501901	0	48	0.0	-37.62	364.25	10.88	-26.74
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018501902	0	52	0.0	-44.64	394.33	10.84	-33.80
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018501903	0	52	0.0	-39.87	393.76	8.57	-31.30
COC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(Br)=C1	REAL300018501904	0	49	0.0	-45.47	379.62	10.14	-35.33
COCC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501905	0	52	0.0	-38.44	384.96	10.00	-28.44
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501906	0	55	0.0	-53.74	429.68	12.58	-41.16
CN(C)CC1=NC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CS1	REAL300018501907	0	52	0.0	-31.46	391.17	6.78	-24.68
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018501908	0	56	0.0	-52.74	434.47	14.44	-38.30
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C(OC(F)F)C=C1C	REAL300018501909	0	55	0.0	-47.54	410.76	11.18	-36.36
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501910	0	62	0.0	-36.50	428.29	10.93	-25.57
CC1=CC=C(CC[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501911	0	51	0.0	-37.05	372.86	11.73	-25.32
COC1=CC(C)=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC	REAL300018501912	0	56	0.0	-37.63	401.89	10.06	-27.57
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018501913	0	52	0.0	-34.61	371.05	12.24	-22.37
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300018501914	0	47	0.0	-47.59	387.36	12.21	-35.38
CC1=C(Br)C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018501915	0	45	0.0	-36.17	361.50	10.73	-25.44
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CCC1=CC=C(F)C=C1F	REAL300018501916	0	48	0.0	-55.85	367.21	11.20	-44.65
CC1=CC(C)=CC(CC[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501917	0	54	0.0	-53.79	398.04	12.42	-41.37
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300018501918	0	52	0.0	-44.40	398.71	10.68	-33.72
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCCC1C1=CC=CC=C1Cl	REAL300018501919	0	58	0.0	-40.60	421.02	13.53	-27.07
COC1=CC=C(CC(C)[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1OC	REAL300018501920	0	62	0.0	-32.80	429.89	10.92	-21.88
COC1=CC=C(N2C=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=N2)C=C1	REAL300018501921	0	56	0.0	-45.18	418.27	10.79	-34.39
CC(CCC1=CSC=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501922	0	51	0.0	-38.07	374.05	11.23	-26.84
COCCC1=CC=C(OCC(C)[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1	REAL300018501923	0	62	0.0	-39.79	445.47	10.69	-29.10
CCC(CC1=CC=C(Br)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501924	0	54	0.0	-40.30	392.40	12.03	-28.27
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501925	0	55	0.0	-44.53	421.27	12.71	-31.82
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(F)C=NC=C1Br	REAL300018501926	0	44	0.0	-31.79	348.64	9.06	-22.73
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018501927	0	58	0.0	-50.49	419.84	13.85	-36.64
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300018501928	0	58	0.0	-36.13	421.53	13.39	-22.74
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300018501929	0	49	0.0	-36.63	374.67	9.25	-27.38
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018501930	0	51	0.0	-40.38	386.13	8.52	-31.86
CC(CC1=CN(C)N=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501931	0	51	0.0	-33.44	361.17	9.00	-24.44
CN1N=CC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CN=C21	REAL300018501932	0	50	0.0	-46.66	374.26	9.41	-37.25
CC(CCC1=CC=C(F)C=C1F)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501933	0	54	0.0	-38.61	395.10	12.34	-26.27
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501934	0	55	0.0	-29.58	417.06	12.94	-16.64
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501935	1	65	0.0	-36.04	451.79	12.47	-23.57
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501936	0	57	0.0	-42.16	409.97	12.41	-29.75
COCC(CC1CCOCC1)[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501937	0	59	0.0	-32.56	391.23	8.94	-23.62
CN1C=C(CCC[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=N1	REAL300018501938	0	51	0.0	-42.82	375.78	9.63	-33.19
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC=C1Cl	REAL300018501939	0	55	0.0	-38.27	395.33	13.24	-25.03
CN1CCN(C2=NC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=N2)CC1	REAL300018501940	0	60	0.0	-55.18	437.23	8.59	-46.59
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018501941	0	56	0.0	-41.19	415.83	13.60	-27.59
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018501942	0	58	0.0	-45.22	425.01	11.61	-33.61
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501943	0	54	0.0	-49.30	415.31	11.63	-37.67
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300018501944	0	58	0.0	-33.13	413.51	13.77	-19.36
CC1CCC2=C(C1)SC(C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1)=N2	REAL300018501945	0	54	0.0	-38.71	399.22	10.62	-28.09
CCC1=CN=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)S1	REAL300018501946	0	47	0.0	-38.26	358.14	9.01	-29.25
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300018501947	0	60	0.0	-33.00	422.70	12.17	-20.83
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2COCCC2C1	REAL300018501948	0	56	0.0	-39.14	372.09	9.51	-29.63
CC1(C)CC2(CC([NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C2)CO1	REAL300018501949	0	56	0.0	-35.95	389.35	9.66	-26.29
CC1CC2(CC([NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C2)CO1	REAL300018501950	0	53	0.0	-36.25	369.51	8.99	-27.26
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018501951	0	53	0.0	-36.30	375.29	10.45	-25.85
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018501952	0	52	0.0	-40.63	367.61	11.17	-29.46
CN1C=NC2=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=C21	REAL300018501953	0	51	0.0	-36.92	363.21	11.28	-25.64
COC1=CC=C(C)C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501954	0	52	0.0	-33.30	371.73	10.16	-23.14
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NOC(C2CCC2)=C1	REAL300018501955	0	51	0.0	-32.10	375.11	10.54	-21.56
CC1(C2=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=NO2)CC1	REAL300018501956	0	51	0.0	-32.31	377.47	10.42	-21.89
CCC1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501957	0	51	0.0	-45.58	367.41	11.59	-33.99
CC1=CC(F)=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501958	0	48	0.0	-41.02	357.72	11.01	-30.01
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C)=C1C	REAL300018501959	0	54	0.0	-33.68	378.33	11.98	-21.70
CC(C)(C)C1=CC=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501960	0	57	0.0	-31.42	379.82	12.28	-19.14
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018501961	0	55	0.0	-42.07	386.04	10.69	-31.38
COC1=CC=C2SC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CC2=C1	REAL300018501962	0	52	0.0	-37.39	396.88	11.11	-26.28
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CON=C1C1CC1	REAL300018501963	0	48	0.0	-41.68	358.16	9.89	-31.79
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018501964	0	51	0.0	-39.13	384.91	11.44	-27.69
CCN1CCC2=CC(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)=CC=C21	REAL300018501965	0	57	0.0	-37.30	402.40	10.41	-26.89
CC1(C)CC2(CO1)CCC([NH2+][C@H](CC(=O)[O-])CC1CCCCC1)CC2	REAL300018501966	0	62	0.0	-42.75	410.60	10.39	-32.36
CSC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1Cl	REAL300018501967	0	49	0.0	-36.75	384.81	11.76	-24.99
CC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=C1C1CC1	REAL300018501968	0	55	0.0	-36.27	396.37	12.90	-23.37
COC1=CC=CC2=C1CCCC([NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C2	REAL300018501969	0	59	0.0	-41.08	402.65	11.36	-29.72
CCOC1=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=CC=N1	REAL300018501970	0	51	0.0	-42.91	378.89	7.92	-34.99
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1C1CC1	REAL300018501971	0	55	0.0	-35.71	396.33	12.90	-22.81
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C(C)=C2)C=C1	REAL300018501972	0	58	0.0	-43.94	422.57	12.64	-31.30
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018501973	0	51	0.0	-40.18	401.16	12.17	-28.01
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501974	0	55	0.0	-52.87	424.05	12.61	-40.26
CC1=NN(C2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=C2)C=C1Cl	REAL300018501975	0	55	0.0	-55.36	430.63	12.61	-42.75
CC(C)CC1CCCC1[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501976	0	57	0.0	-32.37	378.12	11.91	-20.46
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018501977	0	55	0.0	-52.38	406.00	6.78	-45.60
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NOC(C2CC2)=C1	REAL300018501978	0	48	0.0	-32.49	358.48	9.99	-22.50
CC1OC2=CC=C(C[NH2+][C@H](CC(=O)[O-])CC3CCCCC3)C=C2C1C	REAL300018501979	0	56	0.0	-38.64	403.30	11.38	-27.26
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1OC(F)F	REAL300018501980	0	52	0.0	-41.49	389.28	10.60	-30.89
CC(C)C1=CC=C(O)C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501981	0	55	0.0	-34.30	397.96	9.57	-24.73
CC1=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)NN=C1C(F)(F)F	REAL300018501982	0	48	0.0	-55.71	369.24	8.19	-47.52
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2(CCC2)CC1	REAL300018501983	0	55	0.0	-37.20	368.94	11.15	-26.05
CC1=CC=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C=C1O	REAL300018501984	0	49	0.0	-39.96	361.04	8.18	-31.78
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018501985	0	48	0.0	-39.90	365.80	9.53	-30.37
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018501986	0	51	0.0	-34.63	379.50	9.19	-25.44
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018501987	0	50	0.0	-41.52	365.80	10.12	-31.40
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018501988	0	52	0.0	-33.20	372.85	9.33	-23.87
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018501989	0	53	0.0	-37.99	383.64	10.37	-27.62
CC1=CC=CC(F)=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501990	0	48	0.0	-39.16	352.28	10.80	-28.36
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CC=CC=C1C1CCC1	REAL300018501991	0	55	0.0	-34.42	387.73	12.71	-21.71
CN1C=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)C(C2CCOCC2)=N1	REAL300018501992	0	59	0.0	-41.21	427.72	9.44	-31.77
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018501993	0	53	0.0	-42.99	394.19	10.12	-32.87
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018501994	0	59	0.0	-39.42	428.47	12.09	-27.33
CSC1=CC=CC(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)=C1	REAL300018501995	0	49	0.0	-40.22	370.16	11.29	-28.93
CC(C)(C)N1N=CC=C1C[NH2+][C@H](CC(=O)[O-])CC1CCCCC1	REAL300018501996	0	54	0.0	-35.73	371.46	9.51	-26.22
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018501997	0	52	0.0	-34.26	376.54	12.15	-22.11
CC(C)C1=C(C[NH2+][C@H](CC(=O)[O-])CC2CCCCC2)N(C)N=C1	REAL300018501998	0	54	0.0	-50.30	396.02	9.80	-40.50
O=C([O-])C[C@H](CC1CCCCC1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018501999	0	52	0.0	-54.11	395.20	12.59	-41.52
CCC([NH2+][C@H](CC(=O)[O-])CC1CCCCC1)C(C)CC1=CC=CC=C1	REAL300018502000	0	60	0.0	-35.24	406.88	13.04	-22.20
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018503513	0	44	0.0	-34.95	343.16	10.87	-24.08
CC1(C)CC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC(C)(C)C1	REAL300018503514	0	57	0.0	-37.32	374.57	10.70	-26.62
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018503515	0	49	0.0	-39.09	372.91	11.85	-27.24
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503516	0	55	0.0	-37.04	387.11	11.70	-25.34
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(Cl)=C1OC	REAL300018503517	0	50	0.0	-29.95	375.86	9.28	-20.67
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018503518	0	49	0.0	-36.32	369.77	12.23	-24.09
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018503519	0	45	0.0	-36.85	340.34	11.16	-25.69
CC(C)OC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503520	0	52	0.0	-33.76	371.47	10.46	-23.30
CCCCCCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503521	0	64	0.0	-33.40	460.86	13.76	-19.64
CC(C[NH2+]C(CC(=O)[O-])CC1CCCC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018503522	0	63	0.0	-50.27	450.63	14.09	-36.18
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018503523	0	46	0.0	-36.29	344.11	9.76	-26.53
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018503524	0	41	0.0	-47.65	325.57	9.47	-38.18
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018503525	0	55	0.0	-31.69	393.70	9.07	-22.62
CC(C)CC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503526	0	54	0.0	-33.11	383.59	12.29	-20.82
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=C2)C=C1	REAL300018503527	0	55	0.0	-50.16	413.07	13.80	-36.36
COC1=CC=C(Br)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503528	0	46	0.0	-32.16	345.44	9.45	-22.71
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1[N+](=O)[O-]	REAL300018503529	0	48	0.0	-43.17	369.00	10.43	-32.74
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018503530	0	42	0.0	-38.13	347.38	10.75	-27.38
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503531	0	55	0.0	-33.26	398.49	13.68	-19.58
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018503532	0	46	0.0	-52.13	356.71	9.30	-42.83
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300018503533	0	52	0.0	-40.78	402.42	10.94	-29.84
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OCC	REAL300018503534	0	56	0.0	-40.00	415.93	10.73	-29.27
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018503535	0	45	0.0	-35.43	354.33	11.03	-24.40
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018503536	0	42	0.0	-31.70	332.42	10.51	-21.19
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018503537	0	45	0.0	-57.16	357.77	8.85	-48.31
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018503538	0	47	0.0	-34.73	346.16	10.16	-24.57
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018503539	0	46	0.0	-51.62	363.30	9.54	-42.08
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503540	0	48	0.0	-42.95	362.72	7.14	-35.81
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503541	0	56	0.0	-35.29	410.61	12.66	-22.63
CC(CCOCC1=CC=CC=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503542	0	55	0.0	-49.66	407.78	11.11	-38.55
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018503543	0	49	0.0	-38.87	369.86	11.84	-27.03
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018503544	0	52	0.0	-35.90	393.34	13.53	-22.37
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018503545	0	52	0.0	-51.92	408.24	13.67	-38.25
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018503546	0	52	0.0	-53.37	416.58	12.64	-40.73
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C2=CC=CC=C12	REAL300018503547	0	52	0.0	-35.71	379.73	11.11	-24.60
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503548	0	48	0.0	-49.58	363.72	10.09	-39.49
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018503549	0	47	0.0	-35.62	338.35	9.44	-26.18
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(Br)=C1	REAL300018503550	0	39	0.0	-37.15	317.17	9.35	-27.80
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OCC1=CC=CN=C1	REAL300018503551	0	59	0.0	-44.14	448.83	11.08	-33.06
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018503552	0	55	0.0	-37.42	414.57	11.47	-25.95
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C(C2=CC=CC=C2)C=C1OC	REAL300018503553	0	60	0.0	-34.68	441.65	12.54	-22.14
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018503554	0	55	0.0	-39.36	414.62	11.44	-27.92
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018503555	0	53	0.0	-35.93	378.21	9.53	-26.40
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503556	0	50	0.0	-59.49	391.03	6.44	-53.05
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018503557	0	46	0.0	-34.91	343.45	9.71	-25.20
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018503558	0	46	0.0	-38.10	344.84	9.72	-28.38
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018503559	0	45	0.0	-30.51	338.96	8.83	-21.68
CC1(C)CCC2=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CC=C2O1	REAL300018503560	0	56	0.0	-34.25	393.07	11.42	-22.83
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503561	0	57	0.0	-38.65	382.51	11.75	-26.90
CN(C)C1=CC=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503562	0	50	0.0	-29.64	338.46	11.10	-18.54
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018503563	0	51	0.0	-35.38	371.66	11.27	-24.11
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018503564	0	51	0.0	-53.97	386.72	11.40	-42.57
CN1CCN(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=C2)CC1	REAL300018503565	1	59	0.0	-37.36	422.69	8.40	-28.96
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503566	0	58	0.0	-35.99	415.52	7.38	-28.61
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018503567	0	51	0.0	-38.32	383.20	8.09	-30.23
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018503568	0	52	0.0	-35.01	359.69	7.39	-27.62
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018503569	0	57	0.0	-32.66	408.24	10.57	-22.09
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018503570	0	57	0.0	-33.05	411.59	10.54	-22.51
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018503571	0	56	0.0	-50.41	403.51	8.23	-42.18
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018503572	0	49	0.0	-36.44	370.06	10.97	-25.47
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503573	0	55	0.0	-36.32	414.12	12.20	-24.12
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018503574	0	49	0.0	-36.08	380.37	11.44	-24.64
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503575	0	55	0.0	-33.84	412.06	11.95	-21.89
CC(C)(C)N1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=N1	REAL300018503576	0	51	0.0	-38.32	368.65	9.51	-28.81
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC(C)=C1OCC1=CC=CC=N1	REAL300018503577	0	61	0.0	-40.34	459.32	12.78	-27.56
CN1CCN(C2=CC=CC(Cl)=C2C[NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503578	1	59	0.0	-32.11	435.27	9.73	-22.38
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018503580	0	49	0.0	-36.12	373.35	10.30	-25.82
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018503582	0	46	0.0	-33.60	364.45	10.04	-23.56
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018503583	0	49	0.0	-38.58	387.78	12.92	-25.66
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300018503584	0	52	0.0	-39.09	375.58	8.16	-30.93
COC1=CC=CC(C2=NNC=C2C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503585	0	53	0.0	-40.20	379.58	8.84	-31.36
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1OCC(F)(F)F	REAL300018503586	0	53	0.0	-57.06	418.34	10.33	-46.73
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018503587	0	52	0.0	-42.83	382.54	9.58	-33.25
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018503588	0	55	0.0	-37.14	408.57	11.12	-26.02
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018503589	0	55	0.0	-51.84	421.33	11.33	-40.51
CC(C)C1=NN(C)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503591	0	51	0.0	-35.94	374.96	9.54	-26.40
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(Br)=C2OCCOC2=C1	REAL300018503592	0	48	0.0	-37.95	367.27	9.43	-28.52
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300018503593	0	52	0.0	-44.94	401.95	11.77	-33.17
COCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503594	0	53	0.0	-50.32	402.28	9.24	-41.08
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1Cl	REAL300018503595	0	46	0.0	-43.10	359.01	9.54	-33.56
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2OC1	REAL300018503596	0	48	0.0	-35.29	369.07	10.69	-24.60
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018503597	0	48	0.0	-38.55	381.60	11.17	-27.38
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018503598	0	47	0.0	-52.85	377.56	8.67	-44.18
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300018503599	0	50	0.0	-36.40	370.93	9.50	-26.90
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503600	0	54	0.0	-47.91	398.68	11.31	-36.60
COC1=NC=C(Br)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503601	0	45	0.0	-32.73	360.97	7.12	-25.61
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018503602	0	41	0.0	-50.75	333.59	8.51	-42.24
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018503603	0	51	0.0	-35.86	377.12	6.95	-28.91
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018503604	0	47	0.0	-35.86	346.31	10.22	-25.64
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018503605	0	49	0.0	-51.64	388.38	10.41	-41.23
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018503606	0	48	0.0	-34.59	352.76	9.10	-25.49
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018503607	0	51	0.0	-38.91	369.97	9.90	-29.01
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018503608	0	49	0.0	-42.27	363.58	11.90	-30.37
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(C2=CC=CC(Br)=C2)C1	REAL300018503609	0	49	0.0	-42.27	368.15	12.00	-30.27
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018503610	0	49	0.0	-37.29	364.38	11.64	-25.65
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018503611	0	50	0.0	-37.90	370.59	10.87	-27.03
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018503612	0	53	0.0	-38.04	379.58	7.96	-30.08
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503613	0	54	0.0	-49.75	403.19	11.81	-37.94
CCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503614	0	52	0.0	-48.52	390.15	10.77	-37.75
C#CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503615	0	51	0.0	-34.91	380.65	11.16	-23.75
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018503616	0	49	0.0	-35.29	369.22	12.21	-23.08
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018503617	0	49	0.0	-34.98	379.13	12.40	-22.58
CC1=C2C=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=NC2=NN1	REAL300018503618	0	47	0.0	-49.08	345.46	8.13	-40.95
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018503619	0	56	0.0	-48.10	412.26	11.96	-36.14
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1N1C=NC=N1	REAL300018503620	0	48	0.0	-35.25	336.41	12.12	-23.13
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2=CC=CN=C2)=N1	REAL300018503621	0	51	0.0	-36.22	369.00	9.12	-27.10
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2=CC=NC=C2)=N1	REAL300018503622	0	51	0.0	-35.09	370.85	8.88	-26.21
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C2C=CC=CN12	REAL300018503623	0	45	0.0	-34.26	331.03	10.10	-24.16
CN(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)S1	REAL300018503624	0	46	0.0	-34.82	345.07	8.55	-26.27
CC(C)OC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503625	0	52	0.0	-49.77	388.10	10.62	-39.15
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018503626	0	55	0.0	-38.43	418.52	11.93	-26.50
CC1=CC=C(C2=NC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CS2)C=C1	REAL300018503627	0	51	0.0	-41.60	400.16	11.20	-30.40
CC(C)C1=NC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CS1	REAL300018503628	0	47	0.0	-47.63	365.06	8.77	-38.86
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C2CC2)=N1	REAL300018503629	0	45	0.0	-40.20	350.36	8.97	-31.23
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018503630	0	56	0.0	-50.88	432.28	13.19	-37.69
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(COC2=CC=CC=C2)=N1	REAL300018503631	0	52	0.0	-50.76	413.73	10.04	-40.72
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503632	0	51	0.0	-37.98	367.52	11.76	-26.22
CC1=CC=CC(CCC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503633	0	54	0.0	-35.21	382.51	12.36	-22.85
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503634	0	54	0.0	-38.33	399.84	12.69	-25.64
CC1=CC=C(CCC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503635	0	54	0.0	-34.71	386.97	12.52	-22.19
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300018503636	0	57	0.0	-34.81	411.21	10.33	-24.48
CC(C1=CC=CC=C1)N1CCC([NH2+]C(CC(=O)[O-])CC2CCCC2)C1	REAL300018503637	0	57	0.0	-31.30	394.14	10.04	-21.26
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018503638	0	54	0.0	-40.45	401.37	11.51	-28.94
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CC2CC2)CC1	REAL300018503639	1	54	0.0	-32.35	362.45	8.40	-23.95
CC1=CC=C(OCC2=NC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CS2)C=C1	REAL300018503640	0	55	0.0	-50.75	435.14	10.72	-40.03
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503641	0	65	0.0	-36.06	469.11	14.10	-21.96
CC(C)(C)C1=NC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CS1	REAL300018503642	0	50	0.0	-47.31	384.00	9.28	-38.03
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018503643	0	45	0.0	-48.97	373.18	9.47	-39.50
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018503644	0	49	0.0	-39.63	377.46	12.48	-27.15
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018503645	0	54	0.0	-51.59	401.43	10.42	-41.17
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018503646	0	46	0.0	-45.61	349.52	8.11	-37.50
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300018503647	0	56	0.0	-33.99	404.76	12.23	-21.76
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018503648	0	45	0.0	-51.03	360.99	10.75	-40.28
CC(C)(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)S1	REAL300018503649	0	50	0.0	-33.65	370.33	9.42	-24.23
CC(C)CN1CCC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503650	1	56	0.0	-48.23	390.50	9.02	-39.21
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503651	0	59	0.0	-33.79	441.38	10.79	-23.00
CC1=CC=C(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)S2)C=C1	REAL300018503652	0	52	0.0	-36.57	392.45	13.09	-23.48
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300018503653	0	48	0.0	-36.92	375.93	10.20	-26.72
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503654	0	46	0.0	-31.32	361.59	10.28	-21.04
C#CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503655	0	48	0.0	-35.42	359.16	10.39	-25.03
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503656	0	54	0.0	-40.35	400.44	13.22	-27.13
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018503657	0	53	0.0	-36.12	404.82	12.63	-23.49
CCOC1=C(OC)C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OC	REAL300018503658	0	57	0.0	-42.33	427.67	9.80	-32.53
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018503659	0	56	0.0	-38.06	398.71	8.41	-29.65
CC(C)(C)N1CCC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503660	1	56	0.0	-28.75	362.89	8.06	-20.69
COCCCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503661	0	56	0.0	-50.45	423.98	9.81	-40.64
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1SC	REAL300018503662	0	50	0.0	-41.15	382.39	10.04	-31.11
CCC(C)OC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1OC	REAL300018503663	0	59	0.0	-39.71	432.82	11.22	-28.49
C=C(C)COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1OC	REAL300018503664	0	57	0.0	-40.85	426.40	11.17	-29.68
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OCCC(C)C	REAL300018503665	0	62	0.0	-39.92	454.65	11.91	-28.01
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018503666	0	63	0.0	-30.51	421.16	5.66	-24.85
CCOCC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1OC	REAL300018503667	0	56	0.0	-34.70	417.06	9.90	-24.80
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018503668	0	49	0.0	-39.01	363.57	9.59	-29.42
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503669	0	51	0.0	-36.95	388.04	10.84	-26.11
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503670	0	52	0.0	-33.16	406.95	8.44	-24.72
CCCC(CC1=CC=CC=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503671	0	54	0.0	-39.91	376.68	12.50	-27.41
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN(C2=CC=CC=C2)N=N1	REAL300018503672	0	48	0.0	-55.57	370.20	9.56	-46.01
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018503673	0	48	0.0	-47.80	380.45	10.49	-37.31
CCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1C	REAL300018503674	0	51	0.0	-36.15	362.52	9.22	-26.93
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503675	0	54	0.0	-36.94	404.30	12.84	-24.10
C=CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1Cl	REAL300018503676	0	50	0.0	-53.44	398.45	11.11	-42.33
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018503677	0	48	0.0	-35.69	368.41	10.66	-25.03
COCCC(CC1=CC=CC(F)=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503678	0	55	0.0	-36.98	383.45	9.95	-27.03
CC(C)CCC1CCCC1[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503679	0	57	0.0	-32.65	383.67	12.16	-20.49
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C2OC(C)CC2=C1	REAL300018503680	0	54	0.0	-30.51	383.10	9.66	-20.85
CN1N=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C2=CC=CC=C21	REAL300018503681	0	48	0.0	-47.41	367.24	9.66	-37.75
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C2C=CC=CC2=NN1	REAL300018503682	0	45	0.0	-37.74	326.77	8.17	-29.57
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NNC2=CC=CC=C21	REAL300018503682	1	45	0.0	-33.74	341.00	8.37	-25.37
CN(C)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1F	REAL300018503683	0	50	0.0	-43.24	374.39	9.23	-34.01
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC=CN1CC(F)(F)F	REAL300018503684	0	45	0.0	-54.50	354.50	9.23	-45.27
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503686	0	57	0.0	-38.50	394.35	12.75	-25.75
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C2=CC=C3OCOC3=C2)=N1	REAL300018503687	0	51	0.0	-52.52	408.19	9.20	-43.32
CC1(C)CC2=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CC=C2O1	REAL300018503688	0	53	0.0	-51.57	394.72	10.99	-40.58
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=COC(C2=CC=CC=C2)=N1	REAL300018503689	0	48	0.0	-51.73	373.96	8.17	-43.56
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C2=CC=CS2)=N1	REAL300018503690	0	45	0.0	-49.72	373.77	9.57	-40.15
CC1=CC=CC(C2=NNC=C2C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503691	0	52	0.0	-37.65	371.48	10.20	-27.45
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC(C(F)(F)F)=C1	REAL300018503692	0	49	0.0	-40.92	381.70	9.98	-30.94
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(Br)C=C1Cl	REAL300018503693	0	42	0.0	-28.47	335.20	10.56	-17.91
CC(CSC(C)(C)C)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503694	0	51	0.0	-44.81	372.67	10.48	-34.33
CN(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)N1C	REAL300018503695	0	50	0.0	-33.43	362.17	8.72	-24.71
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC(C2=CC=CC=C2)=CN1	REAL300018503696	0	49	0.0	-54.37	376.22	10.05	-44.32
CC(C)COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503697	0	55	0.0	-33.39	394.97	11.34	-22.05
COCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503698	0	53	0.0	-35.28	387.00	9.11	-26.17
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503699	0	51	0.0	-40.50	381.66	12.01	-28.49
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1	REAL300018503700	0	46	0.0	-53.91	373.45	9.87	-44.04
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C2=CC=CC([N+](=O)[O-])=C2)=N1	REAL300018503701	0	50	0.0	-54.89	410.34	11.20	-43.69
CC1=CC(N(C)C)=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503702	0	53	0.0	-33.14	375.84	10.93	-22.21
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2CCCC2=C1	REAL300018503703	0	49	0.0	-48.25	362.81	11.65	-36.60
CC1=CC=CC=C1CC(C)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503704	0	51	0.0	-48.72	368.50	11.50	-37.22
CC1=CC=CC(CC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503705	0	51	0.0	-37.44	367.80	11.63	-25.81
COC1=CC2=C(C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1)OCO2	REAL300018503706	0	49	0.0	-34.42	363.99	7.90	-26.52
COC1=CC(Cl)=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OC	REAL300018503707	0	50	0.0	-36.71	373.81	9.32	-27.39
CC(C)COC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503708	0	55	0.0	-48.28	410.26	11.47	-36.81
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300018503709	0	62	0.0	-35.17	442.03	8.47	-26.70
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(F)C2=CC=CC=C12	REAL300018503710	0	48	0.0	-37.08	356.93	11.79	-25.29
C=CCOC1=C(Cl)C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OC	REAL300018503711	0	54	0.0	-39.84	426.94	11.06	-28.78
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1CN1C=CC=N1	REAL300018503712	0	56	0.0	-40.16	414.64	10.58	-29.58
CC(C)COC1=CC=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503713	0	55	0.0	-32.97	401.45	11.68	-21.29
CC1(C)CC2=CC=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=C2O1	REAL300018503714	0	53	0.0	-36.92	381.87	10.85	-26.07
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C(Cl)C=NC=C1Cl	REAL300018503715	0	41	0.0	-29.22	321.23	8.58	-20.64
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC2=C(CCCC2)S1	REAL300018503716	0	48	0.0	-31.93	362.44	9.48	-22.45
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=NC=C1Br	REAL300018503717	0	41	0.0	-35.98	312.47	8.39	-27.59
CC(C)(C[NH2+]C(CC(=O)[O-])CC1CCCC1)N1CCOCC1	REAL300018503718	0	54	0.0	-32.90	361.92	6.65	-26.25
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018503719	0	42	0.0	-52.38	345.88	10.43	-41.95
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503720	0	48	0.0	-43.81	366.24	11.90	-31.91
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2=CC=CC=C2)=N1	REAL300018503721	0	52	0.0	-37.44	372.51	10.80	-26.64
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018503722	0	49	0.0	-33.38	360.79	10.81	-22.57
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300018503723	0	47	0.0	-52.18	376.45	11.32	-40.86
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018503724	0	47	0.0	-37.36	343.31	10.09	-27.27
CC1=C(Br)SC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503725	0	42	0.0	-36.34	334.71	10.07	-26.27
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018503726	0	45	0.0	-38.10	325.44	8.21	-29.89
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018503727	0	45	0.0	-31.50	325.83	8.56	-22.94
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC(Br)=CC=C2O1	REAL300018503728	0	45	0.0	-52.26	366.46	10.88	-41.38
CS(=O)(=O)N1CCC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503729	0	50	0.0	-46.80	354.91	5.37	-41.43
COC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503730	0	46	0.0	-39.68	349.39	9.06	-30.62
CC(C)(C)C1=NC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=N1	REAL300018503731	0	52	0.0	-53.39	389.07	9.68	-43.71
COC1=CC=CC=C1N1CCC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503732	0	58	0.0	-50.78	418.04	9.65	-41.13
CC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(Cl)=C1	REAL300018503733	0	45	0.0	-27.73	335.31	10.62	-17.11
COC1=CC=C(OC(F)F)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503734	0	50	0.0	-34.34	377.21	8.81	-25.53
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300018503735	0	46	0.0	-34.93	365.50	9.76	-25.17
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018503736	0	44	0.0	-50.41	354.15	10.73	-39.68
O=C([O-])CC(CC1CCCC1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018503737	0	45	0.0	-37.77	343.50	11.00	-26.77
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300018503738	0	62	0.0	-50.07	471.56	14.57	-35.50
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018503739	0	52	0.0	-34.26	354.48	11.97	-22.29
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1OC1=CC=CN=C1	REAL300018503740	0	55	0.0	-37.47	403.44	11.19	-26.28
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503741	0	48	0.0	-42.62	369.08	12.05	-30.57
CC1=CC=C(C2=NC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)S2)C=C1	REAL300018503742	0	51	0.0	-35.62	389.81	11.34	-24.28
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018503743	0	47	0.0	-34.91	360.47	10.66	-24.25
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018503744	0	47	0.0	-29.62	351.18	11.01	-18.61
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018503745	0	47	0.0	-34.63	355.32	10.44	-24.19
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018503746	0	47	0.0	-35.45	350.17	10.22	-25.23
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018503747	0	47	0.0	-34.18	364.17	10.82	-23.36
CS(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503748	0	47	0.0	-39.47	354.24	8.21	-31.26
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018503749	0	44	0.0	-33.35	342.12	10.62	-22.73
CC(C)CCN1C=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503750	0	55	0.0	-25.98	375.61	11.74	-14.24
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1	REAL300018503751	0	49	0.0	-51.83	392.03	11.80	-40.03
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)O1	REAL300018503752	0	52	0.0	-51.71	404.48	12.38	-39.33
CCC1=CC=C(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)O2)C=C1	REAL300018503753	0	55	0.0	-50.29	420.43	13.07	-37.22
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(OC(F)F)=C1	REAL300018503754	0	50	0.0	-36.38	377.20	8.82	-27.56
CCN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2=CC=CC=C2)=N1	REAL300018503755	0	55	0.0	-39.39	408.17	12.12	-27.27
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018503756	0	52	0.0	-47.85	379.99	12.23	-35.62
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018503757	0	61	0.0	-35.21	406.31	12.47	-22.74
CC1=CC=C(C(C)C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503758	0	51	0.0	-33.53	362.42	11.68	-21.85
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1C(C)(C)C	REAL300018503759	0	58	0.0	-33.69	403.12	11.61	-22.08
CC(C)(C)OC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503760	0	55	0.0	-48.24	397.86	10.87	-37.37
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503761	0	47	0.0	-42.61	356.26	4.57	-38.04
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018503762	0	49	0.0	-31.34	352.73	11.23	-20.11
CCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1	REAL300018503763	0	52	0.0	-32.93	375.87	10.74	-22.19
COC1=CC(C)=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503764	0	49	0.0	-33.01	359.38	9.92	-23.09
O=C([O-])CC(CC1CCCC1)[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018503765	0	52	0.0	-36.37	364.50	12.15	-24.22
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503766	0	44	0.0	-31.24	351.39	9.00	-22.24
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018503767	0	52	0.0	-37.52	371.72	11.92	-25.60
COCC1=CSC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503768	0	46	0.0	-34.54	348.75	8.47	-26.07
CCCC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)S1	REAL300018503769	0	48	0.0	-33.14	368.57	11.15	-21.99
CC1=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=CC=C1[N+](=O)[O-]	REAL300018503770	0	47	0.0	-39.38	348.84	11.00	-28.38
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1Br	REAL300018503771	0	45	0.0	-34.90	341.94	10.81	-24.09
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1Cl	REAL300018503772	0	46	0.0	-40.49	359.01	9.54	-30.95
COC1=CC=CC(C)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503773	0	49	0.0	-45.14	362.47	9.61	-35.53
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018503774	0	45	0.0	-31.10	326.82	10.01	-21.09
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018503775	0	49	0.0	-50.59	376.19	10.86	-39.73
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018503776	0	41	0.0	-37.84	329.55	8.04	-29.80
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018503777	0	49	0.0	-47.83	361.89	9.07	-38.76
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018503778	0	46	0.0	-37.72	344.99	11.07	-26.65
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018503779	0	47	0.0	-50.24	356.73	7.09	-43.15
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018503780	0	45	0.0	-35.31	347.76	10.60	-24.71
CC1=CC=CN2C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CN=C12	REAL300018503781	0	48	0.0	-34.26	352.49	10.69	-23.57
CN1C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CN=C1Br	REAL300018503782	0	42	0.0	-34.32	324.77	8.55	-25.77
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018503783	0	48	0.0	-57.24	376.61	9.63	-47.61
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018503784	0	42	0.0	-38.49	325.29	7.01	-31.48
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018503785	0	46	0.0	-40.11	342.23	9.73	-30.38
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018503786	0	46	0.0	-37.62	342.15	9.66	-27.96
CCOC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=N1	REAL300018503787	0	48	0.0	-41.81	362.94	7.32	-34.49
CC1=C(Cl)C=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503788	0	45	0.0	-33.00	339.29	10.88	-22.12
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018503789	0	44	0.0	-39.05	335.09	9.36	-29.69
CC1=CC=CC2=NC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)N21	REAL300018503790	0	48	0.0	-31.96	335.12	10.20	-21.76
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503791	0	54	0.0	-35.63	395.69	10.36	-25.27
CC1=CC(Cl)=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503792	0	45	0.0	-49.61	356.30	10.92	-38.69
COCC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503793	0	49	0.0	-34.34	357.09	9.35	-24.99
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018503794	0	47	0.0	-37.92	349.82	10.05	-27.87
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC2=CC=CN=C12	REAL300018503795	0	50	0.0	-53.85	378.53	10.93	-42.92
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1C	REAL300018503796	0	55	0.0	-35.08	395.36	11.37	-23.71
COC1=C(C)C=NC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1C	REAL300018503797	0	51	0.0	-46.31	379.77	8.52	-37.79
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503798	0	52	0.0	-33.94	383.67	11.52	-22.42
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCCC12CCCC2	REAL300018503799	0	55	0.0	-31.41	354.56	11.33	-20.08
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)S1	REAL300018503800	0	45	0.0	-45.79	356.29	6.32	-39.47
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C2N=CC(Br)=CN2N=C1	REAL300018503801	0	44	0.0	-32.35	345.31	9.53	-22.82
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)O2)C=C1	REAL300018503802	0	61	0.0	-50.12	453.66	13.95	-36.17
CC1CC([NH2+]C(CC(=O)[O-])CC2CCCC2)CCN1CC1=CC=CC=C1	REAL300018503803	0	60	0.0	-35.48	417.12	10.92	-24.56
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503804	0	62	0.0	-28.79	431.84	13.03	-15.76
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503805	0	62	0.0	-32.49	451.27	13.01	-19.48
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C(F)F)C=C1	REAL300018503806	0	45	0.0	-34.37	336.19	10.55	-23.82
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC(Cl)=CN=C2O1	REAL300018503807	0	44	0.0	-37.18	352.89	7.67	-29.51
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=C1CCC2	REAL300018503808	0	49	0.0	-47.22	361.52	11.57	-35.65
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C([N+](=O)[O-])=N1	REAL300018503809	0	44	0.0	-42.82	337.80	9.28	-33.54
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC(Cl)=CS1	REAL300018503810	0	38	0.0	-42.95	315.24	7.25	-35.70
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C2C=CC(Br)=CN12	REAL300018503811	0	45	0.0	-35.02	352.32	10.71	-24.31
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC=CC2=CC=CC=C21	REAL300018503812	0	47	0.0	-45.52	355.03	10.01	-35.51
COC1=CC=CC(Cl)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503813	0	46	0.0	-30.24	355.16	9.45	-20.79
CC1=NC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)N1C1=CC=CC=C1	REAL300018503814	0	52	0.0	-46.68	396.86	12.02	-34.66
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503815	0	60	0.0	-36.07	435.13	14.30	-21.77
CCCN1N=C(C)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1C	REAL300018503816	0	54	0.0	-35.93	384.02	9.98	-25.95
CCN(CC)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1F	REAL300018503817	0	56	0.0	-42.84	412.75	10.75	-32.09
CCOC1CC([NH2+]C(CC(=O)[O-])CC2CCCC2)C12CCCC2	REAL300018503818	0	56	0.0	-36.31	389.39	10.56	-25.75
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C(SC)C=C1OC	REAL300018503819	0	54	0.0	-32.26	395.36	9.54	-22.72
CN(C)C1=CC=C(N2CCC([NH2+]C(CC(=O)[O-])CC3CCCC3)CC2)C=C1	REAL300018503820	0	62	0.0	-51.78	436.77	10.43	-41.35
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503821	0	53	0.0	-39.21	384.93	11.98	-27.23
CCCC(C[NH2+]C(CC(=O)[O-])CC1CCCC1)C1=CC=CC=C1	REAL300018503822	0	54	0.0	-29.77	378.17	12.22	-17.55
CC1CC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC(C2=CC=CC=C2)C1	REAL300018503823	0	58	0.0	-32.30	371.66	12.87	-19.43
CC(C)OC1=CC=C(F)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503824	0	52	0.0	-33.44	385.00	10.95	-22.49
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC2=CC=C(F)C=C2S1	REAL300018503825	0	44	0.0	-48.38	355.38	9.26	-39.12
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(F)=CC=C1OC(F)F	REAL300018503826	0	46	0.0	-34.02	354.13	9.60	-24.42
COC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC2=CC=CC=C21	REAL300018503827	0	52	0.0	-51.62	391.77	11.34	-40.28
CCOC1=CN=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503828	0	48	0.0	-36.12	348.90	8.03	-28.09
CCOC1=CC(F)=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503829	0	49	0.0	-50.99	375.94	10.04	-40.95
COC1=CC=C(C(C)C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503830	0	52	0.0	-39.14	379.16	10.28	-28.86
CN1N=C(C2CC2)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503831	0	49	0.0	-35.12	356.43	9.32	-25.80
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2(CCCCC2)CC1	REAL300018503832	0	58	0.0	-35.17	382.39	11.54	-23.63
CC([NH2+]C(CC(=O)[O-])CC1CCCC1)C(C)C1=CC=CC=C1	REAL300018503833	0	51	0.0	-36.53	359.77	11.10	-25.43
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2	REAL300018503834	0	50	0.0	-37.72	358.27	10.54	-27.18
CC1CN(CC2=CC=CC=C2)CC1[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503835	0	57	0.0	-34.74	402.62	9.68	-25.06
COC1=CC=CC2=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=CC=C12	REAL300018503836	0	52	0.0	-33.48	379.06	11.39	-22.09
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=NN1CC1CC1	REAL300018503837	0	49	0.0	-30.95	343.83	9.24	-21.71
CC(CCC1=CC=CN=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503838	0	50	0.0	-37.09	358.76	10.17	-26.92
CC(C)C1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503839	0	51	0.0	-47.72	377.67	11.64	-36.08
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)O1	REAL300018503840	0	44	0.0	-51.11	351.27	2.87	-48.24
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1	REAL300018503841	0	53	0.0	-36.54	384.46	12.43	-24.11
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2(CCOCC2)CC1	REAL300018503842	0	56	0.0	-52.07	375.82	9.23	-42.84
COC1=CN=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1C	REAL300018503843	0	48	0.0	-34.10	349.09	8.00	-26.10
NC1=C(Cl)C=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503844	0	44	0.0	-31.71	334.64	8.50	-23.21
O=C([O-])CC(CC1CCCC1)[NH2+]CCC1=CC=C(F)C=C1Cl	REAL300018503845	0	45	0.0	-39.56	346.76	10.95	-28.61
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CN=CC=C2O1	REAL300018503846	0	44	0.0	-54.30	339.90	8.54	-45.76
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C(F)(F)F)S1	REAL300018503847	0	42	0.0	-38.42	334.09	9.94	-28.48
CC1=C2C=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)NC2=CC=C1	REAL300018503848	0	49	0.0	-51.36	370.67	10.32	-41.04
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CSC(C(F)(F)F)=C1	REAL300018503849	0	42	0.0	-34.12	333.97	9.80	-24.32
CCCOC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1	REAL300018503850	0	55	0.0	-32.69	397.36	11.53	-21.16
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OC1CC1	REAL300018503851	0	54	0.0	-40.44	403.03	10.59	-29.85
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2(CCCC2)CC1	REAL300018503852	0	55	0.0	-34.39	366.95	11.02	-23.37
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C(F)F)N=C1	REAL300018503853	0	44	0.0	-38.58	332.03	8.69	-29.89
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2=CC=CC=C2CC1	REAL300018503854	0	52	0.0	-39.09	365.57	11.59	-27.50
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC=C(Br)S1	REAL300018503855	0	38	0.0	-47.40	323.78	7.61	-39.79
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC2=CC=CC=C2C1	REAL300018503856	0	52	0.0	-36.66	357.53	11.64	-25.02
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C(F)F)=N1	REAL300018503857	0	45	0.0	-33.93	339.90	8.56	-25.37
CC([NH2+]C(CC(=O)[O-])CC1CCCC1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018503858	0	54	0.0	-28.80	394.24	12.12	-16.68
CCC1(CC)CCC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503859	0	57	0.0	-33.59	368.68	10.88	-22.71
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=C1CCOC2	REAL300018503860	0	50	0.0	-48.10	364.17	9.70	-38.40
O=C([O-])CC(CC1CCCC1)[NH2+]CC1CC1C1=CC=C(F)C=C1	REAL300018503861	0	49	0.0	-35.48	361.01	11.92	-23.56
CC(CC1=COC2=CC=CC=C12)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503862	0	51	0.0	-40.83	365.17	11.31	-29.52
NS(=O)(=O)C1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503863	0	47	0.0	-57.21	371.47	4.69	-52.52
CC1=CC=C2C=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)NC2=C1	REAL300018503864	0	49	0.0	-35.07	357.11	10.25	-24.82
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC=C(C(F)(F)F)S1	REAL300018503865	0	41	0.0	-49.55	342.65	8.05	-41.50
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(F)=C1OC(F)F	REAL300018503866	0	46	0.0	-30.90	344.86	9.65	-21.25
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503867	0	50	0.0	-54.82	373.83	11.25	-43.57
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCCC(C2=CC=CC=C2)C1	REAL300018503868	0	58	0.0	-35.83	395.47	12.79	-23.04
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=CN=C2O1	REAL300018503869	0	44	0.0	-56.05	339.94	7.22	-48.83
CC1=CC(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=C2)=CC(C)=C1	REAL300018503870	0	58	0.0	-34.89	419.02	14.35	-20.54
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC1C1=CC=C(Cl)C=C1	REAL300018503871	0	52	0.0	-40.22	381.69	12.25	-27.97
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1N1C=NC=N1	REAL300018503872	0	51	0.0	-42.04	376.21	13.12	-28.92
CC(C)(C)C1CCCC([NH2+]C(CC(=O)[O-])CC2CCCC2)CC1	REAL300018503873	0	60	0.0	-40.31	386.94	11.33	-28.98
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC(F)=CC=C2O1	REAL300018503874	0	45	0.0	-52.92	351.59	10.34	-42.58
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OCC(F)F)C=C1	REAL300018503875	0	49	0.0	-36.90	366.38	10.16	-26.74
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=C(C=C1OC(F)F)OCO2	REAL300018503876	0	49	0.0	-36.81	373.75	8.19	-28.62
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(Br)=C1	REAL300018503877	0	46	0.0	-32.26	355.49	9.73	-22.53
COCC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503878	0	49	0.0	-49.91	372.52	9.44	-40.47
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503879	0	52	0.0	-35.42	394.83	11.79	-23.63
CN(C)CC1=NC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CS1	REAL300018503880	0	49	0.0	-39.55	376.47	6.42	-33.13
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300018503881	0	53	0.0	-36.56	402.53	13.69	-22.87
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C(OC(F)F)C=C1C	REAL300018503882	0	52	0.0	-34.10	386.13	10.74	-23.36
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503883	0	59	0.0	-37.64	402.10	10.03	-27.61
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OC	REAL300018503884	0	53	0.0	-35.74	383.92	9.64	-26.10
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1C1CC1	REAL300018503885	0	49	0.0	-45.64	360.29	11.72	-33.92
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300018503886	0	44	0.0	-37.02	368.82	11.80	-25.22
CC1=C(Br)C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)S1	REAL300018503887	0	42	0.0	-32.96	335.80	10.14	-22.82
COC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1COC1=CC=CC=C1	REAL300018503888	0	60	0.0	-36.11	451.42	12.42	-23.69
O=C([O-])CC(CC1CCCC1)[NH2+]CCC1=CC=C(F)C=C1F	REAL300018503889	0	45	0.0	-40.91	338.46	10.58	-30.33
CC1=CC(C)=CC(CC[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503890	0	51	0.0	-36.97	377.85	11.79	-25.18
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300018503891	0	49	0.0	-34.98	366.79	10.06	-24.92
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCCC1C1=CC=CC=C1Cl	REAL300018503892	0	55	0.0	-29.31	399.72	12.84	-16.47
COC1=CC=C(CC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1OC	REAL300018503893	0	59	0.0	-28.77	381.96	9.15	-19.62
COC1=CC=C(N2C=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=N2)C=C1	REAL300018503894	0	53	0.0	-36.83	393.13	10.22	-26.61
CC(CCC1=CSC=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503895	0	48	0.0	-36.13	356.92	10.58	-25.55
COCCC1=CC=C(OCC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503896	0	59	0.0	-41.25	433.06	10.29	-30.96
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503897	0	51	0.0	-33.13	365.68	11.60	-21.53
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503898	0	52	0.0	-36.29	389.91	11.95	-24.34
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503899	0	57	0.0	-34.40	423.81	13.02	-21.38
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C(F)C=NC=C1Br	REAL300018503900	0	41	0.0	-31.66	315.90	8.27	-23.39
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1	REAL300018503901	0	55	0.0	-33.15	390.09	12.92	-20.23
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC1C1=CC=C(C(F)(F)F)C=C1	REAL300018503902	0	55	0.0	-35.92	384.55	12.86	-23.06
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CNN=C1C1=CSC=C1	REAL300018503903	0	46	0.0	-37.38	352.90	8.94	-28.44
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(C2=CC=CC=N2)=NN1	REAL300018503904	0	48	0.0	-37.07	360.35	7.90	-29.17
CN1N=CC2=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CN=C21	REAL300018503905	0	47	0.0	-43.80	348.67	8.75	-35.05
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503906	0	51	0.0	-55.63	385.96	11.96	-43.67
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503907	0	52	0.0	-30.39	400.27	12.32	-18.07
CSC1=CC(Br)=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503908	0	46	0.0	-29.06	358.49	11.00	-18.06
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503909	1	62	0.0	-35.88	434.74	11.80	-24.08
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503910	0	54	0.0	-42.47	394.14	12.82	-29.65
COCC(CC1CCOCC1)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503911	0	56	0.0	-37.60	390.88	8.09	-29.51
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC1C1=CC=CC=C1Cl	REAL300018503912	0	52	0.0	-34.02	351.12	11.81	-22.21
CN1CCN(C2=NC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=N2)CC1	REAL300018503913	0	57	0.0	-55.22	420.67	8.03	-47.19
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1	REAL300018503914	0	53	0.0	-35.74	394.77	12.88	-22.86
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300018503915	0	55	0.0	-28.12	399.07	11.25	-16.87
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503916	0	51	0.0	-56.17	402.66	11.08	-45.09
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC1C1=CC=CC(C(F)(F)F)=C1	REAL300018503917	0	55	0.0	-36.43	387.21	13.17	-23.26
CC1CCC2=C(C1)SC(C[NH2+]C(CC(=O)[O-])CC1CCCC1)=N2	REAL300018503918	0	51	0.0	-45.13	386.61	10.09	-35.04
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1N1CCCCC1	REAL300018503919	0	57	0.0	-43.35	411.48	11.74	-31.61
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2COCCC2C1	REAL300018503920	0	53	0.0	-35.13	353.08	9.01	-26.12
CC1(C)CC2(CC([NH2+]C(CC(=O)[O-])CC3CCCC3)C2)CO1	REAL300018503921	0	53	0.0	-54.38	381.28	9.28	-45.10
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCOC2=CC=CC=C2C1	REAL300018503922	0	50	0.0	-36.10	349.18	9.84	-26.26
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCCC2=C(C=CS2)C1	REAL300018503923	0	49	0.0	-39.45	347.33	10.79	-28.66
CN1C=NC2=CC=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=C21	REAL300018503924	0	48	0.0	-35.51	343.90	10.98	-24.53
COC1=CC=C(C)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503925	0	49	0.0	-32.91	354.01	9.81	-23.10
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NOC(C2CCC2)=C1	REAL300018503926	0	48	0.0	-49.25	362.45	9.99	-39.26
CC1(C2=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=NO2)CC1	REAL300018503927	0	48	0.0	-49.19	364.88	9.90	-39.29
CC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1C	REAL300018503928	0	51	0.0	-31.81	359.25	11.62	-20.19
CC(C)(C)C1=CC=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503929	0	54	0.0	-31.78	364.35	11.55	-20.23
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C2CCCCCN12	REAL300018503930	0	52	0.0	-49.90	373.36	10.13	-39.77
COC1=CC=C2SC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CC2=C1	REAL300018503931	0	49	0.0	-39.67	380.85	10.56	-29.11
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC(C2=CC=CC=C2)=NO1	REAL300018503932	0	48	0.0	-39.11	368.44	10.85	-28.26
CCN1CCC2=CC(C[NH2+]C(CC(=O)[O-])CC3CCCC3)=CC=C21	REAL300018503933	0	54	0.0	-34.17	374.89	9.75	-24.42
CC1(C)CC2(CO1)CCC([NH2+]C(CC(=O)[O-])CC1CCCC1)CC2	REAL300018503934	0	59	0.0	-51.70	404.22	10.04	-41.66
CSC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1Cl	REAL300018503935	0	46	0.0	-43.07	368.70	11.16	-31.91
CC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1C1CC1	REAL300018503936	0	52	0.0	-33.40	369.47	12.22	-21.18
COC1=CC=CC2=C1CCCC([NH2+]C(CC(=O)[O-])CC1CCCC1)C2	REAL300018503937	0	56	0.0	-38.16	385.11	11.01	-27.15
CCOC1=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=N1	REAL300018503938	0	48	0.0	-43.05	362.42	7.33	-35.72
CC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1C1CC1	REAL300018503939	0	52	0.0	-47.99	384.33	12.36	-35.63
CC1=NN(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C(C)=C2)C=C1	REAL300018503940	0	55	0.0	-37.84	405.49	12.21	-25.63
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300018503941	0	48	0.0	-35.74	373.23	11.49	-24.25
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503942	0	52	0.0	-36.13	400.06	12.20	-23.93
CC1=NN(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=C2)C=C1Cl	REAL300018503943	0	52	0.0	-37.03	399.34	11.88	-25.15
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=C(C2CCOCC2)O1	REAL300018503944	0	52	0.0	-39.19	385.76	6.15	-33.04
CC1OC2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=C2C1C	REAL300018503945	0	53	0.0	-35.22	375.86	10.72	-24.50
CC1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1OC(F)F	REAL300018503946	0	49	0.0	-34.84	372.81	10.02	-24.82
CC(C)C1=CC=C(O)C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503947	0	52	0.0	-33.33	370.66	8.92	-24.41
CC1=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)NN=C1C(F)(F)F	REAL300018503948	0	45	0.0	-37.35	340.72	7.51	-29.84
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC(C2CC2)=CS1	REAL300018503949	0	45	0.0	-46.12	353.13	8.96	-37.16
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN(CC2CC2)N=N1	REAL300018503950	0	48	0.0	-48.87	363.45	8.64	-40.23
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2CCOC2=C1	REAL300018503951	0	47	0.0	-41.70	349.33	9.53	-32.17
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC2=C(CCCC2)N1	REAL300018503952	0	49	0.0	-33.27	356.43	8.75	-24.52
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C2COCCC2=C1	REAL300018503953	0	50	0.0	-34.83	356.15	9.71	-25.12
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC=C1C1CCC1	REAL300018503954	0	52	0.0	-32.26	369.62	12.31	-19.95
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C2CCOCC2)=N1	REAL300018503955	0	56	0.0	-37.22	407.53	9.05	-28.17
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1	REAL300018503956	0	50	0.0	-39.12	366.90	9.47	-29.65
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(COCC2=CC=CC=C2)C1	REAL300018503957	0	56	0.0	-39.62	412.13	11.52	-28.10
CSC1=CC=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503958	0	46	0.0	-48.72	357.51	10.76	-37.96
CC(C)(C)N1N=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503959	0	51	0.0	-35.28	355.73	9.11	-26.17
O=C([O-])CC(CC1CCCC1)[NH2+]C1CCC2=CC(Cl)=CC=C2C1	REAL300018503960	0	49	0.0	-39.15	368.34	11.75	-27.40
CC(C)C1=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)N(C)N=C1	REAL300018503961	0	51	0.0	-33.94	359.18	8.96	-24.98
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(C2=CC=CC=C2Br)C1	REAL300018503962	0	49	0.0	-37.27	368.38	11.74	-25.53
CCC([NH2+]C(CC(=O)[O-])CC1CCCC1)C(C)CC1=CC=CC=C1	REAL300018503963	0	57	0.0	-35.58	386.63	12.32	-23.26
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(CC2CC2)S1	REAL300018503964	0	49	0.0	-33.27	378.67	11.93	-21.34
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OC2CC2)C=C1	REAL300018503965	0	50	0.0	-36.38	363.15	10.58	-25.80
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(OC(F)(F)F)C=C1F	REAL300018503966	0	46	0.0	-29.56	351.94	9.45	-20.11
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300018503967	0	48	0.0	-52.14	388.65	11.59	-40.55
CC1=NC=CN1C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1	REAL300018503968	0	55	0.0	-37.80	405.02	12.90	-24.90
CC1=C(C)N(C2=CC=C(C[NH2+]C(CC(=O)[O-])CC3CCCC3)C=C2)C=N1	REAL300018503969	0	55	0.0	-40.56	400.15	13.21	-27.35
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1	REAL300018503970	0	56	0.0	-48.31	412.25	13.77	-34.54
CC1=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)OC2=CC=C(F)C=C12	REAL300018503972	0	48	0.0	-51.54	372.01	10.96	-40.58
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503973	0	48	0.0	-45.25	371.22	11.83	-33.42
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503974	0	52	0.0	-36.93	384.10	10.79	-26.14
CC(C)(C)C1=CN=CC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=C1	REAL300018503975	0	53	0.0	-36.72	374.02	10.12	-26.60
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=C(Br)C=CC=C2S1	REAL300018503976	0	45	0.0	-33.95	360.79	11.73	-22.22
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NN(CC(F)(F)F)C=C1	REAL300018503977	0	45	0.0	-53.74	359.58	8.81	-44.93
CN1C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=NC2=C1CCCC2	REAL300018503978	0	52	0.0	-30.76	376.64	10.40	-20.36
CN1C=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C(F)(F)F)=N1	REAL300018503979	0	45	0.0	-37.72	348.23	8.74	-28.98
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=CC=CC=C2C=N1	REAL300018503980	0	47	0.0	-48.58	358.45	10.17	-38.41
COC1=NC(C[NH2+]C(CC(=O)[O-])CC2CCCC2)=CC=C1C	REAL300018503981	0	48	0.0	-50.08	364.60	7.12	-42.96
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC(C(F)F)=C1F	REAL300018503982	0	45	0.0	-30.63	336.77	10.50	-20.13
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=CC2=C1COCC2	REAL300018503983	0	50	0.0	-48.72	364.06	9.73	-38.99
CCOC1=CC=C(Cl)C=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503984	0	49	0.0	-32.84	376.55	10.69	-22.15
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1	REAL300018503985	0	49	0.0	-35.54	356.48	9.60	-25.94
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC2=C(CCCC2)O1	REAL300018503986	0	49	0.0	-48.10	361.57	10.57	-37.53
CCC(C)N1N=CC=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503987	0	51	0.0	-33.00	365.09	9.42	-23.58
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CN(C2CCCCC2)N=C1	REAL300018503988	0	55	0.0	-36.07	398.13	10.73	-25.34
COC1=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=CC=C1C(C)(C)C	REAL300018503989	0	58	0.0	-29.03	396.06	11.78	-17.25
CN1C=C(Br)N=C1C[NH2+]C(CC(=O)[O-])CC1CCCC1	REAL300018503990	0	42	0.0	-54.04	339.51	8.61	-45.43
COC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=N1	REAL300018503991	0	48	0.0	-33.82	351.99	7.21	-26.61
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=NC2=CC=CC=C2S1	REAL300018503992	0	44	0.0	-34.07	345.58	9.19	-24.88
COC1=CC=CC(C2CC([NH2+]C(CC(=O)[O-])CC3CCCC3)C2)=C1	REAL300018503993	0	53	0.0	-39.46	376.36	10.68	-28.78
CC1=NOC(C2CC([NH2+]C(CC(=O)[O-])CC3CCCC3)C2)=N1	REAL300018503994	0	47	0.0	-39.86	346.19	6.92	-32.94
O=C([O-])CC(CC1CCCC1)[NH2+]C1CC(C2CCOCC2)C1	REAL300018503995	0	53	0.0	-37.16	370.39	9.27	-27.89
CC1=CC(C)=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1Br	REAL300018503996	0	51	0.0	-36.92	381.28	11.78	-25.14
O=C([O-])CC(CC1CCCC1)[NH2+]CC=CC1=CC=C2OCOC2=C1	REAL300018503997	0	49	0.0	-38.50	362.19	9.65	-28.85
O=C([O-])CC(CC1CCCC1)[NH2+]CC1=CC=C(CC2CCC2)C=C1	REAL300018503998	0	55	0.0	-33.13	393.56	13.13	-20.00
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(CC(=O)[O-])CC2CCCC2)C=C1	REAL300018503999	0	52	0.0	-36.88	398.22	10.39	-26.49
COC1=CC=C(CC(C)[NH2+]C(CC(=O)[O-])CC2CCCC2)C(C)=C1	REAL300018504000	0	55	0.0	-52.19	397.88	10.79	-41.40
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018507854	0	42	0.0	-26.78	345.47	8.79	-17.99
CC1(C)CC([NH2+]C(CC2CCCCO2)C(=O)[O-])CC(C)(C)C1	REAL300018507855	0	55	0.0	-28.30	379.01	9.58	-18.72
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018507856	0	47	0.0	-37.96	364.24	9.79	-28.17
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507857	0	53	0.0	-35.97	394.88	9.85	-26.12
COC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C(Cl)=C1OC	REAL300018507858	0	48	0.0	-28.51	383.58	7.49	-21.02
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018507859	0	47	0.0	-32.38	376.25	10.34	-22.04
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018507860	0	43	0.0	-30.08	347.12	9.28	-20.80
CC(C)OC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507861	0	50	0.0	-27.53	378.10	9.15	-18.38
CCCCCCCOC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507862	0	62	0.0	-28.30	467.04	12.41	-15.89
CC(C[NH2+]C(CC1CCCCO1)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018507863	0	61	0.0	-28.28	442.28	12.70	-15.58
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018507864	0	44	0.0	-31.48	340.25	7.72	-23.76
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018507865	0	39	0.0	-42.69	328.93	7.52	-35.17
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018507866	0	53	0.0	-27.60	394.68	7.90	-19.70
CC(C)CC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507867	0	52	0.0	-27.15	390.57	10.98	-16.17
CC1=CC=C(C2=CC=CC(C[NH2+]C(CC3CCCCO3)C(=O)[O-])=C2)C=C1	REAL300018507868	0	53	0.0	-34.48	406.66	11.88	-22.60
COC1=CC=C(Br)C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507869	0	44	0.0	-27.69	355.95	7.66	-20.03
COC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018507870	0	46	0.0	-32.99	364.84	9.08	-23.91
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018507871	0	40	0.0	-27.54	341.70	9.27	-18.27
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507872	0	53	0.0	-29.36	404.29	12.35	-17.01
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018507873	0	44	0.0	-31.68	348.57	7.92	-23.76
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300018507874	0	50	0.0	-35.41	391.91	8.28	-27.13
CCOC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1OCC	REAL300018507875	0	54	0.0	-30.52	411.77	9.38	-21.14
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018507876	0	43	0.0	-34.20	361.21	9.75	-24.45
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018507877	0	40	0.0	-26.08	331.57	8.33	-17.75
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018507878	0	43	0.0	-35.20	348.92	7.44	-27.76
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018507879	0	45	0.0	-32.57	345.32	7.97	-24.60
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018507880	0	44	0.0	-30.26	354.23	8.06	-22.20
CS(=O)(=O)C1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507881	0	46	0.0	-35.54	368.89	5.78	-29.76
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507882	0	54	0.0	-34.48	417.10	10.78	-23.70
CC(CCOCC1=CC=CC=C1)[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507883	0	53	0.0	-28.98	394.72	9.55	-19.43
O=C([O-])C(CC1CCCCO1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018507884	0	47	0.0	-29.03	363.70	10.34	-18.69
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018507885	0	50	0.0	-29.13	399.16	12.20	-16.93
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018507886	0	50	0.0	-33.79	399.82	11.64	-22.15
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018507887	0	50	0.0	-27.29	408.60	11.25	-16.04
COC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C2=CC=CC=C12	REAL300018507888	0	50	0.0	-31.74	380.36	9.28	-22.46
CN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507889	0	46	0.0	-35.37	354.66	8.61	-26.76
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018507890	0	45	0.0	-34.54	346.93	7.64	-26.90
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CSC(Br)=C1	REAL300018507891	0	37	0.0	-31.61	322.69	7.48	-24.13
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018507892	0	53	0.0	-31.63	410.46	9.12	-22.51
COC1=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300018507893	0	58	0.0	-36.55	439.15	10.64	-25.91
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018507894	0	53	0.0	-33.33	412.54	9.21	-24.12
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018507895	0	51	0.0	-27.66	382.16	8.18	-19.48
CS(=O)(=O)NC1=CC=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507896	0	48	0.0	-35.63	382.91	5.00	-30.63
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018507897	0	44	0.0	-31.65	342.21	7.81	-23.84
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018507898	0	44	0.0	-33.92	340.25	7.74	-26.18
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018507899	0	43	0.0	-28.41	348.44	6.81	-21.60
CC1(C)CCC2=CC(C[NH2+]C(CC3CCCCO3)C(=O)[O-])=CC=C2O1	REAL300018507900	0	54	0.0	-32.91	401.67	9.62	-23.29
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507901	0	55	0.0	-26.68	374.71	11.03	-15.65
CN(C)C1=CC=CC=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507902	0	48	0.0	-28.37	362.27	7.79	-20.58
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018507903	0	49	0.0	-32.42	377.46	9.91	-22.51
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018507904	0	49	0.0	-35.78	378.30	9.37	-26.41
CN1CCN(C2=CC=C(C[NH2+]C(CC3CCCCO3)C(=O)[O-])C=C2)CC1	REAL300018507905	1	57	0.0	-27.72	417.44	6.97	-20.75
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507906	0	56	0.0	-33.12	415.25	5.33	-27.79
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018507907	0	49	0.0	-37.23	392.37	6.29	-30.94
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018507908	0	50	0.0	-31.70	368.02	6.10	-25.60
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018507909	0	55	0.0	-33.56	417.57	8.79	-24.77
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018507910	0	55	0.0	-26.35	415.62	9.29	-17.06
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018507911	0	54	0.0	-30.59	394.78	7.19	-23.40
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018507912	0	47	0.0	-35.42	376.28	9.07	-26.35
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507913	0	53	0.0	-27.75	424.24	10.95	-16.80
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018507914	0	47	0.0	-34.98	386.60	9.53	-25.45
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507915	0	53	0.0	-35.31	418.72	10.59	-24.72
CC(C)(C)N1C=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=N1	REAL300018507916	0	49	0.0	-31.19	370.99	8.09	-23.10
CC1=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300018507917	0	59	0.0	-30.17	454.07	11.36	-18.81
CN1CCN(C2=CC=CC(Cl)=C2C[NH2+]C(CC2CCCCO2)C(=O)[O-])CC1	REAL300018507918	1	57	0.0	-27.79	430.95	7.39	-20.40
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018507920	0	47	0.0	-32.43	380.35	8.99	-23.44
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018507922	0	44	0.0	-32.43	365.66	7.94	-24.49
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018507923	0	47	0.0	-36.46	395.62	11.08	-25.38
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300018507924	0	50	0.0	-38.38	379.26	5.94	-32.44
COC1=CC=CC(C2=NNC=C2C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507925	0	51	0.0	-35.46	395.92	6.91	-28.55
COC1=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=CC=C1OCC(F)(F)F	REAL300018507926	0	51	0.0	-34.42	408.40	8.85	-25.57
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018507927	0	50	0.0	-31.64	378.34	8.23	-23.41
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018507928	0	53	0.0	-32.37	414.34	9.77	-22.60
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018507929	0	53	0.0	-32.36	413.35	9.94	-22.42
CC(C)C1=NN(C)C=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507931	0	49	0.0	-32.46	376.25	7.43	-25.03
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300018507932	0	50	0.0	-37.05	407.75	10.43	-26.62
COCCOC1=CC=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507933	0	51	0.0	-32.38	393.22	7.76	-24.62
COC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1Cl	REAL300018507934	0	44	0.0	-31.95	353.76	8.12	-23.83
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC2=CC(Br)=CC=C2OC1	REAL300018507935	0	46	0.0	-29.67	376.75	9.42	-20.25
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018507936	0	46	0.0	-34.62	387.79	9.27	-25.35
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018507937	0	45	0.0	-26.73	369.58	7.27	-19.46
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300018507938	0	48	0.0	-27.56	373.15	7.43	-20.13
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507939	1	52	0.0	-23.07	387.83	9.80	-13.27
COC1=NC=C(Br)C=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507940	0	43	0.0	-28.46	355.95	5.09	-23.37
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018507941	0	39	0.0	-24.25	325.60	7.12	-17.13
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018507942	0	49	0.0	-34.24	384.73	5.11	-29.13
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018507943	0	45	0.0	-32.78	345.03	7.96	-24.82
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018507944	0	47	0.0	-33.73	380.24	9.03	-24.70
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018507945	0	46	0.0	-30.28	353.94	7.01	-23.27
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018507946	0	49	0.0	-28.60	372.65	7.78	-20.82
O=C([O-])C(CC1CCCCO1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018507947	0	47	0.0	-29.93	365.26	10.38	-19.55
O=C([O-])C(CC1CCCCO1)[NH2+]C1CC(C2=CC=CC(Br)=C2)C1	REAL300018507948	0	47	0.0	-29.88	369.83	10.49	-19.39
O=C([O-])C(CC1CCCCO1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018507949	0	47	0.0	-28.60	361.15	10.34	-18.26
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018507950	0	48	0.0	-36.87	380.20	9.08	-27.79
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018507951	0	51	0.0	-31.49	386.38	6.65	-24.84
CCCN1C2=CC=CC=C2N=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507952	1	52	0.0	-22.63	394.09	10.34	-12.29
CCCOC1=CC=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507953	0	50	0.0	-29.82	381.09	9.29	-20.53
C#CCCOC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507954	0	49	0.0	-28.98	386.83	9.80	-19.18
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018507955	0	47	0.0	-31.93	377.10	10.36	-21.57
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018507956	0	47	0.0	-33.74	387.75	10.57	-23.17
CC1=C2C=C(C[NH2+]C(CC3CCCCO3)C(=O)[O-])C=NC2=NN1	REAL300018507957	0	45	0.0	-34.22	351.30	6.79	-27.43
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018507958	0	54	0.0	-30.25	403.61	9.93	-20.32
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC=C1N1C=NC=N1	REAL300018507959	0	46	0.0	-29.59	351.18	10.50	-19.09
CN1C=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300018507960	0	49	0.0	-38.93	384.49	7.13	-31.80
CN1C=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300018507961	0	49	0.0	-36.52	371.23	6.86	-29.66
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN=C2C=CC=CN12	REAL300018507962	0	43	0.0	-32.28	335.73	8.15	-24.13
CN(C)C1=NC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])S1	REAL300018507963	0	44	0.0	-33.42	351.91	6.83	-26.59
CC(C)OC1=CC=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507964	0	50	0.0	-30.67	379.83	9.23	-21.44
CN1C=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300018507965	0	53	0.0	-40.69	422.00	9.66	-31.03
CC1=CC=C(C2=NC(C[NH2+]C(CC3CCCCO3)C(=O)[O-])=CS2)C=C1	REAL300018507966	1	49	0.0	-28.22	395.99	9.21	-19.01
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018507969	0	54	0.0	-31.04	424.30	11.79	-19.25
CC(CCC1=CC=CC(F)=C1)[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507971	0	49	0.0	-30.41	371.49	10.43	-19.98
CC1=CC=CC(CCC(C)[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507972	0	52	0.0	-28.76	387.56	11.12	-17.64
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507973	0	52	0.0	-29.05	405.21	11.48	-17.57
CC1=CC=C(CCC(C)[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507974	0	52	0.0	-34.29	384.38	10.48	-23.81
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1	REAL300018507975	0	55	0.0	-29.69	417.64	9.10	-20.59
CC(C1=CC=CC=C1)N1CCC([NH2+]C(CC2CCCCO2)C(=O)[O-])C1	REAL300018507976	0	55	0.0	-28.91	391.70	8.66	-20.25
CN1C=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018507977	0	52	0.0	-38.59	404.56	9.28	-29.31
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(CC2CC2)CC1	REAL300018507978	1	52	0.0	-28.25	369.89	7.35	-20.90
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507980	0	63	0.0	-36.90	466.50	12.05	-24.85
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CSC(C2=CSC=C2)=N1	REAL300018507982	1	43	0.0	-24.32	365.20	8.08	-16.24
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018507983	0	47	0.0	-37.44	385.30	10.64	-26.80
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018507984	0	52	0.0	-33.76	395.22	8.48	-25.28
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018507985	0	44	0.0	-30.36	344.28	6.68	-23.68
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300018507986	0	54	0.0	-27.77	400.41	9.93	-17.84
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018507987	0	43	0.0	-25.55	353.01	9.36	-16.19
CC(C)(C)C1=NC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])S1	REAL300018507988	0	48	0.0	-32.30	377.88	7.58	-24.72
CC(C)CN1CCC([NH2+]C(CC2CCCCO2)C(=O)[O-])CC1	REAL300018507989	1	54	0.0	-27.55	378.13	7.41	-20.14
CC1=CC=C(C2=CC=C(C[NH2+]C(CC3CCCCO3)C(=O)[O-])S2)C=C1	REAL300018507990	0	50	0.0	-33.68	398.13	11.17	-22.51
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300018507991	0	46	0.0	-35.04	377.16	8.09	-26.95
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507992	0	44	0.0	-27.48	371.13	8.15	-19.33
C#CCOC1=CC=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1	REAL300018507993	0	46	0.0	-30.98	365.33	9.03	-21.95
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(CC1CCCCO1)C(=O)[O-]	REAL300018507994	0	52	0.0	-37.34	386.45	10.90	-26.44
O=C([O-])C(CC1CCCCO1)[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018507995	0	51	0.0	-33.95	410.41	10.71	-23.24
CCOC1=C(OC)C=C(C[NH2+]C(CC2CCCCO2)C(=O)[O-])C=C1OC	REAL300018507996	0	55	0.0	-31.77	421.99	8.32	-23.45
O=C([O-])C(CC1CCCCO1)[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018507997	0	54	0.0	-35.10	395.82	6.51	-28.59
CC(C)(C)N1CCC([NH2+]C(CC2CCCCO2)C(=O)[O-])CC1	REAL300018507998	1	54	0.0	-33.94	370.20	6.18	-27.76
COCCCOC1=CC=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=C1	REAL300018507999	0	54	0.0	-32.75	415.84	8.44	-24.31
COC1=CC(C[NH2+]C(CC2CCCCO2)C(=O)[O-])=CC=C1SC	REAL300018508000	0	48	0.0	-31.62	378.23	8.69	-22.93
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300018525244	1	45	0.0	-61.22	368.41	7.30	-53.92
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2CC[NH+](C)CC2)C=C1	REAL300018525256	0	51	0.0	-75.10	404.10	8.35	-66.75
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1	REAL300018525260	0	49	0.0	-72.77	405.13	10.77	-62.00
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC2=CC=CC=C2Cl)CC1	REAL300018525261	0	49	0.0	-62.34	402.11	10.76	-51.58
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC2=CC=CC=N2)CC1	REAL300018525262	0	48	0.0	-65.06	384.02	8.42	-56.64
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300018525267	0	53	0.0	-71.38	423.78	10.23	-61.15
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300018525275	0	49	0.0	-71.73	400.23	8.93	-62.80
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300018525322	0	49	0.0	-66.47	389.05	10.31	-56.16
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300018525322	1	49	0.0	-66.56	388.84	10.32	-56.24
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC2CC2)CC1	REAL300018525323	0	46	0.0	-65.66	360.90	8.88	-56.78
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC(C)C)CC1	REAL300018525332	0	48	0.0	-64.82	368.19	8.76	-56.06
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC2=CC=NC=C2)CC1	REAL300018525339	0	48	0.0	-70.58	383.46	8.50	-62.08
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](C(C)(C)C)CC1	REAL300018525340	0	48	0.0	-61.78	358.71	8.08	-53.70
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](CCN2CCOCC2)CC1	REAL300018525346	0	55	0.0	-70.20	417.24	5.74	-64.46
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[NH+](C2CCCCC2C)CC1	REAL300018525366	0	55	0.0	-62.73	398.25	10.17	-52.56
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)(C)[NH+]1CCOCC1	REAL300018525401	1	46	0.0	-63.99	347.22	6.05	-57.94
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1	REAL300018525500	0	52	0.0	-68.95	382.30	10.82	-58.13
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1	REAL300018525500	1	52	0.0	-68.93	401.25	10.98	-57.95
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[N@@H+]2CCCC2C1	REAL300018525532	0	43	0.0	-64.47	331.18	7.93	-56.54
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CC[N@H+]2CCCC2C1	REAL300018525532	1	43	0.0	-64.62	331.51	7.97	-56.65
COC1=C(F)C=C(C(=O)[O-])C=C1NC1C[N@H+](CC2=CC=CC=C2)CC1C	REAL300018525536	0	49	0.0	-63.69	393.32	10.22	-53.47
COC1=C(F)C=C(C(=O)[O-])C=C1NC1C[N@@H+](CC2=CC=CC=C2)CC1C	REAL300018525536	1	49	0.0	-61.80	393.72	10.27	-51.53
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)(C)C[N@H+](C)CC1=CC=CC=C1	REAL300018525617	0	54	0.0	-68.54	413.20	11.24	-57.30
COC1=C(F)C=C(C(=O)[O-])C=C1NCC(C)(C)C[N@@H+](C)CC1=CC=CC=C1	REAL300018525617	1	54	0.0	-68.58	413.17	11.25	-57.33
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CN=C(N2CC[NH+](C)CC2)N=C1	REAL300018525622	1	49	0.0	-73.20	398.25	7.92	-65.28
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300018525690	0	48	0.0	-73.94	392.83	10.01	-63.93
COC1=C(F)C=C(C(=O)[O-])C=C1NCC1=CC2=C[NH+]=CC=C2N1	REAL300018525761	0	37	0.0	-66.91	322.04	5.90	-61.01
COC1=CC=CC(C[NH+]2CCC(NC3=CC(C(=O)[O-])=CC(F)=C3OC)CC2)=C1	REAL300018525770	0	53	0.0	-71.19	417.91	9.55	-61.64
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC[N@@H+](C(C)(C)C)C1	REAL300018525782	0	48	0.0	-61.66	358.54	8.05	-53.61
COC1=C(F)C=C(C(=O)[O-])C=C1NC1CCC[N@H+](C(C)(C)C)C1	REAL300018525782	1	48	0.0	-64.31	354.64	8.49	-55.82
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)O1	REAL300018525814	0	44	0.0	-70.41	371.73	11.97	-58.44
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CC2CC3(CC3(F)F)C2)C=C1	REAL300018525815	0	51	0.0	-75.50	425.49	12.82	-62.68
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3CC4(CC4(F)F)C3)O2)C=C1	REAL300018525816	0	44	0.0	-89.48	375.50	11.31	-78.17
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3CC4(CC4(F)F)C3)O2)C=C1	REAL300018525817	0	44	0.0	-89.48	375.50	11.31	-78.17
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1CC2(CC2(F)F)C1	REAL300018525818	0	44	0.0	-60.97	370.35	10.69	-50.28
CC1=CC(C[NH2+]CC2CC3(CC3(F)F)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018525819	0	47	0.0	-88.74	390.72	11.28	-77.46
O=C([O-])CCCN1CCC([NH2+]CC2CC3(CC3(F)F)C2)CC1	REAL300018525820	1	48	0.0	-77.96	370.19	7.97	-69.99
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1CC2(CC2(F)F)C1	REAL300018525821	0	46	0.0	-79.89	379.30	9.14	-70.75
O=C([O-])COC1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)C=C1	REAL300018525822	0	41	0.0	-86.01	346.00	9.69	-76.32
O=C([O-])COC1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)C=C1	REAL300018525823	0	41	0.0	-86.01	346.00	9.69	-76.32
CC(OC1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)C=C1)C(=O)[O-]	REAL300018525824	0	44	0.0	-87.21	363.88	10.29	-76.92
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2CC3(CC3(F)F)C2)C=C1	REAL300018525825	0	44	0.0	-82.45	374.15	9.45	-73.00
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2CC3(CC3(F)F)C2)C1	REAL300018525826	0	43	0.0	-67.95	338.07	9.82	-58.13
O=C([O-])C(F)(F)C1CCC([NH2+]CC2CC3(CC3(F)F)C2)C1	REAL300018525827	0	40	0.0	-70.92	326.39	9.13	-61.79
O=C([O-])C1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)C=C1Cl	REAL300018525828	0	37	0.0	-86.74	328.07	9.84	-76.90
O=C([O-])C1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)C(C(F)(F)F)=C1	REAL300018525829	0	40	0.0	-83.06	343.98	10.50	-72.56
O=C([O-])C1=CC=C(C[NH2+]CC2CC3(CC3(F)F)C2)C=C1Br	REAL300018525830	0	37	0.0	-85.42	331.81	9.94	-75.48
O=C([O-])CCCC1CCCC([NH2+]CC2CC3(CC3(F)F)C2)C1	REAL300018525831	0	49	0.0	-77.98	375.68	10.99	-66.99
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1CC2(CC2(F)F)C1	REAL300018525832	0	48	0.0	-78.41	366.86	10.34	-68.07
O=C([O-])CN1C=C(C[NH2+]CC2CC3(CC3(F)F)C2)C(C2=CC=CC=C2)=N1	REAL300018525833	0	47	0.0	-76.78	394.75	11.06	-65.72
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2CC3(CC3(F)F)C2)C1	REAL300018525834	0	44	0.0	-56.32	357.18	10.96	-45.36
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3CC4(CC4(F)F)C3)=C2)S1	REAL300018525835	0	37	0.0	-87.78	343.80	10.15	-77.63
O=C([O-])C1=C2N=CC(C[NH2+]CC3CC4(CC4(F)F)C3)=CN2N=C1	REAL300018525836	0	39	0.0	-106.09	338.37	8.40	-97.69
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC1CC2(CC2(F)F)C1)C(=O)[O-]	REAL300018525837	0	44	0.0	-55.71	379.68	10.86	-44.85
O=C([O-])C1=CC(F)=C(C[NH2+]CC2CC3(CC3(F)F)C2)C(F)=C1	REAL300018525838	0	37	0.0	-71.03	326.13	9.50	-61.53
O=C([O-])C1=CN2C(C[NH2+]CC3CC4(CC4(F)F)C3)=CN=C2C=C1	REAL300018525839	0	40	0.0	-70.63	342.41	9.88	-60.75
O=C([O-])C1=CN=C2C(C[NH2+]CC3CC4(CC4(F)F)C3)=CC=CN12	REAL300018525840	0	40	0.0	-87.76	341.24	9.17	-78.59
O=C([O-])C1=CC=CC(C[NH2+]CC2CC3(CC3(F)F)C2)=C1Br	REAL300018525841	0	37	0.0	-72.04	326.83	9.87	-62.17
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC3CC4(CC4(F)F)C3)=N2)C1	REAL300018525842	0	44	0.0	-75.46	362.09	9.04	-66.42
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC2CC3(CC3(F)F)C2)C1	REAL300018525843	0	44	0.0	-86.35	362.59	9.35	-77.00
O=C([O-])C1=CC(C[NH2+]CC2CC3(CC3(F)F)C2)=CC(C(F)(F)F)=C1	REAL300018525844	0	40	0.0	-78.33	354.27	10.43	-67.90
O=C([O-])C1=CC(Br)=CC(C[NH2+]CC2CC3(CC3(F)F)C2)=C1	REAL300018525845	0	37	0.0	-76.19	336.86	10.05	-66.14
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1	REAL300018525846	0	39	0.0	-89.51	344.20	9.60	-79.91
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525847	0	46	0.0	-72.14	400.35	12.11	-60.03
CC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525848	1	39	0.0	-77.36	345.25	8.57	-68.79
O=C([O-])C1=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=CO1	REAL300018525849	0	36	0.0	-49.64	321.92	7.86	-41.78
O=C([O-])CN1CCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300018525850	0	44	0.0	-73.67	356.62	6.84	-66.83
O=C([O-])C1=COC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525851	1	36	0.0	-77.83	327.26	7.84	-69.99
O=C([O-])C1CCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300018525852	0	42	0.0	-67.40	336.94	9.20	-58.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525854	1	36	0.0	-79.61	327.01	8.09	-71.52
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525855	1	36	0.0	-79.61	327.01	8.09	-71.52
CC(C)(CC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C(=O)[O-]	REAL300018525856	0	41	0.0	-70.38	339.15	8.38	-62.00
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)O2)C=C1	REAL300018525857	0	46	0.0	-91.63	404.14	11.44	-80.19
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)O2)C=C1	REAL300018525858	0	46	0.0	-91.63	404.14	11.44	-80.19
O=C([O-])C1CCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300018525859	0	42	0.0	-67.40	336.94	9.20	-58.20
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525860	0	39	0.0	-79.62	344.20	9.59	-70.03
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525861	0	46	0.0	-63.46	398.98	10.83	-52.63
O=C([O-])C1=NNC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525862	0	36	0.0	-87.11	325.60	6.03	-81.08
CC1=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018525863	0	49	0.0	-91.15	419.36	11.42	-79.73
O=C([O-])CCC[NH+]1CCC(NCC2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300018525864	0	50	0.0	-58.28	400.06	9.16	-49.12
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525865	0	48	0.0	-80.93	407.56	9.30	-71.63
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1	REAL300018525866	0	43	0.0	-86.97	375.26	9.87	-77.10
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1	REAL300018525867	0	43	0.0	-86.97	375.26	9.87	-77.10
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=CS1	REAL300018525868	0	36	0.0	-79.81	334.74	8.65	-71.16
O=C([O-])CC1CCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC1	REAL300018525869	0	45	0.0	-71.89	354.01	9.80	-62.09
O=C([O-])C1=NOC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525870	1	35	0.0	-84.99	321.42	7.14	-77.85
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=N1	REAL300018525871	1	38	0.0	-76.88	340.04	7.77	-69.11
O=C([O-])C1=NOC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525872	1	35	0.0	-84.99	321.42	7.14	-77.85
CC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1CC1C(=O)[O-]	REAL300018525873	0	39	0.0	-68.61	332.52	8.65	-59.96
O=C([O-])CC1CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525874	0	39	0.0	-67.59	331.08	8.56	-59.03
CC(OC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1)C(=O)[O-]	REAL300018525875	0	46	0.0	-87.89	393.14	10.47	-77.42
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1	REAL300018525876	0	46	0.0	-84.67	402.78	9.59	-75.08
CC1CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CCC1C(=O)[O-]	REAL300018525877	0	45	0.0	-77.10	361.90	9.50	-67.60
O=C([O-])C=CC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525878	1	40	0.0	-90.62	361.50	7.69	-82.93
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525879	0	45	0.0	-73.08	373.16	9.77	-63.31
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525880	0	42	0.0	-72.26	354.63	9.23	-63.03
CC1=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C(C(=O)[O-])O1	REAL300018525881	0	39	0.0	-83.08	346.05	8.75	-74.33
CC1=C(C(=O)[O-])OC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525882	1	39	0.0	-79.89	344.98	8.68	-71.21
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C1Cl	REAL300018525883	0	39	0.0	-88.73	356.71	9.98	-78.75
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525884	0	47	0.0	-66.68	362.86	9.79	-56.89
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525885	0	45	0.0	-75.12	366.02	9.69	-65.43
CC1(C(=O)[O-])CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525886	0	39	0.0	-60.07	328.79	8.29	-51.78
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(C(F)(F)F)=C1	REAL300018525887	0	42	0.0	-83.05	372.61	10.66	-72.39
CN1C=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(C(=O)[O-])=N1	REAL300018525888	0	39	0.0	-58.40	344.14	7.43	-50.97
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525889	1	42	0.0	-77.74	366.74	9.34	-68.40
O=C([O-])CCCC1CCCC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525890	0	51	0.0	-79.20	404.30	11.14	-68.06
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525891	0	50	0.0	-78.49	396.68	10.55	-67.94
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)N=C1	REAL300018525892	1	38	0.0	-80.46	339.34	7.76	-72.70
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525893	0	46	0.0	-56.60	385.81	11.11	-45.49
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525894	0	39	0.0	-91.12	346.06	7.25	-83.87
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)O1	REAL300018525895	1	42	0.0	-79.16	369.00	9.48	-69.68
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=CC=C1F	REAL300018525896	0	39	0.0	-88.04	348.75	9.62	-78.42
O=C([O-])CCC1CC([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525897	0	42	0.0	-74.18	353.13	9.45	-64.73
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)=C2)S1	REAL300018525898	0	39	0.0	-90.02	372.44	10.28	-79.74
O=C([O-])C1=C2N=CC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)=CN2N=C1	REAL300018525899	0	41	0.0	-108.44	367.00	8.54	-99.90
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=N1	REAL300018525900	0	38	0.0	-92.37	339.91	7.80	-84.57
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(F)=C1	REAL300018525901	1	39	0.0	-72.55	354.77	9.64	-62.91
O=C([O-])C1=CN2C(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)=CN=C2C=C1	REAL300018525902	0	42	0.0	-73.20	371.05	10.01	-63.19
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1=CC=C(C2=CSC=C2)N=C1	REAL300018525903	0	41	0.0	-92.20	355.13	8.42	-83.78
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525904	0	42	0.0	-76.18	347.26	9.27	-66.91
O=C([O-])C1=CN=C2C(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)=CC=CN12	REAL300018525905	0	42	0.0	-90.23	369.88	9.30	-80.93
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C1	REAL300018525907	0	46	0.0	-90.77	392.06	9.50	-81.27
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=CC(C(F)(F)F)=C1	REAL300018525908	0	42	0.0	-78.97	383.25	10.59	-68.38
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)=C1	REAL300018525909	0	40	0.0	-76.26	351.79	7.00	-69.26
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=C(F)C(Cl)=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018525910	0	47	0.0	-73.90	395.06	7.90	-66.00
CSC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525911	0	51	0.0	-59.27	391.62	9.69	-49.58
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)CC1(C(=O)[O-])C2	REAL300018525912	0	46	0.0	-64.26	372.08	7.82	-56.44
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)CC1=CC=CC=C1	REAL300018525913	0	50	0.0	-66.83	376.28	9.53	-57.30
COC1=CC=C(OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)C=C2)C=C1	REAL300018525914	0	56	0.0	-71.19	437.79	9.64	-61.55
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C2CCCCC2)=N1	REAL300018525915	0	57	0.0	-70.13	426.41	9.04	-61.09
CC1(C)OC2(C[NH2+]CC3=CN(CC4=CC=CN=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018525916	0	49	0.0	-75.37	392.56	6.07	-69.30
CCC1CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300018525917	0	53	0.0	-65.22	381.08	9.13	-56.09
CC(C)C1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018525918	0	46	0.0	-64.82	367.70	6.80	-58.02
CC1CC(C)(C)CCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525919	0	53	0.0	-61.15	371.14	8.47	-52.68
CC1(C)OC2(C[NH2+]CC3=CC=C(OCC(F)(F)F)C(F)=C3)CC1(C(=O)[O-])C2	REAL300018525920	0	48	0.0	-77.89	396.72	8.26	-69.63
CC1(C)OC2(C[NH2+]CC=CC3=CC=C(F)C=C3F)CC1(C(=O)[O-])C2	REAL300018525921	0	45	0.0	-71.68	362.53	8.90	-62.78
CC1(C)OC2(C[NH2+]C3CCC4=CC=CC=C4C3)CC1(C(=O)[O-])C2	REAL300018525922	0	48	0.0	-67.47	358.52	9.11	-58.36
CCCCCC(CCCCC)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525923	0	61	0.0	-61.02	437.87	11.08	-49.94
COC1=CC=C2CCC([NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)CC2=C1	REAL300018525924	0	52	0.0	-69.53	388.08	8.41	-61.12
CC1(C)OC2(C[NH2+]C(CCC3=CC=CC=C3)CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300018525925	0	60	0.0	-68.47	453.98	13.22	-55.25
CCC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525926	0	47	0.0	-59.29	358.73	8.52	-50.77
CCC(CC1=CC=C(C)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525927	0	53	0.0	-61.21	393.84	10.07	-51.14
CCCC(CCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525928	0	56	0.0	-65.07	416.08	10.98	-54.09
CC1(C)OC2(C[NH2+]CC3=C(Br)C=CS3)CC1(C(=O)[O-])C2	REAL300018525929	0	38	0.0	-61.83	329.24	7.13	-54.70
CC1(C)OC2(C[NH2+]CC3=CC(Br)=CC4=C3OCC4)CC1(C(=O)[O-])C2	REAL300018525930	0	46	0.0	-64.17	376.64	7.93	-56.24
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525931	0	53	0.0	-70.87	402.59	8.28	-62.59
CC(CCC1=CC=C(O)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525932	0	51	0.0	-67.59	387.55	6.77	-60.82
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018525933	0	55	0.0	-67.96	413.14	8.03	-59.93
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525934	0	54	0.0	-69.19	415.78	9.20	-59.99
COC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018525935	0	54	0.0	-67.33	406.03	8.92	-58.41
CC(CCC1=CC=CO1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525936	0	47	0.0	-65.76	357.28	7.74	-58.02
CC(CC1=CC=C(F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525937	0	47	0.0	-66.79	360.77	8.90	-57.89
CC(CCN1C=CC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525938	0	47	0.0	-68.26	357.52	6.81	-61.45
CC(CC1=CC=C(Cl)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525939	0	47	0.0	-65.66	371.09	9.36	-56.30
CC(CCC1=CC=C(F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525940	0	50	0.0	-68.52	382.94	9.69	-58.83
CC=CCOC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018525941	0	61	0.0	-67.26	462.49	11.29	-55.97
CC(CC1CCOCC1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525942	0	51	0.0	-64.95	366.51	6.41	-58.54
CC(CCC1CCCCC1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525943	0	56	0.0	-61.41	397.31	9.79	-51.62
CC(CCC1=CC=CC=C1F)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525944	0	50	0.0	-63.21	382.09	9.65	-53.56
CC1(C)OC2(C[NH2+]C3CCCC3CC3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300018525945	0	54	0.0	-65.54	396.15	10.98	-54.56
CC1=CC=C(C2CCCC2[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018525946	0	54	0.0	-63.08	400.66	10.50	-52.58
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525947	0	50	0.0	-68.45	393.11	9.83	-58.62
CC(C)C1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018525948	0	53	0.0	-66.52	401.30	10.20	-56.32
CC1(C)OC2(C[NH2+]C3CCC(C(F)(F)F)CC3)CC1(C(=O)[O-])C2	REAL300018525949	0	47	0.0	-67.47	349.39	8.02	-59.45
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CN(CC2=CC=CC=C2)C1	REAL300018525950	0	59	0.0	-63.98	432.42	8.62	-55.36
CC1=CN2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)N=C2C=C1	REAL300018525951	0	47	0.0	-66.65	367.76	8.66	-57.99
CC1(C)OC2(C[NH2+]CC3=CN=C(C4=CC=C(Cl)C=C4)S3)CC1(C(=O)[O-])C2	REAL300018525952	0	47	0.0	-70.70	401.32	9.04	-61.66
CC1(C)OC2(C[NH2+]CC3=C(F)C=CC=C3OC(F)(F)F)CC1(C(=O)[O-])C2	REAL300018525953	0	45	0.0	-61.08	369.55	7.38	-53.70
CC1(C)OC2(C[NH2+]CC3=CC=C4OC=CC4=C3)CC1(C(=O)[O-])C2	REAL300018525954	0	44	0.0	-71.55	346.95	7.83	-63.72
CN(C)CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018525955	0	48	0.0	-65.56	381.43	4.20	-61.36
COCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=NO1	REAL300018525956	1	44	0.0	-68.41	350.15	4.71	-63.70
CC1(C)OC2(C[NH2+]CCC3=CC=C(Cl)C=C3)CC1(C(=O)[O-])C2	REAL300018525957	0	44	0.0	-70.25	357.81	8.79	-61.46
CC(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)N=N1	REAL300018525958	0	46	0.0	-70.29	356.61	5.38	-64.91
CC1=CC=CC=C1N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)N=N1	REAL300018525960	0	50	0.0	-72.07	388.38	8.06	-64.01
CN(C)C1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525961	0	48	0.0	-65.23	369.75	6.59	-58.64
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1SC	REAL300018525962	0	49	0.0	-59.32	381.41	7.69	-51.63
COCCOCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018525963	0	55	0.0	-69.80	430.11	7.46	-62.34
CN(C)C1=CC(Cl)=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525964	0	49	0.0	-59.38	403.85	8.39	-50.99
CC1(C)OC2(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)CC1(C(=O)[O-])C2	REAL300018525966	0	54	0.0	-65.74	403.11	10.69	-55.05
COC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525967	0	45	0.0	-64.48	354.11	6.93	-57.55
CC1(C2=CC=CC=C2)CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300018525968	0	51	0.0	-64.50	375.29	9.86	-54.64
CC1(C)OC2(C[NH2+]CC3=CN(CC(F)F)N=C3)CC1(C(=O)[O-])C2	REAL300018525969	0	44	0.0	-74.87	355.76	6.50	-68.37
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525970	0	51	0.0	-66.08	393.99	8.39	-57.69
CC1(C)OC2(C[NH2+]CC3=CC=C(C4CCC4)C=C3)CC1(C(=O)[O-])C2	REAL300018525971	0	51	0.0	-65.72	385.32	10.09	-55.63
CC1(C)OC2(C[NH2+]CC3=C(Cl)C=CC=C3N3CCOCC3)CC1(C(=O)[O-])C2	REAL300018525972	0	54	0.0	-59.70	419.97	7.42	-52.28
CC1CN(C2=CC=CC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CCO1	REAL300018525973	0	57	0.0	-63.90	424.31	7.88	-56.02
CC1(C)OC2(C[NH2+]C3CCC(CS(C)(=O)=O)CC3)CC1(C(=O)[O-])C2	REAL300018525974	0	53	0.0	-72.14	390.90	5.36	-66.78
COCC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018525975	0	51	0.0	-62.85	365.79	6.80	-56.05
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)N2C(C3CC3)=CSC2=N1	REAL300018525976	0	51	0.0	-70.53	400.60	9.53	-61.00
CC1(C)OC2(C[NH2+]CC3=CC=C4CCCC4=N3)CC1(C(=O)[O-])C2	REAL300018525977	0	47	0.0	-64.99	360.06	7.54	-57.45
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525978	0	54	0.0	-60.68	408.85	11.33	-49.35
CC1(C)OC2(C[NH2+]CC3=CC=NN3C3CCCC3)CC1(C(=O)[O-])C2	REAL300018525979	0	51	0.0	-72.42	385.72	8.01	-64.41
CC1(C)OC2(C[NH2+]CC3=CC=C(C4CC4)C=C3)CC1(C(=O)[O-])C2	REAL300018525980	0	48	0.0	-66.27	368.78	9.60	-56.67
CC1(C)OC2(C[NH2+]C3CCN(C4CC4)CC3)CC1(C(=O)[O-])C2	REAL300018525981	0	50	0.0	-63.75	361.30	5.76	-57.99
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525982	0	51	0.0	-76.72	404.45	9.37	-67.35
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1C(F)(F)F	REAL300018525983	0	47	0.0	-73.35	373.98	9.01	-64.34
CC1(C)OC2(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300018525984	0	47	0.0	-75.40	369.89	7.14	-68.26
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1O	REAL300018525985	0	48	0.0	-65.80	370.35	6.26	-59.54
CC1(C)OC2(C[NH2+]CC3=CC=C(OC4=CC=C(F)C=C4)N=C3)CC1(C(=O)[O-])C2	REAL300018525986	0	51	0.0	-74.70	412.66	7.89	-66.81
CCCCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525987	0	54	0.0	-61.18	412.50	9.38	-51.80
CC1(C)OC2(C[NH2+]CC3=CC=C4OCCOC4=C3)CC1(C(=O)[O-])C2	REAL300018525988	0	47	0.0	-71.02	364.07	6.66	-64.36
CC1(C)OC2(C[NH2+]CC3=CC=CC(Br)=C3)CC1(C(=O)[O-])C2	REAL300018525989	0	41	0.0	-69.15	340.86	8.11	-61.04
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018525990	0	49	0.0	-72.68	378.31	6.69	-65.99
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3C(F)(F)F)CC1(C(=O)[O-])C2	REAL300018525991	0	44	0.0	-65.11	348.11	8.57	-56.54
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018525992	0	52	0.0	-72.44	400.17	7.62	-64.82
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018525993	0	47	0.0	-65.67	362.45	8.94	-56.73
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)CC1(C(=O)[O-])C2	REAL300018525994	0	48	0.0	-70.28	386.22	9.45	-60.83
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1C	REAL300018525995	0	47	0.0	-65.43	358.66	8.74	-56.69
CC1(C)OC2(C[NH2+]CC3=CC(Br)=CS3)CC1(C(=O)[O-])C2	REAL300018525996	0	38	0.0	-67.52	331.26	7.23	-60.29
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)CC1(C(=O)[O-])C2	REAL300018525997	0	47	0.0	-67.76	390.82	8.35	-59.41
CC1=NN(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018525998	0	44	0.0	-66.21	357.71	6.14	-60.07
CC1(C)OC2(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)CC1(C(=O)[O-])C2	REAL300018525999	0	48	0.0	-75.18	377.92	8.70	-66.48
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526000	0	48	0.0	-67.25	370.92	7.72	-59.53
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1F	REAL300018526582	0	44	0.0	-70.07	346.29	8.21	-61.86
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])CC1(C(=O)[O-])C2	REAL300018526584	0	43	0.0	-67.64	356.10	8.58	-59.06
CC1(C)OC2(C[NH2+]C3CC(C)(C)CC(C)(C)C3)CC1(C(=O)[O-])C2	REAL300018526585	0	56	0.0	-61.91	389.60	8.81	-53.10
CC1(C)OC2(C[NH2+]C3CCC4=CC(Br)=CC=C4C3)CC1(C(=O)[O-])C2	REAL300018526586	0	48	0.0	-70.70	379.83	9.74	-60.96
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526587	0	54	0.0	-66.55	408.43	9.68	-56.87
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(Cl)=C1OC	REAL300018526588	0	49	0.0	-68.81	394.21	7.27	-61.54
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)CC1(C(=O)[O-])C2	REAL300018526589	0	48	0.0	-69.69	386.93	10.12	-59.57
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CC=C4S3)CC1(C(=O)[O-])C2	REAL300018526590	0	44	0.0	-67.71	356.95	9.04	-58.67
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526591	0	51	0.0	-68.61	388.85	8.35	-60.26
CCCCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526592	0	63	0.0	-68.24	478.42	11.65	-56.59
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)CC1=CC=C(C(C)(C)C)C=C1	REAL300018526593	0	62	0.0	-66.35	452.54	11.86	-54.49
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1F	REAL300018526594	0	44	0.0	-71.51	346.28	8.20	-63.31
CC1(C)OC2(C[NH2+]CC3=C4NC=CC4=CC=C3)CC1(C(=O)[O-])C2	REAL300018526595	0	45	0.0	-68.26	350.93	7.50	-60.76
CC1(C)OC2(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)CC1(C(=O)[O-])C2	REAL300018526596	0	40	0.0	-81.41	339.61	7.30	-74.11
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3N3CCOCC3)CC1(C(=O)[O-])C2	REAL300018526597	0	54	0.0	-64.03	404.13	7.07	-56.96
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526598	0	53	0.0	-65.47	400.76	10.18	-55.29
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)=C2)C=C1	REAL300018526599	0	54	0.0	-69.09	415.18	11.58	-57.51
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC(C)=C1	REAL300018526600	0	47	0.0	-65.62	362.38	8.82	-56.80
COC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526601	0	45	0.0	-61.99	364.48	7.37	-54.62
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1[N+](=O)[O-]	REAL300018526602	0	47	0.0	-84.13	375.09	8.23	-75.90
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)CC1(C(=O)[O-])C2	REAL300018526603	0	41	0.0	-71.57	353.03	8.51	-63.06
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526604	0	47	0.0	-64.32	352.73	8.57	-55.75
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526605	0	54	0.0	-67.97	415.67	11.58	-56.39
CC1(C)OC2(C[NH2+]CC3=CC=CC(OC(F)F)=C3)CC1(C(=O)[O-])C2	REAL300018526606	0	45	0.0	-71.27	358.82	7.08	-64.19
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OCC	REAL300018526607	0	55	0.0	-72.37	422.02	8.54	-63.83
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526608	0	53	0.0	-60.87	367.91	8.82	-52.05
CC1(C)OC2(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)CC1(C(=O)[O-])C2	REAL300018526609	0	44	0.0	-76.50	371.46	8.91	-67.59
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C=C3Br)CC1(C(=O)[O-])C2	REAL300018526610	0	41	0.0	-66.65	342.25	8.12	-58.53
CC1(C)OC2(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)CC1(C(=O)[O-])C2	REAL300018526611	0	44	0.0	-78.13	359.20	6.60	-71.53
CC1(C)OC2(C[NH2+]CC3=CC=NC4=CC=CC=C34)CC1(C(=O)[O-])C2	REAL300018526612	0	46	0.0	-74.55	356.04	7.76	-66.79
CC1(C)OC2(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)CC1(C(=O)[O-])C2	REAL300018526613	0	45	0.0	-71.39	365.56	7.29	-64.10
CC1(C)OC2(C[NH2+]CC3=CC=C(S(C)(=O)=O)C=C3)CC1(C(=O)[O-])C2	REAL300018526614	0	47	0.0	-79.07	380.25	5.02	-74.05
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526615	0	55	0.0	-69.26	427.80	10.56	-58.70
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526616	0	54	0.0	-64.53	410.55	8.90	-55.63
CC1(C)OC2(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)CC1(C(=O)[O-])C2	REAL300018526617	0	48	0.0	-70.25	381.75	9.90	-60.35
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)CC1(C(=O)[O-])C2	REAL300018526618	0	51	0.0	-70.10	410.50	11.43	-58.67
CC1(C)OC2(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)CC1(C(=O)[O-])C2	REAL300018526619	0	51	0.0	-70.64	410.51	11.42	-59.22
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C2=CC=CC=C12	REAL300018526620	0	51	0.0	-70.18	388.89	8.99	-61.19
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526621	0	44	0.0	-64.31	353.16	8.18	-56.13
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526622	0	47	0.0	-72.20	366.82	7.86	-64.34
CC1(C)OC2(C[NH2+]CC3=CC=C4OCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526623	0	46	0.0	-70.62	355.46	7.33	-63.29
CC1(C)OC2(C[NH2+]CC3=CSC(Br)=C3)CC1(C(=O)[O-])C2	REAL300018526624	0	38	0.0	-69.33	331.22	7.18	-62.15
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3OCC3=CC=NC=C3)CC1(C(=O)[O-])C2	REAL300018526625	0	54	0.0	-65.39	424.31	9.08	-56.31
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)CC1(C(=O)[O-])C2	REAL300018526626	0	54	0.0	-63.71	424.31	9.07	-54.64
CC1(C)OC2(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)CC1(C(=O)[O-])C2	REAL300018526627	0	52	0.0	-71.04	393.49	7.41	-63.63
CC1(C)OC2(C[NH2+]CC3=CC=CC(NS(C)(=O)=O)=C3)CC1(C(=O)[O-])C2	REAL300018526628	0	49	0.0	-81.83	396.87	4.11	-77.72
CC1(C)OC2(C[NH2+]CC3=C4C=CNC4=CC=C3)CC1(C(=O)[O-])C2	REAL300018526629	0	45	0.0	-64.86	350.75	7.52	-57.34
CC1(C)OC2(C[NH2+]CC3=CC=C4C=CNC4=C3)CC1(C(=O)[O-])C2	REAL300018526630	0	45	0.0	-69.08	350.93	7.53	-61.55
CC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526631	0	44	0.0	-59.65	344.68	7.96	-51.69
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)CC1(C(=O)[O-])C2	REAL300018526632	0	44	0.0	-71.16	359.12	6.59	-64.57
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526633	0	44	0.0	-69.95	340.76	8.20	-61.75
CC1(C)OC2(C[NH2+]CC3=CC=C4OC(C)(C)CCC4=C3)CC1(C(=O)[O-])C2	REAL300018526634	0	55	0.0	-69.02	410.17	9.32	-59.70
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526635	0	56	0.0	-62.11	399.46	10.44	-51.67
CN(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526636	0	49	0.0	-60.87	370.67	7.54	-53.33
CC1(C)OC2(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)CC1(C(=O)[O-])C2	REAL300018526637	0	50	0.0	-71.15	388.79	9.14	-62.01
CC1(C)OC2(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)CC1(C(=O)[O-])C2	REAL300018526638	0	50	0.0	-72.73	388.99	9.15	-63.58
CN1CCN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)C=C2)CC1	REAL300018526639	1	58	0.0	-67.42	428.78	6.20	-61.22
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526640	0	57	0.0	-66.52	422.76	5.01	-61.51
CC1(C)OC2(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)CC1(C(=O)[O-])C2	REAL300018526641	0	50	0.0	-74.10	400.98	6.00	-68.10
CC1(C)OC2(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)CC1(C(=O)[O-])C2	REAL300018526642	0	51	0.0	-69.98	381.03	5.39	-64.59
CC1(C)OC2(C[NH2+]C3CCN(CC4=CC=C(Cl)C=C4)CC3)CC1(C(=O)[O-])C2	REAL300018526643	0	56	0.0	-65.51	429.16	8.47	-57.04
CC1(C)OC2(C[NH2+]C3CCN(CC4=CC=CC=C4Cl)CC3)CC1(C(=O)[O-])C2	REAL300018526644	0	56	0.0	-64.69	427.84	8.40	-56.29
CC1(C)OC2(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)CC1(C(=O)[O-])C2	REAL300018526645	0	55	0.0	-64.82	407.78	6.48	-58.34
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)CC1(C(=O)[O-])C2	REAL300018526646	0	48	0.0	-74.66	384.81	8.78	-65.88
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)CC1(C(=O)[O-])C2	REAL300018526647	0	48	0.0	-74.15	395.12	9.23	-64.92
CC(C)(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300018526648	0	50	0.0	-68.69	382.33	7.32	-61.37
CC1(C)OC2(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)CC1(C(=O)[O-])C2	REAL300018526649	0	48	0.0	-72.25	390.49	8.19	-64.06
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC=C3OC(F)F)CC1(C(=O)[O-])C2	REAL300018526651	0	45	0.0	-68.29	374.20	7.65	-60.64
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=CC=CC(Cl)=C4)S3)CC1(C(=O)[O-])C2	REAL300018526652	0	48	0.0	-68.48	404.14	10.79	-57.69
CC1(C)OC2(C[NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)CC1(C(=O)[O-])C2	REAL300018526653	0	51	0.0	-72.10	401.97	6.01	-66.09
COC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526654	0	52	0.0	-72.97	405.06	6.66	-66.31
CC1(C)OC2(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)CC1(C(=O)[O-])C2	REAL300018526655	0	51	0.0	-75.18	388.59	7.38	-67.80
CC1(C)OC2(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)CC1(C(=O)[O-])C2	REAL300018526656	0	54	0.0	-72.58	425.71	9.02	-63.56
CC1(C)OC2(C[NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)CC1(C(=O)[O-])C2	REAL300018526657	0	54	0.0	-70.59	423.60	9.08	-61.51
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526659	0	50	0.0	-69.85	384.77	7.14	-62.71
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526660	0	52	0.0	-68.65	404.55	6.99	-61.66
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1Cl	REAL300018526661	0	45	0.0	-72.19	365.10	7.35	-64.84
CC1(C)OC2(C[NH2+]CC3=CC4=CC(Cl)=CC(Cl)=C4OC3)CC1(C(=O)[O-])C2	REAL300018526662	0	47	0.0	-73.95	398.46	9.05	-64.90
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)CC1(C(=O)[O-])C2	REAL300018526663	0	46	0.0	-68.50	379.83	6.42	-62.08
CC1(C)OC2(C[NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)CC1(C(=O)[O-])C2	REAL300018526664	0	49	0.0	-70.10	383.83	7.22	-62.88
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526665	0	53	0.0	-71.16	400.95	9.07	-62.09
COC1=NC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526666	0	44	0.0	-66.28	366.67	4.86	-61.42
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526667	0	44	0.0	-65.51	345.34	4.27	-61.24
CC1(C)OC2(C[NH2+]CC3=CC=C(Br)C=N3)CC1(C(=O)[O-])C2	REAL300018526668	0	40	0.0	-68.27	335.86	6.28	-61.99
CC1(C)OC2(C[NH2+]CC3=CN=C(N4CCOCC4)S3)CC1(C(=O)[O-])C2	REAL300018526669	0	50	0.0	-70.29	393.24	4.81	-65.48
CC1(C)OC2(C[NH2+]CC3=CC=CC4=NC=CC=C34)CC1(C(=O)[O-])C2	REAL300018526670	0	46	0.0	-74.05	355.68	7.75	-66.30
CC1(C)OC2(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)CC1(C(=O)[O-])C2	REAL300018526671	0	48	0.0	-70.06	390.50	8.19	-61.87
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3OCCO4)CC1(C(=O)[O-])C2	REAL300018526672	0	47	0.0	-65.21	362.49	6.71	-58.50
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3OCCCO4)CC1(C(=O)[O-])C2	REAL300018526673	0	50	0.0	-66.65	379.42	7.52	-59.13
CC1(C)OC2(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)CC1(C(=O)[O-])C2	REAL300018526674	0	48	0.0	-67.83	380.58	9.85	-57.98
CC1(C)OC2(C[NH2+]C3CC(C4=CC=CC(Br)=C4)C3)CC1(C(=O)[O-])C2	REAL300018526675	0	48	0.0	-67.81	385.14	9.95	-57.86
CC1(C)OC2(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)CC1(C(=O)[O-])C2	REAL300018526676	0	48	0.0	-67.45	377.71	9.75	-57.70
CC1(C)OC2(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)CC1(C(=O)[O-])C2	REAL300018526677	0	49	0.0	-76.09	388.73	8.78	-67.31
CC1(C)OC2(C[NH2+]CC3=CN=C(N4CCOCC4)N=C3)CC1(C(=O)[O-])C2	REAL300018526678	0	52	0.0	-76.14	397.71	5.88	-70.26
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526679	0	53	0.0	-71.21	410.14	9.52	-61.69
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526680	0	51	0.0	-67.16	392.42	8.52	-58.64
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526681	0	50	0.0	-69.63	398.20	9.05	-60.58
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)CC1(C(=O)[O-])C2	REAL300018526682	0	48	0.0	-67.78	385.61	10.08	-57.70
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C(C4=CC=CS4)=C3)CC1(C(=O)[O-])C2	REAL300018526683	0	48	0.0	-73.35	396.27	10.27	-63.08
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)C=NC2=NN1	REAL300018526684	0	46	0.0	-81.95	362.63	6.02	-75.93
CC1(C)OC2(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)CC1(C(=O)[O-])C2	REAL300018526685	0	55	0.0	-69.07	413.66	9.68	-59.39
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526686	0	43	0.0	-68.04	347.75	6.22	-61.82
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)CC1(C(=O)[O-])C2	REAL300018526687	0	47	0.0	-60.19	363.94	10.59	-49.60
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C2=CC=CN=C2)=N1	REAL300018526688	0	50	0.0	-69.17	393.64	6.87	-62.30
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C2=CC=NC=C2)=N1	REAL300018526689	0	50	0.0	-73.62	393.66	6.91	-66.71
CC1(C)OC2(C[NH2+]CC3=CN=C4C=CC=CN34)CC1(C(=O)[O-])C2	REAL300018526690	0	44	0.0	-74.06	346.41	7.94	-66.12
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526691	0	45	0.0	-67.37	360.63	6.48	-60.89
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526692	0	51	0.0	-66.97	388.84	8.35	-58.62
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018526693	0	54	0.0	-66.63	428.44	9.53	-57.10
CC1=CC=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CS2)C=C1	REAL300018526694	0	50	0.0	-66.07	405.82	8.96	-57.11
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526695	0	46	0.0	-63.84	367.33	6.54	-57.30
CC1(C)OC2(C[NH2+]CC3=CSC(C4CC4)=N3)CC1(C(=O)[O-])C2	REAL300018526696	0	44	0.0	-64.28	356.02	6.73	-57.55
CC1(C)OC2(C[NH2+]CC3=CC=CC(OCC4=CC=CC=C4F)=C3)CC1(C(=O)[O-])C2	REAL300018526697	0	55	0.0	-69.54	434.55	10.94	-58.60
CC1(C)OC2(C[NH2+]CC3=CSC(COC4=CC=CC=C4)=N3)CC1(C(=O)[O-])C2	REAL300018526698	0	51	0.0	-67.93	416.00	7.82	-60.11
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526699	0	43	0.0	-63.94	347.61	5.97	-57.97
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526700	0	50	0.0	-67.43	382.94	9.69	-57.74
CC1=CC=CC(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526701	0	53	0.0	-64.45	397.93	10.29	-54.16
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526702	0	53	0.0	-68.04	415.26	10.62	-57.42
CC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526703	0	53	0.0	-64.44	397.93	10.29	-54.15
CC1(C)OC2(C[NH2+]C3CCC(F)(F)CC3)CC1(C(=O)[O-])C2	REAL300018526704	0	44	0.0	-69.59	331.14	7.07	-62.52
CC(C1=CC=CC=C1)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300018526705	0	56	0.0	-66.31	415.62	8.37	-57.94
CC1(C)OC2(C[NH2+]C3CCN(CC4CC4)CC3)CC1(C(=O)[O-])C2	REAL300018526706	1	53	0.0	-63.15	385.65	6.59	-56.56
CC(C)(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526707	0	49	0.0	-63.54	386.27	7.04	-56.50
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)CC1(C(=O)[O-])C2	REAL300018526708	0	44	0.0	-65.93	375.45	7.23	-58.70
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)CC1(C(=O)[O-])C2	REAL300018526709	0	48	0.0	-69.33	393.82	10.34	-58.99
CC1(C)OC2(C[NH2+]C3CCN(C4=CC=C(F)C=C4F)CC3)CC1(C(=O)[O-])C2	REAL300018526710	0	53	0.0	-67.73	398.22	7.92	-59.81
CC1(C)OC2(C[NH2+]CC3=CC4=NC=CN=C4C=C3)CC1(C(=O)[O-])C2	REAL300018526711	0	45	0.0	-75.36	355.61	5.92	-69.44
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3OC3CCCC3)CC1(C(=O)[O-])C2	REAL300018526712	0	55	0.0	-61.05	413.28	9.78	-51.27
CC1(C)OC2(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)CC1(C(=O)[O-])C2	REAL300018526713	0	44	0.0	-67.77	363.26	8.52	-59.25
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526714	0	49	0.0	-67.43	386.41	7.29	-60.14
CC(C)CN1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526715	1	55	0.0	-63.06	394.43	6.88	-56.18
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C(C)S1	REAL300018526716	0	44	0.0	-65.30	349.63	8.04	-57.26
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)S2)C=C1	REAL300018526717	0	51	0.0	-67.51	408.81	10.95	-56.56
CC1(C)OC2(C[NH2+]CC3=CC([N+](=O)[O-])=CC=C3OC(F)F)CC1(C(=O)[O-])C2	REAL300018526718	0	47	0.0	-76.28	385.66	7.80	-68.48
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526719	0	45	0.0	-68.46	381.81	7.94	-60.52
C#CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526720	0	47	0.0	-71.25	376.71	8.28	-62.97
CCOC1=C(OC)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018526721	0	56	0.0	-76.66	433.32	7.56	-69.10
CC1(C)OC2(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)CC1(C(=O)[O-])C2	REAL300018526722	0	55	0.0	-67.20	407.35	6.20	-61.00
CC(C)(C)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526723	1	55	0.0	-62.79	384.24	6.06	-56.73
COCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526724	0	55	0.0	-69.00	426.10	7.59	-61.41
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1SC	REAL300018526725	0	49	0.0	-72.66	388.48	7.84	-64.82
CCC(C)OC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1OC	REAL300018526726	0	58	0.0	-72.15	438.85	9.03	-63.12
C=C(C)COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1OC	REAL300018526727	0	56	0.0	-73.14	432.48	8.97	-64.17
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OCCC(C)C	REAL300018526728	0	61	0.0	-72.39	460.73	9.72	-62.67
CC1(C)OC2(C[NH2+]C3CCN(CCN4CCOCC4)CC3)CC1(C(=O)[O-])C2	REAL300018526729	0	62	0.0	-65.77	442.57	3.66	-62.11
CCOCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1OC	REAL300018526730	0	55	0.0	-67.08	423.16	7.71	-59.37
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)CC1(C(=O)[O-])C2	REAL300018526731	0	48	0.0	-75.49	378.97	7.43	-68.06
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526732	0	50	0.0	-71.38	397.78	8.46	-62.92
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526733	0	51	0.0	-69.50	416.98	6.02	-63.48
CCCC(CC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526734	0	53	0.0	-61.14	393.89	10.20	-50.94
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018526735	0	47	0.0	-72.88	372.47	7.33	-65.55
CC1(C)OC2(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)CC1(C(=O)[O-])C2	REAL300018526736	0	47	0.0	-68.05	382.72	8.27	-59.78
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1C	REAL300018526737	0	50	0.0	-69.07	383.27	7.14	-61.93
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526738	0	53	0.0	-69.32	415.26	10.62	-58.70
C=CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1Cl	REAL300018526739	0	49	0.0	-72.18	399.86	8.86	-63.32
CC1(C)OC2(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)CC1(C(=O)[O-])C2	REAL300018526740	0	47	0.0	-69.73	384.59	8.52	-61.21
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526741	0	54	0.0	-65.15	407.41	8.54	-56.61
CC(C)CCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526742	0	56	0.0	-61.58	398.67	10.12	-51.46
CCCCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526743	0	53	0.0	-61.82	385.22	9.21	-52.61
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C2OC(C)CC2=C1	REAL300018526744	0	53	0.0	-64.49	406.00	7.37	-57.12
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C2=CC=CC=C21	REAL300018526745	0	47	0.0	-68.26	369.51	7.42	-60.84
CC1(C)OC2(C[NH2+]CC3=C4C=CC=CC4=NN3)CC1(C(=O)[O-])C2	REAL300018526746	0	44	0.0	-77.97	346.46	6.12	-71.85
CC1(C)OC2(C[NH2+]CC3=NNC4=CC=CC=C43)CC1(C(=O)[O-])C2	REAL300018526746	1	44	0.0	-68.66	346.65	6.13	-62.53
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1F	REAL300018526747	0	49	0.0	-72.59	380.64	7.05	-65.54
CC1(C)OC2(C[NH2+]CC3=NC=CN3CC(F)(F)F)CC1(C(=O)[O-])C2	REAL300018526748	0	44	0.0	-69.60	356.77	6.99	-62.61
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526750	0	56	0.0	-62.57	422.41	11.16	-51.41
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CC=C2O1	REAL300018526751	0	52	0.0	-70.32	396.98	8.75	-61.57
CC1(C)OC2(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)CC1(C(=O)[O-])C2	REAL300018526752	0	47	0.0	-68.79	376.22	5.94	-62.85
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)CC1(C(=O)[O-])C2	REAL300018526753	0	44	0.0	-66.29	376.04	7.32	-58.97
CC(CC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526754	0	44	0.0	-61.53	344.58	7.76	-53.77
CC1(C)OC2(C[NH2+]CC3CCCCCCC3)CC1(C(=O)[O-])C2	REAL300018526755	0	53	0.0	-65.46	364.50	8.65	-56.81
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526756	0	51	0.0	-69.64	397.15	8.03	-61.61
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC(C(F)(F)F)=C1	REAL300018526757	0	48	0.0	-72.11	388.13	7.81	-64.30
CC1(C)OC2(C[NH2+]CC3=CC=C(Br)C=C3Cl)CC1(C(=O)[O-])C2	REAL300018526758	0	41	0.0	-66.59	353.56	8.56	-58.03
CC(CSC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526759	0	50	0.0	-59.36	375.85	8.26	-51.10
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)N1C	REAL300018526760	0	49	0.0	-71.91	378.20	6.57	-65.34
CC1(C)OC2(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)CC1(C(=O)[O-])C2	REAL300018526761	0	48	0.0	-72.31	378.48	7.81	-64.50
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526762	0	54	0.0	-68.28	412.52	9.22	-59.06
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526763	0	52	0.0	-70.78	404.55	7.00	-63.78
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526764	0	50	0.0	-61.61	390.21	10.23	-51.38
CC1(C)OC2(C[NH2+]CC3CCCC(C)(C)C3)CC1(C(=O)[O-])C2	REAL300018526765	0	53	0.0	-65.54	375.98	8.77	-56.77
CC1(C)OC2(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)CC1(C(=O)[O-])C2	REAL300018526766	0	45	0.0	-73.40	374.85	7.62	-65.78
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526767	0	52	0.0	-64.36	386.90	8.52	-55.84
CC1(C)OC2(C[NH2+]CC3=CC=C4CCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526768	0	48	0.0	-66.14	365.11	9.41	-56.73
CC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526769	0	50	0.0	-61.80	370.42	9.28	-52.52
CC1=CC=CC(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526770	0	50	0.0	-60.89	375.77	9.51	-51.38
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C(C)(C)O3)OCO2	REAL300018526771	0	48	0.0	-67.55	373.67	5.52	-62.03
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018526772	0	49	0.0	-67.43	390.11	7.17	-60.26
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)SC=C1	REAL300018526773	0	42	0.0	-60.08	339.68	5.92	-54.16
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526774	0	54	0.0	-66.95	412.53	9.22	-57.73
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)CC1(C(=O)[O-])C2	REAL300018526775	0	47	0.0	-73.24	366.09	9.67	-63.57
C=CCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018526776	0	53	0.0	-75.78	433.03	8.86	-66.92
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1CN1C=CC=N1	REAL300018526777	0	55	0.0	-73.87	431.65	8.49	-65.38
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526778	0	54	0.0	-61.19	411.11	9.28	-51.91
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)=C2O1	REAL300018526779	0	52	0.0	-61.88	396.78	8.71	-53.17
CC1(C)OC2(C[NH2+]CC3=C(Cl)C=NC=C3Cl)CC1(C(=O)[O-])C2	REAL300018526780	0	40	0.0	-61.90	343.02	6.54	-55.36
CC1(C)OC2(C[NH2+]CC3=NC4=C(CCCC4)S3)CC1(C(=O)[O-])C2	REAL300018526781	0	47	0.0	-64.96	368.08	7.24	-57.72
CC1(C)OC2(C[NH2+]CC3=CC=NC=C3Br)CC1(C(=O)[O-])C2	REAL300018526782	0	40	0.0	-67.13	331.25	6.27	-60.86
CC1(C)OC2(C[NH2+]CC3=CC=NC=C3Cl)CC1(C(=O)[O-])C2	REAL300018526783	0	40	0.0	-67.79	327.64	6.17	-61.62
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)N1CCOCC1	REAL300018526784	0	53	0.0	-64.15	372.77	4.50	-59.65
CC1(C)OC2(C[NH2+]CC3=CC(F)=CC(Br)=C3)CC1(C(=O)[O-])C2	REAL300018526785	0	41	0.0	-72.58	347.27	8.18	-64.40
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526786	0	47	0.0	-64.88	375.14	9.29	-55.59
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C2=CC=CC=C2)=N1	REAL300018526787	0	51	0.0	-69.70	398.86	8.65	-61.05
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300018526788	0	45	0.0	-73.88	352.52	6.08	-67.80
CC1(C)OC2(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)CC1(C(=O)[O-])C2	REAL300018526789	0	48	0.0	-70.00	377.98	8.69	-61.31
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3[N+](=O)[O-])CC1(C(=O)[O-])C2	REAL300018526790	0	46	0.0	-75.14	378.12	9.07	-66.07
CC1(C)OC2(C[NH2+]CC3=CC4=CC=NC=C4C=C3)CC1(C(=O)[O-])C2	REAL300018526791	0	46	0.0	-73.92	360.57	7.98	-65.94
CC1=C(Br)SC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526792	0	41	0.0	-68.65	351.06	7.93	-60.72
CC1(C)OC2(C[NH2+]CC3=CC=CC4=NNC=C43)CC1(C(=O)[O-])C2	REAL300018526793	0	44	0.0	-76.57	345.69	6.20	-70.37
CC1(C)OC2(C[NH2+]CC3=CC=CC4=CNN=C43)CC1(C(=O)[O-])C2	REAL300018526794	0	44	0.0	-63.51	345.84	6.18	-57.33
CC1(C)OC2(C[NH2+]CC3=CC4=CC(Br)=CC=C4O3)CC1(C(=O)[O-])C2	REAL300018526795	0	44	0.0	-71.56	368.73	8.64	-62.92
CC1(C)OC2(C[NH2+]CC3=CN=C4CCCN34)CC1(C(=O)[O-])C2	REAL300018526796	0	45	0.0	-70.88	345.57	7.08	-63.80
CC1(C)OC2(C[NH2+]C3CCN(S(C)(=O)=O)CC3)CC1(C(=O)[O-])C2	REAL300018526797	0	49	0.0	-74.64	374.39	3.39	-71.25
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526798	0	45	0.0	-70.81	355.48	6.87	-63.94
CC(CC1=CN=CC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526799	0	45	0.0	-60.21	342.09	5.85	-54.36
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=N1	REAL300018526800	0	51	0.0	-73.33	391.19	7.45	-65.88
COC1=CC=CC=C1N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526801	0	57	0.0	-67.07	417.04	7.46	-59.61
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(Cl)=C1	REAL300018526802	0	44	0.0	-62.43	353.68	8.61	-53.82
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526803	0	49	0.0	-67.24	386.93	6.42	-60.82
CC1(C)OC2(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)CC1(C(=O)[O-])C2	REAL300018526804	0	45	0.0	-61.57	371.53	7.54	-54.03
CC1(C)OC2(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)CC1(C(=O)[O-])C2	REAL300018526805	0	43	0.0	-85.27	360.24	8.54	-76.73
CC1(C)OC2(C[NH2+]CCC3=CC=CC(Cl)=C3)CC1(C(=O)[O-])C2	REAL300018526806	0	44	0.0	-69.10	357.81	8.78	-60.32
CC1(C)OC2(C[NH2+]C3CCCC3C3=CC=CC=C3)CC1(C(=O)[O-])C2	REAL300018526807	0	51	0.0	-63.12	379.23	9.82	-53.30
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1OC1=CC=CN=C1	REAL300018526808	0	54	0.0	-71.43	424.87	9.37	-62.06
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)S2)C=C1	REAL300018526809	0	50	0.0	-69.75	405.99	9.20	-60.55
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)CC1(C(=O)[O-])C2	REAL300018526810	0	46	0.0	-62.71	376.04	8.54	-54.17
CC1(C)OC2(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)CC1(C(=O)[O-])C2	REAL300018526811	0	46	0.0	-57.29	373.33	8.43	-48.86
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)CC1(C(=O)[O-])C2	REAL300018526812	0	46	0.0	-65.96	364.98	8.08	-57.88
CC1(C)OC2(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)CC1(C(=O)[O-])C2	REAL300018526813	0	46	0.0	-63.83	365.74	8.10	-55.73
CC1(C)OC2(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)CC1(C(=O)[O-])C2	REAL300018526814	0	46	0.0	-65.21	373.82	8.46	-56.75
CS(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526815	0	46	0.0	-78.98	371.78	6.09	-72.89
CC1(C)OC2(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)CC1(C(=O)[O-])C2	REAL300018526816	0	43	0.0	-77.05	360.48	8.61	-68.44
CC(C)CCN1C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526817	0	54	0.0	-65.80	406.59	9.89	-55.91
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)CC1(C(=O)[O-])C2	REAL300018526818	0	48	0.0	-69.80	394.30	9.55	-60.25
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300018526819	0	51	0.0	-70.11	406.72	10.14	-59.97
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)O2)C=C1	REAL300018526820	0	54	0.0	-68.40	422.70	10.83	-57.57
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(OC(F)F)=C1	REAL300018526821	0	49	0.0	-70.32	386.93	6.43	-63.89
CC(C)C1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CCO1	REAL300018526822	0	51	0.0	-63.77	361.11	6.88	-56.89
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C2=CC=CC=C2)=N1	REAL300018526823	0	54	0.0	-69.41	420.07	9.53	-59.88
CC1(C)OC2(C[NH2+]CC3=CC=C4CCCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526824	0	51	0.0	-65.65	382.26	9.99	-55.66
CC1(C)OC2(C[NH2+]C3CCC(C4CCCCC4)CC3)CC1(C(=O)[O-])C2	REAL300018526825	0	60	0.0	-61.22	409.54	10.71	-50.51
CC(C)CC(C)CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526826	0	55	0.0	-60.84	390.66	9.02	-51.82
CC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526827	0	50	0.0	-65.81	376.98	9.46	-56.35
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1C(C)(C)C	REAL300018526828	0	57	0.0	-67.70	420.24	9.48	-58.22
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)O1	REAL300018526829	0	45	0.0	-68.26	355.89	5.52	-62.74
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526830	0	54	0.0	-66.68	399.97	8.64	-58.04
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCCCC1	REAL300018526831	0	53	0.0	-63.94	375.42	8.93	-55.01
CC1(C)OC2(C[NH2+]CC3=CC=C(S(N)(=O)=O)C=C3)CC1(C(=O)[O-])C2	REAL300018526832	0	46	0.0	-79.69	373.79	2.45	-77.24
CC1(C)OC2(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)CC1(C(=O)[O-])C2	REAL300018526833	0	48	0.0	-66.97	372.64	9.57	-57.40
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C)=C1	REAL300018526834	0	51	0.0	-67.68	385.74	8.35	-59.33
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526835	0	48	0.0	-61.49	369.11	7.53	-53.96
CC1(C)OC2(C[NH2+]CC3CCC4=CC=CC=C4C3)CC1(C(=O)[O-])C2	REAL300018526836	0	51	0.0	-70.07	380.52	9.98	-60.09
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3N)CC1(C(=O)[O-])C2	REAL300018526837	0	43	0.0	-70.24	361.22	6.60	-63.64
CC1(C)OC2(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)CC1(C(=O)[O-])C2	REAL300018526838	0	51	0.0	-68.64	386.11	9.91	-58.73
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526839	0	45	0.0	-66.18	365.09	6.33	-59.85
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526840	0	47	0.0	-64.38	374.65	8.96	-55.42
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526841	0	47	0.0	-67.16	360.42	7.31	-59.85
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=CC=C1[N+](=O)[O-]	REAL300018526842	0	46	0.0	-79.58	357.19	8.62	-70.96
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1Br	REAL300018526843	0	44	0.0	-70.30	359.05	8.68	-61.62
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1Cl	REAL300018526844	0	45	0.0	-73.58	365.10	7.35	-66.23
COC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526845	0	48	0.0	-61.01	364.74	7.38	-53.63
CC1(C)OC2(C[NH2+]CC3=C4OC=CC4=CC=C3)CC1(C(=O)[O-])C2	REAL300018526846	0	44	0.0	-65.77	346.90	7.82	-57.95
CC1(C)OC2(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)CC1(C(=O)[O-])C2	REAL300018526847	0	48	0.0	-67.65	378.46	8.62	-59.03
CC1(C)OC2(C[NH2+]CC3=CN=C(C(F)(F)F)S3)CC1(C(=O)[O-])C2	REAL300018526848	0	40	0.0	-75.83	345.63	5.91	-69.92
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526849	0	47	0.0	-70.03	363.52	6.63	-63.40
CC1(C)OC2(C[NH2+]CC3=NN4CCCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526850	0	48	0.0	-64.38	364.16	6.83	-57.55
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526851	0	47	0.0	-65.69	362.46	8.93	-56.76
COC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526852	0	41	0.0	-70.24	337.08	3.10	-67.14
CC1(C)OC2(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)CC1(C(=O)[O-])C2	REAL300018526853	0	45	0.0	-70.98	359.46	9.11	-61.87
CC1(C)OC2(C[NH2+]CC3=CC4=C(C=N3)OCCO4)CC1(C(=O)[O-])C2	REAL300018526854	0	46	0.0	-67.95	359.00	4.86	-63.09
CC1(C)OC2(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)CC1(C(=O)[O-])C2	REAL300018526855	0	44	0.0	-72.86	363.13	8.44	-64.42
CC1=CC=CN2C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CN=C12	REAL300018526856	0	47	0.0	-73.79	367.85	8.53	-65.26
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CN=C1Cl	REAL300018526857	0	41	0.0	-74.93	335.90	6.36	-68.57
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CN=C1Br	REAL300018526858	0	41	0.0	-74.82	340.20	6.39	-68.43
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)CC1(C(=O)[O-])C2	REAL300018526859	0	47	0.0	-74.68	378.88	7.40	-67.28
CC1(C)OC2(C[NH2+]CC3=CC(C(F)(F)F)=NN3)CC1(C(=O)[O-])C2	REAL300018526860	0	41	0.0	-78.67	340.63	4.84	-73.83
CC1(C)OC2(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)CC1(C(=O)[O-])C2	REAL300018526861	0	45	0.0	-73.90	357.96	7.51	-66.39
CC1(C)OC2(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)CC1(C(=O)[O-])C2	REAL300018526862	0	45	0.0	-74.33	357.86	7.51	-66.82
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=N1	REAL300018526863	0	47	0.0	-67.56	368.59	5.09	-62.47
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526864	0	44	0.0	-68.72	349.04	8.49	-60.23
CC1(C)OC2(C[NH2+]CC3=CC4=CC=NC=C4S3)CC1(C(=O)[O-])C2	REAL300018526865	0	43	0.0	-72.45	351.69	7.25	-65.20
CC1=CC=CC2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)N21	REAL300018526866	0	47	0.0	-72.00	356.92	8.32	-63.68
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526867	0	53	0.0	-68.78	403.62	8.23	-60.55
C=CCCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526868	0	53	0.0	-61.17	393.92	9.49	-51.68
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526869	0	44	0.0	-68.99	357.71	8.66	-60.33
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526870	0	48	0.0	-68.26	374.63	7.23	-61.03
COCC(CC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526871	0	53	0.0	-59.82	378.21	6.52	-53.30
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)CC1(C(=O)[O-])C2	REAL300018526872	0	46	0.0	-79.87	366.98	7.94	-71.93
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC2=CC=CN=C12	REAL300018526873	0	49	0.0	-74.02	380.80	8.69	-65.33
CC(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C1	REAL300018526874	0	53	0.0	-61.80	374.35	8.59	-53.21
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1C	REAL300018526875	0	54	0.0	-68.48	412.49	9.27	-59.21
COC1=C(C)C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1C	REAL300018526876	0	50	0.0	-65.42	382.02	6.30	-59.12
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526877	0	51	0.0	-65.28	393.38	9.14	-56.14
CC1(C)OC2(C[NH2+]C3CCCCC34CCCC4)CC1(C(=O)[O-])C2	REAL300018526878	0	54	0.0	-60.27	372.27	9.33	-50.94
CC1(C)OC2(C[NH2+]CC3=CC=C(S(C)(=O)=O)S3)CC1(C(=O)[O-])C2	REAL300018526879	0	44	0.0	-77.74	372.64	4.18	-73.56
CC1(C)OC2(C[NH2+]CC3=C4N=CC(Br)=CN4N=C3)CC1(C(=O)[O-])C2	REAL300018526880	0	43	0.0	-66.19	363.47	7.03	-59.16
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)O2)C=C1	REAL300018526881	0	60	0.0	-68.22	455.92	11.70	-56.52
CC1(C)OC2(C[NH2+]CC3=CC=CC(F)=C3N)CC1(C(=O)[O-])C2	REAL300018526882	0	43	0.0	-69.03	335.62	5.61	-63.42
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CCN1CC1=CC=CC=C1	REAL300018526883	0	59	0.0	-63.24	418.50	8.10	-55.14
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526884	0	61	0.0	-63.60	454.18	10.34	-53.26
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526885	0	61	0.0	-63.58	460.23	10.64	-52.94
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)F)C=C3)CC1(C(=O)[O-])C2	REAL300018526886	0	44	0.0	-70.72	351.74	8.37	-62.35
CC1(C)OC2(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)CC1(C(=O)[O-])C2	REAL300018526887	0	43	0.0	-74.82	358.98	5.47	-69.35
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3CCC4)CC1(C(=O)[O-])C2	REAL300018526888	0	48	0.0	-65.47	363.77	9.32	-56.15
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C([N+](=O)[O-])=N1	REAL300018526889	0	43	0.0	-78.31	347.74	6.88	-71.43
CC1(C)OC2(C[NH2+]CC3=NC(Cl)=CS3)CC1(C(=O)[O-])C2	REAL300018526890	0	37	0.0	-69.42	321.33	5.06	-64.36
COC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526891	0	41	0.0	-72.79	336.88	3.42	-69.37
CC1(C)OC2(C[NH2+]CC3=CN=C4C=CC(Br)=CN34)CC1(C(=O)[O-])C2	REAL300018526892	0	44	0.0	-72.87	367.69	8.55	-64.32
CC1(C)OC2(C[NH2+]CC3=NC=CC4=CC=CC=C43)CC1(C(=O)[O-])C2	REAL300018526893	0	46	0.0	-66.79	357.30	7.78	-59.01
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526894	0	45	0.0	-57.82	361.80	7.27	-50.55
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)N1C1=CC=CC=C1	REAL300018526895	0	51	0.0	-65.98	398.60	9.77	-56.21
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526896	0	59	0.0	-69.92	454.40	12.27	-57.65
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1C	REAL300018526897	0	53	0.0	-69.02	404.77	7.89	-61.13
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1F	REAL300018526898	0	55	0.0	-71.57	418.84	8.55	-63.02
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C12CCCC2	REAL300018526899	0	55	0.0	-60.53	400.10	8.58	-51.95
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C(SC)C=C1OC	REAL300018526900	0	53	0.0	-66.16	413.92	7.64	-58.52
CN(C)C1=CC=C(N2CCC([NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)CC2)C=C1	REAL300018526901	0	61	0.0	-67.11	439.68	8.24	-58.87
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526902	0	52	0.0	-67.86	395.34	10.04	-57.82
CC1(C)OC2(C[NH2+]C3CCCC34CCCC4)CC1(C(=O)[O-])C2	REAL300018526903	0	51	0.0	-60.29	358.53	8.98	-51.31
CCCC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=CC=C1	REAL300018526904	0	53	0.0	-66.89	396.61	10.22	-56.67
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC(C2=CC=CC=C2)C1	REAL300018526905	0	57	0.0	-65.41	416.52	10.95	-54.46
CC1(C)OC2(C[NH2+]CC3=CN=C(C4CC4)O3)CC1(C(=O)[O-])C2	REAL300018526906	0	44	0.0	-69.98	348.28	4.80	-65.18
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526907	0	51	0.0	-63.62	393.88	8.48	-55.14
CC1(C)OC2(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)CC1(C(=O)[O-])C2	REAL300018526908	0	43	0.0	-69.39	357.65	7.02	-62.37
CC1(C)OC2(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)CC1(C(=O)[O-])C2	REAL300018526909	0	45	0.0	-69.23	363.87	7.20	-62.03
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC2=CC=CC=C21	REAL300018526910	0	51	0.0	-71.24	394.04	9.10	-62.14
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526911	0	47	0.0	-71.15	365.85	5.90	-65.25
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526912	0	48	0.0	-70.53	377.34	7.79	-62.74
COC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526913	0	51	0.0	-68.75	385.06	8.07	-60.68
CN1N=C(C2CC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526914	0	48	0.0	-73.51	371.89	7.15	-66.36
CC1(C)OC2(C[NH2+]C3CCC4(CCCCC4)CC3)CC1(C(=O)[O-])C2	REAL300018526916	0	57	0.0	-63.81	388.96	9.44	-54.37
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)C(C)C1=CC=CC=C1	REAL300018526917	0	50	0.0	-62.62	370.10	9.16	-53.46
CC1(C)OC2(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)CC1(C(=O)[O-])C2	REAL300018526918	0	49	0.0	-73.08	376.80	8.76	-64.32
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526919	0	56	0.0	-65.30	416.95	7.72	-57.58
COC1=CC=CC2=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)C=CC=C12	REAL300018526920	0	51	0.0	-70.21	388.92	8.99	-61.22
CC1(C)OC2(C[NH2+]CC3=CC=NN3CC3CC3)CC1(C(=O)[O-])C2	REAL300018526921	0	48	0.0	-69.92	369.09	7.55	-62.37
CC(CCC1=CC=CN=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526922	0	49	0.0	-67.98	371.36	7.83	-60.15
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526923	0	50	0.0	-65.60	379.79	9.42	-56.18
CC1(C)OC2(C[NH2+]CC3=CC=C(S(N)(=O)=O)O3)CC1(C(=O)[O-])C2	REAL300018526924	0	43	0.0	-79.11	356.92	0.64	-78.47
CC1(C)OC2(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)CC1(C(=O)[O-])C2	REAL300018526925	0	52	0.0	-69.83	400.10	10.63	-59.20
CC1(C)OC2(C[NH2+]C3CCC4(CCOCC4)CC3)CC1(C(=O)[O-])C2	REAL300018526926	0	55	0.0	-65.61	378.55	6.99	-58.62
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1C	REAL300018526927	0	47	0.0	-70.24	358.10	5.66	-64.58
CC1(C)OC2(C[NH2+]CC3=CC=CC(Cl)=C3N)CC1(C(=O)[O-])C2	REAL300018526928	0	43	0.0	-67.91	344.54	6.09	-61.82
CC1(C)OC2(C[NH2+]CCC3=CC=C(F)C=C3Cl)CC1(C(=O)[O-])C2	REAL300018526929	0	44	0.0	-68.81	360.10	8.71	-60.10
CC1(C)OC2(C[NH2+]CC3=CC4=CN=CC=C4O3)CC1(C(=O)[O-])C2	REAL300018526930	0	43	0.0	-73.48	342.17	6.29	-67.19
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)(F)F)S3)CC1(C(=O)[O-])C2	REAL300018526931	0	41	0.0	-71.79	350.44	7.80	-63.99
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)NC2=CC=C1	REAL300018526932	0	48	0.0	-71.47	372.40	8.08	-63.39
CCOC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526933	0	51	0.0	-64.36	372.77	6.84	-57.52
CC1(C)OC2(C[NH2+]CC3=CSC(C(F)(F)F)=C3)CC1(C(=O)[O-])C2	REAL300018526934	0	41	0.0	-72.70	350.19	7.64	-65.06
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C)=C1	REAL300018526935	0	54	0.0	-67.57	407.19	9.14	-58.43
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC1CC1	REAL300018526936	0	53	0.0	-74.05	409.35	8.37	-65.68
CC1(C)OC2(C[NH2+]C3CCC4(CCCC4)CC3)CC1(C(=O)[O-])C2	REAL300018526937	0	54	0.0	-62.50	376.38	9.03	-53.47
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)F)N=C3)CC1(C(=O)[O-])C2	REAL300018526938	0	43	0.0	-75.60	347.57	6.61	-68.99
CC1(C)OC2(C[NH2+]C3CCC4=CC=CC=C4CC3)CC1(C(=O)[O-])C2	REAL300018526939	0	51	0.0	-65.74	370.89	9.45	-56.29
CC1(C)OC2(C[NH2+]CC3=NC=C(Br)S3)CC1(C(=O)[O-])C2	REAL300018526940	0	37	0.0	-68.10	326.05	5.37	-62.73
CCC1(C)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526941	0	53	0.0	-62.89	368.21	8.30	-54.59
CC1(C)OC2(C[NH2+]C3CCCC4=CC=CC=C4C3)CC1(C(=O)[O-])C2	REAL300018526942	0	51	0.0	-65.82	372.42	9.52	-56.30
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C(F)F)=N1	REAL300018526943	0	44	0.0	-65.44	351.68	6.17	-59.27
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1CCCCCC1	REAL300018526944	0	53	0.0	-61.11	364.08	8.71	-52.40
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018526945	0	53	0.0	-63.13	405.01	9.85	-53.28
CCC1(CC)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526946	0	56	0.0	-63.11	382.68	8.81	-54.30
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3CCOC4)CC1(C(=O)[O-])C2	REAL300018526947	0	49	0.0	-68.24	366.35	7.46	-60.78
CC1(C)OC2(C[NH2+]CC3CC3C3=CC=C(F)C=C3)CC1(C(=O)[O-])C2	REAL300018526948	0	48	0.0	-67.56	369.76	9.42	-58.14
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526949	0	50	0.0	-62.95	380.90	9.18	-53.77
CC1(C)OC2(C[NH2+]CC3=CC=CC(S(N)(=O)=O)=C3)CC1(C(=O)[O-])C2	REAL300018526950	0	46	0.0	-78.25	373.80	2.44	-75.81
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526951	0	47	0.0	-70.92	358.77	6.78	-64.14
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)NC2=C1	REAL300018526952	0	48	0.0	-71.20	372.82	8.10	-63.10
CC1(C)OC2(C[NH2+]CC3=C4CCCN4N=C3)CC1(C(=O)[O-])C2	REAL300018526953	0	45	0.0	-69.34	346.09	6.11	-63.23
CC1(C)OC2(C[NH2+]CC3=NN4CCCC4=C3)CC1(C(=O)[O-])C2	REAL300018526954	0	45	0.0	-65.48	346.10	6.01	-59.47
CC1(C)OC2(C[NH2+]CC3=NC=C(C(F)(F)F)S3)CC1(C(=O)[O-])C2	REAL300018526955	0	40	0.0	-70.88	344.92	5.81	-65.07
CC1(C)OC2(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)CC1(C(=O)[O-])C2	REAL300018526956	0	45	0.0	-68.70	363.76	7.23	-61.47
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526957	0	49	0.0	-77.42	378.81	9.15	-68.27
CC1(C)OC2(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)CC1(C(=O)[O-])C2	REAL300018526958	0	57	0.0	-64.85	408.11	10.75	-54.10
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CN=C4O3)CC1(C(=O)[O-])C2	REAL300018526959	0	43	0.0	-74.06	342.21	4.98	-69.08
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)C=C2)=C1	REAL300018526960	0	57	0.0	-69.25	436.59	12.24	-57.01
CC1(C)OC2(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)CC1(C(=O)[O-])C2	REAL300018526961	0	51	0.0	-66.42	395.98	10.34	-56.08
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC=C1N1C=NC=N1	REAL300018526962	0	50	0.0	-77.66	393.85	11.03	-66.63
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526963	0	53	0.0	-61.38	368.14	8.51	-52.87
CC1(C)OC2(C[NH2+]C3CCCC(C)(C)CC3)CC1(C(=O)[O-])C2	REAL300018526964	0	53	0.0	-62.21	366.69	8.30	-53.91
CC(C)(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)CC1	REAL300018526965	0	59	0.0	-61.86	400.29	9.43	-52.43
CC1(C)OC2(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)CC1(C(=O)[O-])C2	REAL300018526966	0	44	0.0	-72.39	353.86	8.09	-64.30
CC1(C)OC2(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)CC1(C(=O)[O-])C2	REAL300018526967	0	48	0.0	-73.46	383.94	8.04	-65.42
CC1(C)OC2(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)CC1(C(=O)[O-])C2	REAL300018526968	0	48	0.0	-73.11	383.49	5.80	-67.31
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(Br)=C1	REAL300018526969	0	45	0.0	-65.04	365.33	7.34	-57.70
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C1	REAL300018526970	0	48	0.0	-67.42	374.63	7.22	-60.20
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526971	0	51	0.0	-73.93	415.53	9.77	-64.16
CN(C)CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CS1	REAL300018526972	0	48	0.0	-64.53	380.78	3.99	-60.54
CC1(C)OC2(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)CC1(C(=O)[O-])C2	REAL300018526973	0	52	0.0	-72.52	420.16	11.60	-60.92
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=C(OC(F)F)C=C1C	REAL300018526974	0	51	0.0	-66.34	396.54	8.36	-57.98
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526975	0	58	0.0	-65.18	419.96	8.36	-56.82
CC1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526976	0	47	0.0	-66.72	362.48	8.95	-57.77
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1OC	REAL300018526977	0	52	0.0	-71.01	393.09	7.31	-63.70
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3C3CC3)CC1(C(=O)[O-])C2	REAL300018526978	0	48	0.0	-64.61	362.62	9.49	-55.12
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3[N+](=O)[O-])CC1(C(=O)[O-])C2	REAL300018526979	0	43	0.0	-69.61	378.55	9.41	-60.20
CC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)S1	REAL300018526980	0	41	0.0	-66.95	352.15	8.00	-58.95
CC1(C)OC2(C[NH2+]CCC3=CC=C(F)C=C3F)CC1(C(=O)[O-])C2	REAL300018526981	0	44	0.0	-69.60	353.05	8.38	-61.22
CC1=CC(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)=CC(C)=C1	REAL300018526982	0	50	0.0	-66.76	383.89	9.60	-57.16
CC1(C)OC2(C[NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)CC1(C(=O)[O-])C2	REAL300018526983	0	48	0.0	-73.92	392.32	7.88	-66.04
CC1(C)OC2(C[NH2+]C3CCCCC3C3=CC=CC=C3Cl)CC1(C(=O)[O-])C2	REAL300018526984	0	54	0.0	-59.98	408.37	10.79	-49.19
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C(C)=C1OC	REAL300018526985	0	58	0.0	-67.38	430.67	8.60	-58.78
COC1=CC=C(N2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)C=N2)C=C1	REAL300018526986	0	52	0.0	-74.66	407.88	8.01	-66.65
CC(CCC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526987	0	47	0.0	-64.61	366.51	8.56	-56.05
COCCC1=CC=C(OCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C)(C)O3)C=C1	REAL300018526988	0	58	0.0	-66.19	441.30	8.24	-57.95
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526989	0	50	0.0	-65.59	393.73	10.02	-55.57
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526990	0	51	0.0	-74.40	410.91	9.94	-64.46
CC1(C)OC2(C[NH2+]CC3=C(F)C=NC=C3Br)CC1(C(=O)[O-])C2	REAL300018526991	0	40	0.0	-62.63	338.27	6.25	-56.38
CC1(C)OC2(C[NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)CC1(C(=O)[O-])C2	REAL300018526992	0	54	0.0	-67.00	412.44	10.85	-56.15
CC1(C)OC2(C[NH2+]C3CCCC3C3=CC=C(C(F)(F)F)C=C3)CC1(C(=O)[O-])C2	REAL300018526993	0	54	0.0	-66.69	412.32	11.20	-55.49
CC1(C)OC2(C[NH2+]CC3=CNN=C3C3=CSC=C3)CC1(C(=O)[O-])C2	REAL300018526994	0	45	0.0	-69.67	366.44	6.35	-63.32
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)CC1(C(=O)[O-])C2	REAL300018526995	0	47	0.0	-74.97	375.75	5.74	-69.23
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526996	0	47	0.0	-65.05	357.68	6.55	-58.50
CN1N=CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C)(C)O4)=CN=C21	REAL300018526997	0	46	0.0	-78.67	363.87	6.63	-72.04
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526998	0	50	0.0	-67.36	388.39	9.72	-57.64
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018526999	0	51	0.0	-56.25	408.65	10.18	-46.07
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C(C)(C)O2	REAL300018527000	1	61	0.0	-64.91	440.93	9.78	-55.13
COC1=CC=C([C@@H]2C[N@H+](CC3=CC(Cl)=CC4=C3OCC4)C[C@H]2C(=O)[O-])C=C1	REAL300018534634	0	49	0.0	-50.64	393.21	11.31	-39.33
COC1=CC=C([C@@H]2C[N@@H+](CC3=CC(Cl)=CC4=C3OCC4)C[C@H]2C(=O)[O-])C=C1	REAL300018534634	1	49	0.0	-50.83	401.66	11.25	-39.58
COC1=CC=C([C@@H]2C[N@H+](CC(C)CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300018534635	0	53	0.0	-53.20	404.31	12.91	-40.29
COC1=CC=C([C@@H]2C[N@@H+](CC(C)CC3=CC=CC=C3)C[C@H]2C(=O)[O-])C=C1	REAL300018534635	1	53	0.0	-54.86	404.80	12.91	-41.95
COC1=CC=C([C@@H]2C[N@H+](CC3=CN(C)N=C3C3CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300018534636	0	60	0.0	-58.48	455.55	12.46	-46.02
COC1=CC=C([C@@H]2C[N@@H+](CC3=CN(C)N=C3C3CCCCC3)C[C@H]2C(=O)[O-])C=C1	REAL300018534636	1	60	0.0	-55.04	456.45	12.46	-42.58
COC1=CC=C([C@@H]2C[N@H+](CC3=CN(CC4=CC=CN=C4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534637	0	52	0.0	-61.81	422.63	9.46	-52.35
COC1=CC=C([C@@H]2C[N@@H+](CC3=CN(CC4=CC=CN=C4)N=N3)C[C@H]2C(=O)[O-])C=C1	REAL300018534637	1	52	0.0	-69.02	422.49	9.48	-59.54
CCC1CCCC(C[N@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018534638	0	56	0.0	-50.50	399.63	12.17	-38.33
CCC1CCCC(C[N@@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C1	REAL300018534638	1	56	0.0	-50.18	400.89	12.19	-37.99
COC1=CC=C([C@@H]2C[N@H+](CC3CCCCC3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534639	0	53	0.0	-50.17	377.52	11.39	-38.78
COC1=CC=C([C@@H]2C[N@@H+](CC3CCCCC3C)C[C@H]2C(=O)[O-])C=C1	REAL300018534639	1	53	0.0	-52.23	386.06	11.66	-40.57
COC1=CC=C([C@@H]2C[N@H+](CC3=NC=C(C(C)C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300018534640	0	49	0.0	-48.22	397.99	10.24	-37.98
COC1=CC=C([C@@H]2C[N@@H+](CC3=NC=C(C(C)C)S3)C[C@H]2C(=O)[O-])C=C1	REAL300018534640	1	49	0.0	-49.55	396.61	10.19	-39.36
COC1=CC=C([C@@H]2C[N@H+](CC=CC3=CC=C(F)C=C3F)C[C@H]2C(=O)[O-])C=C1	REAL300018534641	0	48	0.0	-51.79	392.58	12.34	-39.45
COC1=CC=C([C@@H]2C[N@@H+](CC=CC3=CC=C(F)C=C3F)C[C@H]2C(=O)[O-])C=C1	REAL300018534641	1	48	0.0	-56.77	392.12	12.34	-44.43
COC1=CC=C([C@@H]2C[N@H+](CC3CC4CCC3C4)C[C@H]2C(=O)[O-])C=C1	REAL300018534642	0	51	0.0	-48.50	373.19	11.51	-36.99
COC1=CC=C([C@@H]2C[N@@H+](CC3CC4CCC3C4)C[C@H]2C(=O)[O-])C=C1	REAL300018534642	1	51	0.0	-53.83	368.64	11.20	-42.63
COC1=CC=C([C@@H]2C[N@H+](CC3=C(Br)C=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300018534643	0	41	0.0	-49.40	350.49	10.28	-39.12
COC1=CC=C([C@@H]2C[N@@H+](CC3=C(Br)C=CS3)C[C@H]2C(=O)[O-])C=C1	REAL300018534643	1	41	0.0	-46.37	357.92	10.50	-35.87
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CCCOC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=C1OC	REAL300018534999	0	58	0.0	-56.46	450.37	11.77	-44.69
CCCOC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=C1OC	REAL300018534999	1	58	0.0	-58.97	449.57	11.73	-47.24
C=CCOC1=CC=C(C[N@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=C1OC	REAL300018535000	0	56	0.0	-59.65	439.32	11.50	-48.15
C=CCOC1=CC=C(C[N@@H+]2C[C@@H](C3=CC=C(OC)C=C3)[C@H](C(=O)[O-])C2)C=C1OC	REAL300018535000	1	56	0.0	-59.53	440.97	11.51	-48.02
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536107	0	35	0.0	-78.12	325.27	9.74	-68.38
CC1=C(C[NH2+]C2CC(C)(C)CC(C)(C)C2)C=C(C(=O)[O-])S1	REAL300018536108	0	48	0.0	-69.77	359.23	9.94	-59.83
CC1=C(C[NH2+]C2CCC3=CC(Br)=CC=C3C2)C=C(C(=O)[O-])S1	REAL300018536109	0	40	0.0	-76.18	347.39	10.80	-65.38
CC1=C(C[NH2+]C(C)CCC2=CNC3=CC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536110	0	46	0.0	-72.55	377.67	10.83	-61.72
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(Cl)=C1OC	REAL300018536111	0	41	0.0	-78.54	363.46	8.42	-70.12
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C(C(=O)[O-])S1	REAL300018536112	0	40	0.0	-77.30	356.13	11.26	-66.04
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3S2)C=C(C(=O)[O-])S1	REAL300018536113	0	36	0.0	-74.16	326.95	10.20	-63.96
CC1=C(C[NH2+]CC2=CC=C(OC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300018536114	0	43	0.0	-75.60	358.08	9.49	-66.11
CCCCCCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536115	0	55	0.0	-75.95	447.64	12.80	-63.15
CC1=C(C[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300018536116	0	54	0.0	-73.00	421.73	13.01	-59.99
CC1=C(C[NH2+]CC2=C3NC=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300018536117	0	37	0.0	-75.65	320.12	8.65	-67.00
CC1=C(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)C=C(C(=O)[O-])S1	REAL300018536118	1	32	0.0	-90.94	308.84	8.44	-82.50
CC1=C(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C=C(C(=O)[O-])S1	REAL300018536119	0	46	0.0	-72.17	373.24	8.21	-63.96
CC1=C(C[NH2+]CC2=CC=C(CC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300018536120	0	45	0.0	-72.73	369.96	11.33	-61.40
CC1=C(C[NH2+]CC2=CC(C3=CC=C(C)C=C3)=CC=C2)C=C(C(=O)[O-])S1	REAL300018536121	0	46	0.0	-76.52	384.38	12.73	-63.79
COC1=CC=C(Br)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536122	0	37	0.0	-66.01	333.50	8.51	-57.50
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018536123	0	39	0.0	-94.52	345.09	9.39	-85.13
CC1=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536124	0	33	0.0	-79.00	322.26	9.65	-69.35
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3C)=CC=C2)C=C(C(=O)[O-])S1	REAL300018536125	0	46	0.0	-76.21	385.65	12.74	-63.47
CC1=C(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536126	0	37	0.0	-79.06	328.02	8.23	-70.83
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536127	0	43	0.0	-79.14	384.54	9.52	-69.62
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OCC	REAL300018536128	0	47	0.0	-80.55	392.02	9.69	-70.86
CC1=C(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536129	0	36	0.0	-86.03	341.46	10.07	-75.96
CC1=C(C[NH2+]CC2=CC=C(F)C=C2Br)C=C(C(=O)[O-])S1	REAL300018536130	0	33	0.0	-69.70	310.38	9.29	-60.41
CC1=C(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=C(C(=O)[O-])S1	REAL300018536131	0	36	0.0	-87.14	328.37	7.75	-79.39
CC1=C(C[NH2+]CC2=CC=NC3=CC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536132	0	38	0.0	-82.31	325.21	8.91	-73.40
CC1=C(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536133	0	37	0.0	-80.10	335.56	8.45	-71.65
CC1=C(C[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C=C(C(=O)[O-])S1	REAL300018536134	0	39	0.0	-86.65	349.49	6.16	-80.49
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536135	0	47	0.0	-76.60	396.93	11.71	-64.89
CC1=C(C[NH2+]C(C)CCOCC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536136	0	46	0.0	-70.69	379.78	10.05	-60.64
CC1=C(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C=C(C(=O)[O-])S1	REAL300018536137	0	40	0.0	-75.91	349.23	10.93	-64.98
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536138	0	43	0.0	-77.36	379.70	12.58	-64.78
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C(C(=O)[O-])S1	REAL300018536139	0	43	0.0	-78.31	379.70	12.57	-65.74
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)C=C(C(=O)[O-])S1	REAL300018536140	0	43	0.0	-76.25	388.85	11.55	-64.70
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018536141	0	43	0.0	-78.10	358.12	10.12	-67.98
CC1=C(C[NH2+]CC2=NC3=CC=CC=C3N2C)C=C(C(=O)[O-])S1	REAL300018536142	1	39	0.0	-82.39	335.20	8.99	-73.40
CC1=C(C[NH2+]CC2=CC=C3OCCC3=C2)C=C(C(=O)[O-])S1	REAL300018536143	0	38	0.0	-77.76	324.65	8.49	-69.27
CC1=C(C[NH2+]CC2=CSC(Br)=C2)C=C(C(=O)[O-])S1	REAL300018536144	0	30	0.0	-77.53	300.42	8.33	-69.20
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OCC1=CC=CN=C1	REAL300018536145	0	50	0.0	-84.71	424.11	10.03	-74.68
CC1=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)C=C(C(=O)[O-])S1	REAL300018536146	0	46	0.0	-74.03	393.56	10.23	-63.80
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C(C2=CC=CC=C2)C=C1OC	REAL300018536147	0	51	0.0	-71.84	419.99	11.25	-60.59
CC1=C(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300018536148	0	46	0.0	-71.53	393.50	10.21	-61.32
CC1=C(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536149	0	44	0.0	-77.90	362.72	8.54	-69.36
CC1=C(C[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300018536150	0	41	0.0	-87.43	363.15	5.37	-82.06
CC1=C(C[NH2+]CC2=C3C=CNC3=CC=C2)C=C(C(=O)[O-])S1	REAL300018536151	0	37	0.0	-72.36	319.94	8.66	-63.70
CC1=C(C[NH2+]CC2=CC=C3C=CNC3=C2)C=C(C(=O)[O-])S1	REAL300018536152	0	37	0.0	-76.11	320.13	8.67	-67.44
CC1=C(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C=C(C(=O)[O-])S1	REAL300018536153	0	36	0.0	-81.60	328.35	7.74	-73.86
CC1=C(C[NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C=C(C(=O)[O-])S1	REAL300018536154	0	47	0.0	-76.90	379.40	10.47	-66.43
CC1=C(C[NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536155	0	48	0.0	-68.37	365.46	11.49	-56.88
CC1=C(C[NH2+]CC2=CC=CC=C2N(C)C)C=C(C(=O)[O-])S1	REAL300018536156	0	41	0.0	-68.97	339.99	8.64	-60.33
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=C(C(=O)[O-])S1	REAL300018536157	0	42	0.0	-79.10	357.99	10.29	-68.81
CC1=C(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C(C(=O)[O-])S1	REAL300018536158	0	42	0.0	-80.69	358.98	10.31	-70.38
CC1=C(C[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536159	1	50	0.0	-74.57	397.98	7.35	-67.22
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536160	0	49	0.0	-73.52	393.00	6.18	-67.34
CC1=C(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C=C(C(=O)[O-])S1	REAL300018536161	0	42	0.0	-81.54	370.18	7.15	-74.39
CC1=C(C[NH2+]C2CCN(C3=CN=CC=N3)CC2)C=C(C(=O)[O-])S1	REAL300018536162	0	43	0.0	-76.09	348.65	6.49	-69.60
CC1=C(C[NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C=C(C(=O)[O-])S1	REAL300018536163	0	48	0.0	-70.20	396.80	9.57	-60.63
CC1=C(C[NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C=C(C(=O)[O-])S1	REAL300018536164	0	48	0.0	-72.07	397.45	9.84	-62.23
CC1=C(C[NH2+]C2CCN(CC3=CC=CC=N3)CC2)C=C(C(=O)[O-])S1	REAL300018536165	0	47	0.0	-69.74	375.41	7.58	-62.16
CC1=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536166	0	40	0.0	-83.21	354.01	9.92	-73.29
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536167	0	46	0.0	-79.42	403.69	11.28	-68.14
CC1=C(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536168	0	40	0.0	-82.54	364.32	10.38	-72.16
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536169	0	46	0.0	-84.81	400.54	11.00	-73.81
CC1=C(C[NH2+]CC2=CN(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300018536170	0	42	0.0	-77.00	351.52	8.46	-68.54
CC1=C(C[NH2+]CC2=CC(C)=C(OCC3=CC=CC=N3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536171	0	52	0.0	-78.84	434.60	11.74	-67.10
CC1=C(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536174	0	40	0.0	-80.16	359.69	9.33	-70.83
CC1=C(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536176	0	37	0.0	-75.73	343.42	8.79	-66.94
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C=C(C(=O)[O-])S1	REAL300018536177	0	40	0.0	-74.15	373.34	11.93	-62.22
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C=C(C(=O)[O-])S1	REAL300018536178	0	43	0.0	-83.12	371.16	7.16	-75.96
COC1=CC=CC(C2=NNC=C2C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536179	0	44	0.0	-78.74	375.30	7.82	-70.92
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1OCC(F)(F)F	REAL300018536180	0	44	0.0	-84.76	389.74	9.24	-75.52
CC1=C(C[NH2+]CC2=CN=C(N3CCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536181	0	43	0.0	-82.84	357.82	8.51	-74.33
CC1=C(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536182	0	46	0.0	-80.17	394.91	10.16	-70.01
CC1=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C=C(C(=O)[O-])S1	REAL300018536183	0	46	0.0	-78.16	392.80	10.23	-67.93
CC1=C(C[NH2+]CC2=CN(C)N=C2C(C)C)C=C(C(=O)[O-])S1	REAL300018536185	0	42	0.0	-77.82	353.97	8.29	-69.53
CC1=C(C[NH2+]CC2=CC(Br)=C3OCCOC3=C2)C=C(C(=O)[O-])S1	REAL300018536186	0	39	0.0	-80.13	353.61	8.46	-71.67
CC1=C(C[NH2+]CC2=CC=C(N3C=CC(C(F)(F)F)=N3)C=C2)C=C(C(=O)[O-])S1	REAL300018536187	0	43	0.0	-86.84	388.29	10.81	-76.03
COCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536188	0	44	0.0	-76.70	373.75	8.14	-68.56
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300018536189	0	37	0.0	-81.11	335.10	8.51	-72.60
CC1=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3OC2)C=C(C(=O)[O-])S1	REAL300018536190	0	39	0.0	-79.28	356.14	9.76	-69.52
CC1=C(C[NH2+]CC2=CC3=CC(Cl)=CC(Cl)=C3OC2)C=C(C(=O)[O-])S1	REAL300018536191	0	39	0.0	-81.09	367.69	10.19	-70.90
CC1=C(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)C=C(C(=O)[O-])S1	REAL300018536192	1	38	0.0	-73.04	349.83	7.58	-65.46
CC1=C(C[NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)C=C(C(=O)[O-])S1	REAL300018536193	1	41	0.0	-81.16	353.03	8.37	-72.79
CC1=C(C[NH2+]CC2=NC3=CC=CC=C3N2C(C)C)C=C(C(=O)[O-])S1	REAL300018536194	1	45	0.0	-81.93	370.93	10.23	-71.70
COC1=NC=C(Br)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536195	1	36	0.0	-74.64	335.84	6.02	-68.62
CC1=C(C[NH2+]CC2=CC=C(Br)C=N2)C=C(C(=O)[O-])S1	REAL300018536196	0	32	0.0	-73.82	305.86	7.43	-66.39
CC1=C(C[NH2+]CC2=CN=C(N3CCOCC3)S2)C=C(C(=O)[O-])S1	REAL300018536197	0	42	0.0	-77.81	363.24	5.97	-71.84
CC1=C(C[NH2+]CC2=CC=CC3=NC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536198	0	38	0.0	-81.86	324.90	8.89	-72.97
CC1=C(C[NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536199	0	40	0.0	-78.33	359.70	9.33	-69.00
CC1=C(C[NH2+]CC2=CC=CC3=C2OCCO3)C=C(C(=O)[O-])S1	REAL300018536200	0	39	0.0	-73.56	331.66	7.86	-65.70
CC1=C(C[NH2+]CC2=CC=CC3=C2OCCCO3)C=C(C(=O)[O-])S1	REAL300018536201	0	42	0.0	-74.49	348.57	8.66	-65.83
CC1=C(C[NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C=C(C(=O)[O-])S1	REAL300018536202	0	40	0.0	-73.68	348.34	10.96	-62.72
CC1=C(C[NH2+]C2CC(C3=CC=CC(Br)=C3)C2)C=C(C(=O)[O-])S1	REAL300018536203	0	40	0.0	-73.67	352.90	11.05	-62.62
CC1=C(C[NH2+]C2CC(C3=CC=CC=C3Cl)C2)C=C(C(=O)[O-])S1	REAL300018536204	0	40	0.0	-74.44	345.36	10.86	-63.58
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536205	0	41	0.0	-83.68	357.92	9.93	-73.75
CC1=C(C[NH2+]CC2=CN=C(N3CCOCC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536206	0	44	0.0	-83.64	366.92	7.02	-76.62
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536207	1	45	0.0	-80.25	373.49	10.66	-69.59
CCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536208	0	43	0.0	-75.20	361.62	9.67	-65.53
C#CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536209	0	42	0.0	-76.94	367.43	10.19	-66.75
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C=C(C(=O)[O-])S1	REAL300018536210	0	40	0.0	-74.70	355.61	11.24	-63.46
CC1=C(C[NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C=C(C(=O)[O-])S1	REAL300018536211	0	40	0.0	-82.03	366.27	11.43	-70.60
CC1=C2C=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C=NC2=NN1	REAL300018536212	0	38	0.0	-88.16	331.86	7.16	-81.00
CC1=C(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)C=C(C(=O)[O-])S1	REAL300018536213	0	47	0.0	-75.36	383.66	10.85	-64.51
CC1=C(C[NH2+]CC2=CC=CC=C2N2C=NC=N2)C=C(C(=O)[O-])S1	REAL300018536214	0	39	0.0	-69.73	333.09	11.75	-57.98
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300018536215	0	42	0.0	-73.24	363.78	8.04	-65.20
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=NC=C2)C=C(C(=O)[O-])S1	REAL300018536216	0	42	0.0	-84.01	362.96	8.05	-75.96
CC1=C(C[NH2+]CC2=CN=C3C=CC=CN23)C=C(C(=O)[O-])S1	REAL300018536217	0	36	0.0	-83.50	316.40	9.10	-74.40
CC1=C(C[NH2+]CC2=CN=C(N(C)C)S2)C=C(C(=O)[O-])S1	REAL300018536218	0	37	0.0	-74.73	331.78	7.67	-67.06
CC1=C(C[NH2+]CC2=CC=CC(OC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300018536219	0	43	0.0	-75.55	358.84	9.51	-66.04
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC3=CC=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536220	0	46	0.0	-76.94	398.44	10.69	-66.25
CC1=C(C[NH2+]CC2=CSC(C3=CC=C(C)C=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536221	1	42	0.0	-71.81	375.82	10.12	-61.69
CC1=C(C[NH2+]CC2=CSC(C(C)C)=N2)C=C(C(=O)[O-])S1	REAL300018536222	1	38	0.0	-69.05	336.53	7.68	-61.37
CC1=C(C[NH2+]CC2=CSC(C3CC3)=N2)C=C(C(=O)[O-])S1	REAL300018536223	1	36	0.0	-69.37	325.22	7.87	-61.50
CC1=C(C[NH2+]CC2=CC=CC(OCC3=CC=CC=C3F)=C2)C=C(C(=O)[O-])S1	REAL300018536224	0	47	0.0	-77.60	404.55	12.10	-65.50
CC1=C(C[NH2+]C(C)CCC2=CC=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300018536226	0	42	0.0	-73.63	352.17	10.84	-62.79
CC1=C(C[NH2+]C(C)CCC2=CC(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300018536227	0	45	0.0	-70.77	367.17	11.44	-59.33
CC1=C(C[NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536228	0	45	0.0	-74.19	384.49	11.76	-62.43
CC1=C(C[NH2+]C(C)CCC2=CC=C(C)C=C2)C=C(C(=O)[O-])S1	REAL300018536229	0	45	0.0	-71.80	367.13	11.46	-60.34
CC1=C(C[NH2+]C2CCN(CC3=C(F)C=CC=C3Cl)CC2)C=C(C(=O)[O-])S1	REAL300018536230	0	48	0.0	-69.21	397.20	9.42	-59.79
CC1=C(C[NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300018536231	0	48	0.0	-70.27	384.05	9.21	-61.06
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=C([N+](=O)[O-])C=C2)C=C(C(=O)[O-])S1	REAL300018536232	0	45	0.0	-83.88	396.35	10.48	-73.40
CC1=C(CNC2CC[NH+](CC3CC3)CC2)C=C(C(=O)[O-])S1	REAL300018536233	0	45	0.0	-73.65	354.65	8.88	-64.77
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536235	0	56	0.0	-74.59	449.40	13.04	-61.55
CC1=C(C[NH2+]CC2=CSC(C(C)(C)C)=N2)C=C(C(=O)[O-])S1	REAL300018536236	1	41	0.0	-69.32	356.27	8.20	-61.12
CC1=C(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536237	1	36	0.0	-71.14	344.65	8.37	-62.77
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C=C(C(=O)[O-])S1	REAL300018536238	0	40	0.0	-74.88	363.02	11.49	-63.39
CC1=C(C[NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C=C(C(=O)[O-])S1	REAL300018536239	0	45	0.0	-72.80	365.87	9.03	-63.77
CC1=C(C[NH2+]CC2=CC3=NC=CN=C3C=C2)C=C(C(=O)[O-])S1	REAL300018536240	0	37	0.0	-82.53	325.61	7.07	-75.46
CC1=C(C[NH2+]CC2=CC=CC=C2OC2CCCC2)C=C(C(=O)[O-])S1	REAL300018536241	0	47	0.0	-69.17	382.46	10.92	-58.25
CC1=C(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C=C(C(=O)[O-])S1	REAL300018536242	1	36	0.0	-73.17	333.26	9.67	-63.50
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C)S2)C=C(C(=O)[O-])S1	REAL300018536243	0	41	0.0	-74.99	356.40	8.45	-66.54
CC1=C(CNC2CC[NH+](CC(C)C)CC2)C=C(C(=O)[O-])S1	REAL300018536244	0	47	0.0	-72.82	362.02	8.78	-64.04
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536245	0	50	0.0	-74.72	420.90	9.57	-65.15
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C=C(C(=O)[O-])S1	REAL300018536246	0	43	0.0	-74.03	378.80	12.11	-61.92
CC1=C(C[NH2+]CC2=CC([N+](=O)[O-])=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536247	1	39	0.0	-83.12	354.90	8.94	-74.18
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536248	0	37	0.0	-77.22	351.11	9.08	-68.14
C#CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536249	0	39	0.0	-79.06	345.93	9.42	-69.64
CCC(CCC1=CC=C(Br)C=C1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536250	0	45	0.0	-72.38	377.79	11.88	-60.50
CC1=C(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536251	0	44	0.0	-77.40	390.28	11.64	-65.76
CCOC1=C(OC)C=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300018536252	0	48	0.0	-84.13	402.52	8.70	-75.43
CC1=C(C[NH2+]C2CCN(CC3=CC=NC=C3)CC2)C=C(C(=O)[O-])S1	REAL300018536253	0	47	0.0	-74.96	375.81	7.45	-67.51
CC1=C(CNC2CC[NH+](C(C)(C)C)CC2)C=C(C(=O)[O-])S1	REAL300018536254	0	47	0.0	-67.67	355.41	8.07	-59.60
COCCCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536255	0	47	0.0	-77.07	395.29	8.74	-68.33
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1SC	REAL300018536256	0	41	0.0	-80.85	358.48	9.00	-71.85
CCC(C)OC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC	REAL300018536257	0	50	0.0	-80.04	408.85	10.19	-69.85
C=C(C)COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC	REAL300018536258	0	48	0.0	-81.14	402.15	10.12	-71.02
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OCCC(C)C	REAL300018536259	0	53	0.0	-80.27	430.73	10.88	-69.39
CC1=C(C[NH2+]C2CCN(CCN3CCOCC3)CC2)C=C(C(=O)[O-])S1	REAL300018536260	0	54	0.0	-70.91	409.11	4.59	-66.32
CCOCC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1OC	REAL300018536261	0	47	0.0	-76.06	393.15	8.87	-67.19
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)C=C(C(=O)[O-])S1	REAL300018536262	0	40	0.0	-83.05	348.96	8.59	-74.46
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536263	1	42	0.0	-78.20	367.00	9.60	-68.60
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536264	1	43	0.0	-78.51	386.18	7.16	-71.35
CCCC(CC1=CC=CC=C1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536265	0	45	0.0	-64.94	347.46	10.86	-54.08
CC1=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)C=C(C(=O)[O-])S1	REAL300018536266	1	39	0.0	-77.26	341.67	8.47	-68.79
CC1=C(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)C=C(C(=O)[O-])S1	REAL300018536267	1	39	0.0	-76.60	351.92	9.42	-67.18
CCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536268	0	42	0.0	-75.81	352.24	8.26	-67.55
CC1=C(C[NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536269	0	45	0.0	-77.09	384.46	11.78	-65.31
C=CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300018536270	0	41	0.0	-81.52	369.86	10.01	-71.51
CC1=C(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C=C(C(=O)[O-])S1	REAL300018536271	0	39	0.0	-77.14	354.59	9.68	-67.46
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536272	0	46	0.0	-76.32	371.47	9.45	-66.87
CC1=C(C[NH2+]C2CCCC2CCC(C)C)C=C(C(=O)[O-])S1	REAL300018536273	0	48	0.0	-68.40	366.46	11.25	-57.15
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C2OC(C)CC2=C1	REAL300018536274	0	45	0.0	-73.31	375.22	8.51	-64.80
CC1=C(C[NH2+]CC2=NN(C)C3=CC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536275	1	39	0.0	-74.37	339.52	8.57	-65.80
CC1=C(C[NH2+]CC2=C3C=CC=CC3=NN2)C=C(C(=O)[O-])S1	REAL300018536276	0	36	0.0	-85.43	316.45	7.27	-78.16
CC1=C(C[NH2+]CC2=CC=C(N(C)C)C(F)=C2)C=C(C(=O)[O-])S1	REAL300018536277	0	41	0.0	-80.98	349.83	8.19	-72.79
CC1=C(C[NH2+]CC2=NC=CN2CC(F)(F)F)C=C(C(=O)[O-])S1	REAL300018536278	1	36	0.0	-74.58	326.85	8.22	-66.36
CC1=C(CNC2CC[NH+](C3CCCCC3C)CC2)C=C(C(=O)[O-])S1	REAL300018536279	0	54	0.0	-71.21	394.02	10.20	-61.01
CC1=C(C[NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C=C(C(=O)[O-])S1	REAL300018536280	0	48	0.0	-71.89	385.80	12.08	-59.81
CC1=C(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536281	1	42	0.0	-76.23	379.66	8.10	-68.13
CC1=C(C[NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C=C(C(=O)[O-])S1	REAL300018536282	0	44	0.0	-78.21	366.22	9.88	-68.33
CC1=C(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536283	1	39	0.0	-73.90	345.42	7.08	-66.82
CC1=C(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)C=C(C(=O)[O-])S1	REAL300018536284	1	36	0.0	-71.15	345.24	8.47	-62.68
CC1=C(C[NH2+]CC2=CNN=C2C2=CC(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300018536285	0	43	0.0	-75.27	367.21	9.18	-66.09
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC(C(F)(F)F)=C1	REAL300018536286	0	40	0.0	-80.08	357.02	8.93	-71.15
CC1=C(C[NH2+]CC2=CC=C(Br)C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536287	0	33	0.0	-70.24	321.90	9.73	-60.51
CC1=C(C[NH2+]C(C)CSC(C)(C)C)C=C(C(=O)[O-])S1	REAL300018536288	0	42	0.0	-67.89	345.08	9.41	-58.48
CC1=C(C[NH2+]CC2=CN=C(N(C)C)N2C)C=C(C(=O)[O-])S1	REAL300018536289	0	41	0.0	-80.50	348.21	7.73	-72.77
CC1=C(C[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)C=C(C(=O)[O-])S1	REAL300018536290	1	40	0.0	-77.43	348.49	8.96	-68.47
CC1=C(C[NH2+]CC2=CC=C(OCC(C)C)C=C2)C=C(C(=O)[O-])S1	REAL300018536291	0	46	0.0	-75.97	381.75	10.36	-65.61
COCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536292	0	44	0.0	-78.48	373.77	8.14	-70.34
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536293	0	42	0.0	-71.11	355.64	10.91	-60.20
CC1=C(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536294	0	37	0.0	-81.68	344.85	8.78	-72.90
CC1=C(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)C=C(C(=O)[O-])S1	REAL300018536295	1	41	0.0	-80.84	382.61	10.11	-70.73
CC1=C(C[NH2+]CC2=CC=C(N(C)C)C=C2C)C=C(C(=O)[O-])S1	REAL300018536296	0	44	0.0	-71.79	355.06	9.67	-62.12
CC1=C(C[NH2+]CC2=CC=C3CCCC3=C2)C=C(C(=O)[O-])S1	REAL300018536297	0	40	0.0	-73.46	334.30	10.55	-62.91
CC1=C(C[NH2+]C(C)CC2=CC=CC=C2C)C=C(C(=O)[O-])S1	REAL300018536298	0	42	0.0	-70.52	339.56	10.42	-60.10
CC1=C(C[NH2+]C(C)CC2=CC(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300018536299	0	42	0.0	-64.91	345.01	10.66	-54.25
COC1=CC2=C(C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1)OCO2	REAL300018536300	0	40	0.0	-75.44	342.94	6.67	-68.77
COC1=CC(Cl)=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300018536301	0	41	0.0	-71.75	359.30	8.31	-63.44
CC1=C(C[NH2+]CC2=CC=CC(OCC(C)C)=C2)C=C(C(=O)[O-])S1	REAL300018536302	0	46	0.0	-74.87	381.72	10.37	-64.50
CC1=C(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536303	0	53	0.0	-77.12	428.79	7.51	-69.61
CC1=C(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536304	0	39	0.0	-81.08	335.33	10.80	-70.28
C=CCOC1=C(Cl)C=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300018536305	0	45	0.0	-84.29	402.26	10.00	-74.29
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1CN1C=CC=N1	REAL300018536306	0	47	0.0	-81.53	401.66	9.65	-71.88
CC1=C(C[NH2+]CC2=CC=CC=C2OCC(C)C)C=C(C(=O)[O-])S1	REAL300018536307	0	46	0.0	-69.35	380.37	10.43	-58.92
CC1=C(C[NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C=C(C(=O)[O-])S1	REAL300018536308	0	44	0.0	-70.37	366.09	9.86	-60.51
CC1=C(C[NH2+]CC2=C(Cl)C=NC=C2Cl)C=C(C(=O)[O-])S1	REAL300018536309	1	32	0.0	-68.22	312.26	7.68	-60.54
CC1=C(C[NH2+]CC2=NC3=C(CCCC3)S2)C=C(C(=O)[O-])S1	REAL300018536310	1	39	0.0	-73.05	337.31	8.39	-64.66
CC1=C(C[NH2+]CC2=CC=NC=C2Br)C=C(C(=O)[O-])S1	REAL300018536311	1	32	0.0	-70.36	299.64	7.44	-62.92
CC1=C(C[NH2+]CC(C)(C)N2CCOCC2)C=C(C(=O)[O-])S1	REAL300018536312	0	45	0.0	-70.15	342.04	5.66	-64.49
CC1=C(C[NH2+]CC2=CC(F)=CC(Br)=C2)C=C(C(=O)[O-])S1	REAL300018536313	0	33	0.0	-80.04	316.51	9.32	-70.72
CC1=C(C[NH2+]C(C)CC2=CC=C(F)C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536314	0	39	0.0	-73.56	344.37	10.45	-63.11
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536315	0	43	0.0	-74.99	368.79	9.83	-65.16
CC1=C(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C=C(C(=O)[O-])S1	REAL300018536316	0	40	0.0	-80.01	347.92	9.85	-70.16
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536317	0	38	0.0	-86.92	347.63	10.25	-76.67
CC1=C(C[NH2+]CC2=CC3=CC=NC=C3C=C2)C=C(C(=O)[O-])S1	REAL300018536318	0	38	0.0	-82.17	330.57	9.14	-73.03
CC1=C(Br)SC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536319	0	33	0.0	-74.70	320.29	9.07	-65.63
CC1=C(C[NH2+]CC2=CC=CC3=NNC=C32)C=C(C(=O)[O-])S1	REAL300018536320	0	36	0.0	-83.60	314.89	7.34	-76.26
CC1=C(C[NH2+]CC2=CC=CC3=CNN=C32)C=C(C(=O)[O-])S1	REAL300018536321	0	36	0.0	-72.66	315.04	7.33	-65.33
CC1=C(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536322	0	36	0.0	-77.63	337.93	9.78	-67.85
CC1=C(C[NH2+]C2CCN(S(C)(=O)=O)CC2)C=C(C(=O)[O-])S1	REAL300018536323	0	41	0.0	-82.95	342.50	4.48	-78.47
COC1=CC(F)=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536324	0	37	0.0	-78.03	324.68	8.01	-70.02
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C)N=C2)C=C(C(=O)[O-])S1	REAL300018536325	0	43	0.0	-80.78	360.39	8.60	-72.18
COC1=CC=CC=C1N1CCC([NH2+]CC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300018536326	0	49	0.0	-72.31	384.72	8.54	-63.77
CC1=C(C[NH2+]CC2=CC=C(C)C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536327	0	36	0.0	-71.71	322.87	9.75	-61.96
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536328	0	41	0.0	-74.75	356.16	7.56	-67.19
CC1=C(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536329	1	37	0.0	-69.59	340.74	8.69	-60.90
CC1=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536330	0	35	0.0	-94.46	330.24	9.70	-84.76
CC1=C(C[NH2+]CCC2=CC=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536331	0	36	0.0	-75.46	327.00	9.94	-65.52
CC1=C(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)C=C(C(=O)[O-])S1	REAL300018536332	0	53	0.0	-76.68	443.02	13.48	-63.20
CC1=C(C[NH2+]C2CCCC2C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536333	0	43	0.0	-68.65	347.75	10.95	-57.70
CC1=C(C[NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536334	0	46	0.0	-79.20	394.87	10.53	-68.67
CC1=C(C[NH2+]C(C)CC2=CC=C(F)C=C2Br)C=C(C(=O)[O-])S1	REAL300018536335	0	39	0.0	-73.42	347.86	10.51	-62.91
CC1=C(C[NH2+]CC2=CN=C(C3=CC=C(C)C=C3)S2)C=C(C(=O)[O-])S1	REAL300018536336	0	42	0.0	-77.01	375.99	10.36	-66.65
CC1=C(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C=C(C(=O)[O-])S1	REAL300018536337	0	38	0.0	-71.08	345.28	9.68	-61.40
CC1=C(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C=C(C(=O)[O-])S1	REAL300018536338	0	38	0.0	-64.26	343.32	9.59	-54.67
CC1=C(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)C=C(C(=O)[O-])S1	REAL300018536339	0	38	0.0	-75.18	334.18	9.21	-65.97
CC1=C(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)C=C(C(=O)[O-])S1	REAL300018536340	0	38	0.0	-72.23	334.99	9.24	-62.99
CC1=C(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)C=C(C(=O)[O-])S1	REAL300018536341	0	38	0.0	-74.43	343.03	9.60	-64.83
CC1=C(C[NH2+]CC2=CC=C(S(C)=O)C=C2)C=C(C(=O)[O-])S1	REAL300018536342	0	38	0.0	-88.96	341.00	7.23	-81.73
CC1=C(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536343	1	35	0.0	-86.93	329.68	9.76	-77.17
CC1=C(C[NH2+]CC2=CC=CN2CCC(C)C)C=C(C(=O)[O-])S1	REAL300018536344	0	46	0.0	-74.78	376.75	11.04	-63.74
CC1=C(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)C=C(C(=O)[O-])S1	REAL300018536345	0	40	0.0	-75.99	364.30	10.71	-65.28
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3C)O2)C=C(C(=O)[O-])S1	REAL300018536346	0	43	0.0	-76.46	376.69	11.29	-65.17
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)O2)C=C1	REAL300018536347	0	46	0.0	-74.34	391.89	11.97	-62.37
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(OC(F)F)=C1	REAL300018536348	0	41	0.0	-78.80	356.13	7.58	-71.22
CCN1C=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300018536349	0	46	0.0	-74.40	389.69	10.68	-63.72
CC1=C(C[NH2+]CC2=CC=C3CCCCC3=C2)C=C(C(=O)[O-])S1	REAL300018536350	0	43	0.0	-72.94	351.46	11.14	-61.80
CC1=C(C[NH2+]C2CCC(C3CCCCC3)CC2)C=C(C(=O)[O-])S1	REAL300018536351	0	52	0.0	-70.23	379.53	11.85	-58.38
CC1=C(C[NH2+]CC(C)C2=CC=C(C)C=C2)C=C(C(=O)[O-])S1	REAL300018536352	0	42	0.0	-72.36	346.18	10.63	-61.73
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1C(C)(C)C	REAL300018536353	0	49	0.0	-75.74	390.24	10.64	-65.10
CC1=C(C[NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300018536354	0	46	0.0	-75.22	369.97	9.79	-65.43
CC1=C(C[NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C=C(C(=O)[O-])S1	REAL300018536355	0	38	0.0	-87.20	343.03	3.59	-83.61
CC1=C(C[NH2+]C2CCC3=CC=CC(Cl)=C3C2)C=C(C(=O)[O-])S1	REAL300018536356	0	40	0.0	-70.59	340.16	10.62	-59.97
CCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300018536357	0	43	0.0	-75.42	354.94	9.50	-65.92
COC1=CC(C)=CC=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536358	0	40	0.0	-69.79	338.31	8.67	-61.12
CC1=C(C[NH2+]CC2CCC3=CC=CC=C3C2)C=C(C(=O)[O-])S1	REAL300018536359	0	43	0.0	-76.45	348.33	11.09	-65.36
CC1=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C=C(C(=O)[O-])S1	REAL300018536360	0	35	0.0	-77.53	330.43	7.74	-69.79
CC1=C(C[NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C=C(C(=O)[O-])S1	REAL300018536361	0	43	0.0	-75.53	354.41	11.09	-64.44
COCC1=CSC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536362	0	37	0.0	-73.06	335.09	7.49	-65.57
CCCC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)S1	REAL300018536363	0	39	0.0	-70.46	343.86	10.11	-60.35
CC1=C(C[NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C=C(C(=O)[O-])S1	REAL300018536364	0	38	0.0	-89.56	327.21	9.71	-79.85
CC1=C(C[NH2+]CC2=CC=C(Br)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536365	0	36	0.0	-77.81	328.25	9.83	-67.98
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1Cl	REAL300018536366	0	37	0.0	-81.47	335.10	8.51	-72.96
COC1=CC=CC(C)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536367	0	40	0.0	-68.84	333.06	8.55	-60.29
CC1=C(C[NH2+]CC2=C3OC=CC3=CC=C2)C=C(C(=O)[O-])S1	REAL300018536368	0	36	0.0	-74.48	316.11	8.97	-65.51
CC1=C(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536369	1	40	0.0	-72.90	347.65	9.77	-63.13
CC1=C(C[NH2+]CC2=CN=C(C(F)(F)F)S2)C=C(C(=O)[O-])S1	REAL300018536370	0	32	0.0	-83.45	315.63	7.07	-76.38
CC1=C(C[NH2+]CC2=NN3CCCCC3=C2)C=C(C(=O)[O-])S1	REAL300018536371	1	40	0.0	-69.83	333.36	7.98	-61.85
CC1=C(C[NH2+]C2CC3=CC=C(Cl)C=C3C2)C=C(C(=O)[O-])S1	REAL300018536372	0	37	0.0	-78.42	328.08	10.25	-68.17
CC1=C(C[NH2+]CC2=CC3=C(C=N2)OCCO3)C=C(C(=O)[O-])S1	REAL300018536373	1	38	0.0	-73.69	328.23	6.00	-67.69
CC1=C(C[NH2+]CC2=CN=C3C=CC(Cl)=CN23)C=C(C(=O)[O-])S1	REAL300018536374	0	36	0.0	-80.62	332.32	9.59	-71.03
CC1=C(C[NH2+]CC2=CN=C3C(C)=CC=CN23)C=C(C(=O)[O-])S1	REAL300018536375	0	39	0.0	-82.55	337.05	9.68	-72.87
CC1=C(C[NH2+]CC2=CN=C(Br)N2C)C=C(C(=O)[O-])S1	REAL300018536376	0	33	0.0	-83.70	310.18	7.55	-76.15
CC1=C(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C=C(C(=O)[O-])S1	REAL300018536377	1	39	0.0	-79.33	348.88	8.55	-70.78
CC1=C(C[NH2+]CC2=CC(C(F)(F)F)=NN2)C=C(C(=O)[O-])S1	REAL300018536378	0	33	0.0	-86.89	310.62	6.00	-80.89
CC1=C(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)C=C(C(=O)[O-])S1	REAL300018536379	0	37	0.0	-80.33	327.95	8.67	-71.66
CC1=C(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)C=C(C(=O)[O-])S1	REAL300018536380	0	37	0.0	-82.07	327.06	8.66	-73.41
CCOC1=CC=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=N1	REAL300018536381	0	39	0.0	-72.90	337.82	6.23	-66.67
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2C)C=C(C(=O)[O-])S1	REAL300018536382	0	36	0.0	-76.40	317.66	9.71	-66.69
CC1=C(C[NH2+]CC2=CC3=CC=NC=C3S2)C=C(C(=O)[O-])S1	REAL300018536383	0	35	0.0	-78.58	320.92	8.40	-70.18
CC1=C(C[NH2+]CC2=CN=C3C=CC=C(C)N23)C=C(C(=O)[O-])S1	REAL300018536384	0	39	0.0	-80.83	324.41	9.38	-71.45
CC1=C(C[NH2+]C(C)CCC2=NNC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300018536385	0	45	0.0	-75.38	372.82	9.37	-66.01
CC1=C(C[NH2+]CC2=CC(C)=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536386	0	36	0.0	-75.32	326.94	9.80	-65.52
COCC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536387	0	40	0.0	-75.55	343.83	8.38	-67.17
CC1=C(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C=C(C(=O)[O-])S1	REAL300018536388	0	38	0.0	-89.62	336.98	9.09	-80.53
CC1=C(C[NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536389	0	41	0.0	-80.76	350.01	9.84	-70.92
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1C	REAL300018536390	0	46	0.0	-76.38	382.49	10.43	-65.95
COC1=C(C)C=NC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536391	0	42	0.0	-70.67	351.29	7.45	-63.22
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536392	0	43	0.0	-74.08	362.67	10.28	-63.80
CC1=C(C[NH2+]C2CCCCC23CCCC3)C=C(C(=O)[O-])S1	REAL300018536393	0	46	0.0	-66.21	338.64	10.35	-55.86
CC1=C(C[NH2+]CC2=CC=C(S(C)(=O)=O)S2)C=C(C(=O)[O-])S1	REAL300018536394	0	36	0.0	-84.36	342.64	5.34	-79.02
CC1=C(C[NH2+]CC2=C3N=CC(Br)=CN3N=C2)C=C(C(=O)[O-])S1	REAL300018536395	0	35	0.0	-74.69	332.67	8.18	-66.51
CC1=C(C[NH2+]CC2=CC=C(C3=CC=C(C(C)(C)C)C=C3)O2)C=C(C(=O)[O-])S1	REAL300018536396	0	52	0.0	-74.51	425.92	12.86	-61.65
CC1=C(C[NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C=C(C(=O)[O-])S1	REAL300018536397	0	51	0.0	-71.04	390.12	9.30	-61.74
CC1=C(CNC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C=C(C(=O)[O-])S1	REAL300018536397	1	51	0.0	-66.64	396.33	11.21	-55.43
CC1=C(CNC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C=C(C(=O)[O-])S1	REAL300018536397	1	51	0.0	-72.33	400.86	10.76	-61.57
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536398	0	53	0.0	-69.04	412.48	11.84	-57.20
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536399	0	53	0.0	-71.53	431.20	11.77	-59.76
CC1=C(C[NH2+]CC2=CC=C(C(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536400	0	36	0.0	-79.92	322.96	9.57	-70.35
CC1=C(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C=C(C(=O)[O-])S1	REAL300018536401	0	35	0.0	-80.01	328.18	6.62	-73.39
CC1=C(C[NH2+]CC2=CC=CC3=C2CCC3)C=C(C(=O)[O-])S1	REAL300018536402	0	40	0.0	-72.68	332.98	10.47	-62.21
CC1=C(C[NH2+]CC2=CN(C)N=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536403	1	35	0.0	-89.81	316.94	8.03	-81.78
CC1=C(C[NH2+]CC2=NC(Cl)=CS2)C=C(C(=O)[O-])S1	REAL300018536404	1	29	0.0	-78.20	290.53	6.21	-71.99
CC1=C(C[NH2+]CC2=CN=C3C=CC(Br)=CN23)C=C(C(=O)[O-])S1	REAL300018536405	0	36	0.0	-80.60	336.88	9.70	-70.90
CC1=C(C[NH2+]CC2=NC=CC3=CC=CC=C32)C=C(C(=O)[O-])S1	REAL300018536406	0	38	0.0	-75.79	326.49	8.93	-66.86
COC1=CC=CC(Cl)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536407	1	37	0.0	-65.13	330.98	8.42	-56.71
CC1=NC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)N1C1=CC=CC=C1	REAL300018536408	0	43	0.0	-72.64	368.60	10.92	-61.72
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536409	0	51	0.0	-77.22	423.60	13.41	-63.81
CCCN1N=C(C)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536410	0	45	0.0	-75.64	373.73	9.02	-66.62
CCN(CC)C1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1F	REAL300018536411	0	47	0.0	-80.72	390.03	9.83	-70.89
CCOC1CC([NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C12CCCC2	REAL300018536412	0	47	0.0	-66.92	370.86	9.71	-57.21
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C(SC)C=C1OC	REAL300018536413	0	45	0.0	-74.61	383.11	8.78	-65.83
CC1=C(C[NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)C=C(C(=O)[O-])S1	REAL300018536414	0	53	0.0	-74.29	408.51	9.36	-64.93
CC1=C(C[NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536415	0	44	0.0	-75.27	365.24	11.14	-64.13
CCCC(C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300018536416	0	45	0.0	-74.02	365.79	11.25	-62.77
CC1=C(C[NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300018536417	0	49	0.0	-65.88	365.88	12.48	-53.40
CC1=C(C[NH2+]CC2=CC(F)=CC=C2OC(C)C)C=C(C(=O)[O-])S1	REAL300018536418	0	43	0.0	-71.35	363.07	9.64	-61.71
CC1=C(C[NH2+]CC2=NC3=CC=C(F)C=C3S2)C=C(C(=O)[O-])S1	REAL300018536419	1	35	0.0	-77.36	326.86	8.17	-69.19
CC1=C(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536420	0	37	0.0	-76.67	333.10	8.35	-68.32
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300018536421	0	43	0.0	-78.47	363.25	10.25	-68.22
CCOC1=CN=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536422	0	39	0.0	-79.00	335.85	7.06	-71.94
CCOC1=CC(F)=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536423	0	40	0.0	-78.10	346.56	8.93	-69.17
COC1=CC=C(C(C)C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536424	0	43	0.0	-75.10	354.29	9.24	-65.86
CC1=C(C[NH2+]CC2=CC(C3CC3)=NN2C)C=C(C(=O)[O-])S1	REAL300018536425	0	40	0.0	-81.77	341.88	8.31	-73.46
CC1=C(C[NH2+]C2CCC3(CCCCC3)CC2)C=C(C(=O)[O-])S1	REAL300018536426	0	49	0.0	-69.31	356.26	10.51	-58.80
CC1=C(C[NH2+]C(C)C(C)C2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536427	0	42	0.0	-69.15	339.33	10.31	-58.84
CC1=C(C[NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C=C(C(=O)[O-])S1	REAL300018536428	0	41	0.0	-79.39	342.97	9.76	-69.63
CC1=C(C[NH2+]C2CN(CC3=CC=CC=C3)CC2C)C=C(C(=O)[O-])S1	REAL300018536429	0	48	0.0	-71.07	381.90	9.26	-61.81
COC1=CC=CC2=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C=CC=C12	REAL300018536430	0	43	0.0	-78.18	358.14	10.12	-68.06
CC1=C(C[NH2+]CC2=CC=NN2CC2CC2)C=C(C(=O)[O-])S1	REAL300018536431	0	40	0.0	-77.13	332.42	8.37	-68.76
CC1=C(C[NH2+]C(C)CCC2=CC=CN=C2)C=C(C(=O)[O-])S1	REAL300018536432	0	41	0.0	-74.40	340.56	8.99	-65.41
CC1=C(C[NH2+]CC2=CC=CC(C(C)C)=C2)C=C(C(=O)[O-])S1	REAL300018536433	0	42	0.0	-73.37	349.79	10.58	-62.79
CC1=C(C[NH2+]CC2=CC=C(S(N)(=O)=O)O2)C=C(C(=O)[O-])S1	REAL300018536434	1	35	0.0	-85.03	326.93	1.80	-83.23
CC1=C(C[NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C=C(C(=O)[O-])S1	REAL300018536435	0	44	0.0	-75.12	367.62	11.68	-63.44
CC1=C(C[NH2+]C2CCC3(CCOCC3)CC2)C=C(C(=O)[O-])S1	REAL300018536436	0	47	0.0	-73.46	347.79	8.16	-65.30
COC1=CN=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536437	0	39	0.0	-77.62	327.30	6.80	-70.82
CC1=C(C[NH2+]CC2=CC=CC(Cl)=C2N)C=C(C(=O)[O-])S1	REAL300018536438	0	35	0.0	-75.91	313.76	7.23	-68.68
CC1=C(C[NH2+]CCC2=CC=C(F)C=C2Cl)C=C(C(=O)[O-])S1	REAL300018536439	0	36	0.0	-74.30	330.43	9.90	-64.40
CC1=C(C[NH2+]CC2=CC3=CN=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536440	0	35	0.0	-79.86	312.17	7.45	-72.41
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)S2)C=C(C(=O)[O-])S1	REAL300018536441	0	33	0.0	-78.35	320.43	8.96	-69.39
CC1=C(C[NH2+]CC2=CC3=C(C)C=CC=C3N2)C=C(C(=O)[O-])S1	REAL300018536442	0	40	0.0	-79.20	342.39	9.24	-69.96
CC1=C(C[NH2+]CC2=CSC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536443	0	33	0.0	-81.05	319.38	8.79	-72.26
CCCOC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300018536444	0	46	0.0	-75.24	376.41	10.31	-64.93
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OC1CC1	REAL300018536445	0	45	0.0	-81.94	379.35	9.52	-72.42
CC1=C(C[NH2+]C2CCC3(CCCC3)CC2)C=C(C(=O)[O-])S1	REAL300018536446	0	46	0.0	-69.89	345.62	10.19	-59.70
CC1=C(C[NH2+]CC2=CC=C(C(F)F)N=C2)C=C(C(=O)[O-])S1	REAL300018536447	0	35	0.0	-82.41	318.21	7.71	-74.70
CC1=C(C[NH2+]C2CCC3=CC=CC=C3CC2)C=C(C(=O)[O-])S1	REAL300018536448	0	43	0.0	-71.41	339.91	10.64	-60.77
CC1=C(C[NH2+]CC2=NC=C(Br)S2)C=C(C(=O)[O-])S1	REAL300018536449	1	29	0.0	-76.03	295.24	6.52	-69.51
CC1=C(C[NH2+]C2CCCC3=CC=CC=C3C2)C=C(C(=O)[O-])S1	REAL300018536450	0	43	0.0	-70.77	340.15	10.63	-60.14
CC1=C(C[NH2+]CC2=CN(C)N=C2C(F)F)C=C(C(=O)[O-])S1	REAL300018536451	0	36	0.0	-79.33	318.99	7.31	-72.02
CC1=C(C[NH2+]C(C)C2=CC=C(C3=CC=CC=C3)C=N2)C=C(C(=O)[O-])S1	REAL300018536452	0	45	0.0	-70.71	374.19	11.00	-59.71
CCC1(CC)CCC([NH2+]CC2=C(C)SC(C(=O)[O-])=C2)CC1	REAL300018536453	0	48	0.0	-69.86	350.41	9.90	-59.96
CC1=C(C[NH2+]CC2=CC=CC3=C2CCOC3)C=C(C(=O)[O-])S1	REAL300018536454	0	41	0.0	-75.87	335.59	8.61	-67.26
CC1=C(C[NH2+]CC2CC2C2=CC=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300018536455	0	40	0.0	-73.53	339.00	10.59	-62.94
CC1=C(C[NH2+]C(C)CC2=COC3=CC=CC=C23)C=C(C(=O)[O-])S1	REAL300018536456	0	42	0.0	-65.79	350.09	10.33	-55.46
CC1=C(C[NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C=C(C(=O)[O-])S1	REAL300018536457	0	38	0.0	-87.71	343.80	3.60	-84.11
CC1=C(C[NH2+]CC2=CC3=CC=C(C)C=C3N2)C=C(C(=O)[O-])S1	REAL300018536458	0	40	0.0	-79.12	342.81	9.26	-69.86
CC1=C(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)C=C(C(=O)[O-])S1	REAL300018536460	0	37	0.0	-77.76	333.02	8.37	-69.39
CC1=C(C[NH2+]CC2=C(C)C([N+](=O)[O-])=CC=C2C)C=C(C(=O)[O-])S1	REAL300018536461	0	41	0.0	-83.51	348.01	10.30	-73.21
CC1=C(C[NH2+]C2CCCCC(C3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300018536462	0	49	0.0	-72.84	377.34	11.93	-60.91
CC1=C(C[NH2+]CC2=CC3=CC=CN=C3O2)C=C(C(=O)[O-])S1	REAL300018536463	0	35	0.0	-79.19	311.41	6.12	-73.07
CC1=C(C[NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536464	0	49	0.0	-76.60	405.81	13.37	-63.23
CC1=C(C[NH2+]C2CCCC2C2=CC=C(Cl)C=C2)C=C(C(=O)[O-])S1	REAL300018536465	0	43	0.0	-72.88	363.87	11.46	-61.42
CC1=C(C[NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536466	0	42	0.0	-83.94	358.49	12.11	-71.83
CC1=C(C[NH2+]C2CCCC(C(C)(C)C)CC2)C=C(C(=O)[O-])S1	REAL300018536467	0	51	0.0	-69.47	368.11	10.52	-58.95
CC1=C(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536468	0	36	0.0	-78.68	323.06	9.24	-69.44
CC1=C(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536469	0	40	0.0	-81.83	353.16	9.18	-72.65
CC1=C(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C=C(C(=O)[O-])S1	REAL300018536470	0	40	0.0	-80.90	352.65	6.95	-73.95
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(Br)=C1	REAL300018536471	0	37	0.0	-73.31	334.53	8.48	-64.83
COCC1=CC=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536472	0	40	0.0	-75.53	344.63	8.38	-67.15
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536473	0	43	0.0	-81.99	384.00	10.96	-71.03
CC1=C(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536475	0	44	0.0	-79.88	389.39	12.75	-67.13
CC1=C(C[NH2+]CC2=C(OC(F)F)C=C(C)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536476	0	43	0.0	-74.52	365.73	9.51	-65.01
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536477	0	50	0.0	-70.68	385.87	9.40	-61.28
COC1=CC(C)=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OC	REAL300018536478	0	44	0.0	-78.65	362.85	8.39	-70.26
CC1=C(C[NH2+]CC2=CC=CC=C2C2CC2)C=C(C(=O)[O-])S1	REAL300018536479	0	40	0.0	-72.62	332.55	10.66	-61.96
CC1=C(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])C=C(C(=O)[O-])S1	REAL300018536480	1	35	0.0	-80.66	347.79	10.55	-70.11
CC1=C(Br)C=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)S1	REAL300018536481	0	33	0.0	-74.01	321.38	9.14	-64.87
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1COC1=CC=CC=C1	REAL300018536482	0	51	0.0	-78.02	427.51	11.38	-66.64
CC1=C(C[NH2+]CCC2=CC=C(F)C=C2F)C=C(C(=O)[O-])S1	REAL300018536483	0	36	0.0	-75.04	322.13	9.52	-65.52
CC1=C(C[NH2+]CCC2=CC(C)=CC(C)=C2)C=C(C(=O)[O-])S1	REAL300018536484	0	42	0.0	-73.63	353.12	10.74	-62.89
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536485	0	40	0.0	-72.79	362.57	9.05	-63.74
CC1=C(C[NH2+]C2CCCCC2C2=CC=CC=C2Cl)C=C(C(=O)[O-])S1	REAL300018536486	0	46	0.0	-67.12	377.41	11.87	-55.25
COC1=CC=C(CC(C)[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C)=C1OC	REAL300018536487	0	50	0.0	-76.49	398.59	9.69	-66.80
COC1=CC=C(N2C=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C=N2)C=C1	REAL300018536488	0	44	0.0	-83.14	377.08	9.16	-73.98
CC1=C(C[NH2+]C(C)CCC2=CSC=C2)C=C(C(=O)[O-])S1	REAL300018536489	0	39	0.0	-70.93	335.71	9.71	-61.22
COCCC1=CC=C(OCC(C)[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536490	0	50	0.0	-75.05	410.50	9.39	-65.66
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536491	0	42	0.0	-74.53	362.64	11.22	-63.31
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536492	0	43	0.0	-82.84	380.11	11.08	-71.76
CC1=C(C[NH2+]CC2=CC=C(N(C)CC3=CC=CS3)C=C2)C=C(C(=O)[O-])S1	REAL300018536493	0	48	0.0	-73.90	409.02	12.01	-61.89
CC1=C(C[NH2+]CC2=C(F)C=NC=C2Br)C=C(C(=O)[O-])S1	REAL300018536494	1	32	0.0	-69.48	307.50	7.39	-62.09
CC1=C(C[NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C=C(C(=O)[O-])S1	REAL300018536495	0	46	0.0	-71.56	370.79	12.02	-59.54
CC1=C(C[NH2+]C2CCCC2C2=CC=C(C(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536496	0	46	0.0	-75.04	385.80	11.93	-63.11
CC1=C(C[NH2+]CC2=CNN=C2C2=CSC=C2)C=C(C(=O)[O-])S1	REAL300018536497	0	37	0.0	-79.19	335.70	7.50	-71.69
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C=C(C(=O)[O-])S1	REAL300018536498	0	39	0.0	-82.01	345.74	6.90	-75.11
CC1=C(C[NH2+]CC2=CN=C3C(=C2)C=NN3C)C=C(C(=O)[O-])S1	REAL300018536499	0	38	0.0	-87.02	333.10	7.77	-79.25
CC1=C(C[NH2+]C(C)CCC2=CC=C(F)C=C2F)C=C(C(=O)[O-])S1	REAL300018536500	0	42	0.0	-74.50	357.60	10.89	-63.61
CC1=C(C[NH2+]CC2=C(Cl)C=CC=C2SC(C)C)C=C(C(=O)[O-])S1	REAL300018536501	0	43	0.0	-62.89	377.85	11.34	-51.55
CSC1=CC(Br)=CC=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536502	0	37	0.0	-73.27	345.77	10.19	-63.08
CC1=C(C[NH2+]CC(C)(C)CN(C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536503	0	53	0.0	-72.05	410.58	10.74	-61.31
CC1=C(CNCC(C)(C)C[N@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536503	1	53	0.0	-74.49	406.33	11.37	-63.12
CC1=C(CNCC(C)(C)C[N@@H+](C)CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536503	1	53	0.0	-76.41	407.34	11.45	-64.96
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536504	0	45	0.0	-74.27	370.04	11.31	-62.96
COCC(CC1CCOCC1)[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536505	0	47	0.0	-68.99	367.06	6.85	-62.14
CC1=C(C[NH2+]C2CCCC2C2=CC=CC=C2Cl)C=C(C(=O)[O-])S1	REAL300018536506	0	43	0.0	-69.65	361.39	11.36	-58.29
CC1=C(C[NH2+]CC2=CN=C(N3CCN(C)CC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536507	0	48	0.0	-82.58	392.13	6.93	-75.65
CC1=C(C[NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C=C(C(=O)[O-])S1	REAL300018536508	0	44	0.0	-74.21	377.93	12.13	-62.08
CC1=C(C[NH2+]CC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)C=C(C(=O)[O-])S1	REAL300018536509	1	46	0.0	-77.66	380.38	10.23	-67.43
CC1=C(C[NH2+]CC2=NC3=CC(C(F)(F)F)=CC=C3N2C)C=C(C(=O)[O-])S1	REAL300018536510	1	42	0.0	-87.11	374.92	10.00	-77.11
CC1=C(C[NH2+]C2CCCC2C2=CC=CC(C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536511	0	46	0.0	-75.29	380.38	12.37	-62.92
CC1=C(C[NH2+]CC2=NC3=C(CC(C)CC3)S2)C=C(C(=O)[O-])S1	REAL300018536512	1	42	0.0	-72.85	358.08	9.00	-63.85
CC1=C(C[NH2+]CC2=CC=CC=C2N2CCCCC2)C=C(C(=O)[O-])S1	REAL300018536513	0	48	0.0	-69.65	383.38	10.71	-58.94
CC1=C(C[NH2+]C2CCC3COCCC3C2)C=C(C(=O)[O-])S1	REAL300018536514	0	44	0.0	-69.37	329.65	8.00	-61.37
CC1=C(C[NH2+]C2CC3(C2)COC(C)(C)C3)C=C(C(=O)[O-])S1	REAL300018536515	0	44	0.0	-73.66	352.61	8.20	-65.46
CC1=C(C[NH2+]C2CCOC3=CC=CC=C3C2)C=C(C(=O)[O-])S1	REAL300018536516	0	41	0.0	-73.29	333.38	8.89	-64.40
CC1=C(C[NH2+]C2CCCC3=C(C=CS3)C2)C=C(C(=O)[O-])S1	REAL300018536517	0	40	0.0	-72.29	332.61	9.83	-62.46
CC1=C(C[NH2+]CC2=C3C(=CC=C2)N=CN3C)C=C(C(=O)[O-])S1	REAL300018536518	0	39	0.0	-80.91	327.17	9.91	-71.00
COC1=CC=C(C)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536519	0	40	0.0	-72.49	333.08	8.56	-63.93
CC1=C(C[NH2+]CC2=CC=C(C)C(C)=C2C)C=C(C(=O)[O-])S1	REAL300018536522	0	42	0.0	-71.58	338.32	10.37	-61.21
CC1=C(C[NH2+]CC2=CC=CC=C2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300018536523	0	45	0.0	-66.96	343.12	10.99	-55.97
CC1=C(C[NH2+]CC2=CN=C3CCCCCN23)C=C(C(=O)[O-])S1	REAL300018536524	0	43	0.0	-80.42	345.63	9.05	-71.37
COC1=CC=C2SC(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)=CC2=C1	REAL300018536525	0	40	0.0	-76.45	356.49	9.49	-66.96
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NO2)C=C(C(=O)[O-])S1	REAL300018536526	0	39	0.0	-82.57	344.53	9.82	-72.75
CCN1CCC2=CC(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)=CC=C21	REAL300018536527	0	45	0.0	-74.96	361.24	8.77	-66.19
CC1=C(C[NH2+]C2CCC3(COC(C)(C)C3)CC2)C=C(C(=O)[O-])S1	REAL300018536528	0	50	0.0	-73.87	376.18	8.97	-64.90
CSC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1Cl	REAL300018536529	0	37	0.0	-81.60	344.79	10.12	-71.48
CC1=C(C[NH2+]CC2=CC=C(C3CC3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536530	0	43	0.0	-73.82	356.60	11.27	-62.55
COC1=CC=CC2=C1CCCC([NH2+]CC1=C(C)SC(C(=O)[O-])=C1)C2	REAL300018536531	0	47	0.0	-73.00	368.02	10.03	-62.97
CCOC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=N1	REAL300018536532	0	39	0.0	-79.26	338.51	6.30	-72.96
CC1=C(C[NH2+]CC2=CC=C(C)C(C3CC3)=C2)C=C(C(=O)[O-])S1	REAL300018536533	0	43	0.0	-73.39	355.20	11.27	-62.12
CC1=NN(C2=CC=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C(C)=C2)C=C1	REAL300018536534	0	46	0.0	-83.65	384.48	10.97	-72.68
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536535	0	39	0.0	-80.76	359.99	10.51	-70.25
CC1=C(C[NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C=C(C(=O)[O-])S1	REAL300018536536	0	43	0.0	-82.17	379.13	10.96	-71.21
CC1=NN(C2=CC=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C=C2)C=C1Cl	REAL300018536537	0	43	0.0	-83.53	385.68	10.93	-72.60
CC1=C(C[NH2+]CC2=CN=C(C3CCOCC3)O2)C=C(C(=O)[O-])S1	REAL300018536538	1	43	0.0	-78.60	361.04	5.11	-73.49
CC1=C(C[NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C=C(C(=O)[O-])S1	REAL300018536539	0	44	0.0	-78.22	362.19	9.74	-68.48
CC1=C(C[NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536540	0	40	0.0	-73.22	348.90	8.98	-64.24
CC1=C(C[NH2+]CC2=CC(C(C)C)=CC=C2O)C=C(C(=O)[O-])S1	REAL300018536541	0	43	0.0	-72.10	356.66	7.95	-64.15
CC1=C(C[NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C=C(C(=O)[O-])S1	REAL300018536542	0	36	0.0	-86.07	327.27	6.61	-79.46
CC1=C(C[NH2+]CC2=NC(C3CC3)=CS2)C=C(C(=O)[O-])S1	REAL300018536543	1	36	0.0	-74.20	324.40	7.86	-66.34
CC1=C(C[NH2+]CC2=CN(CC3CC3)N=N2)C=C(C(=O)[O-])S1	REAL300018536544	1	39	0.0	-75.86	338.32	7.54	-68.32
CC1=C(C[NH2+]CC2=CC=C3CCOC3=C2)C=C(C(=O)[O-])S1	REAL300018536545	0	38	0.0	-77.16	324.65	8.48	-68.68
CC1=C(C[NH2+]CC2=NC3=C(CCCC3)N2)C=C(C(=O)[O-])S1	REAL300018536546	1	40	0.0	-73.94	332.51	7.73	-66.21
CC1=C(C[NH2+]CC2=CC=C3COCCC3=C2)C=C(C(=O)[O-])S1	REAL300018536547	0	41	0.0	-76.18	342.47	8.73	-67.45
CC1=C(C[NH2+]CC2=CC=CC=C2C2CCC2)C=C(C(=O)[O-])S1	REAL300018536548	0	43	0.0	-72.32	348.20	11.11	-61.21
CC1=C(C[NH2+]CC2=CN(C)N=C2C2CCOCC2)C=C(C(=O)[O-])S1	REAL300018536549	0	47	0.0	-81.19	386.56	7.79	-73.40
CC1=C(C[NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C=C(C(=O)[O-])S1	REAL300018536550	0	41	0.0	-82.68	353.85	8.50	-74.18
CC1=C(C[NH2+]C2CC(COCC3=CC=CC=C3)C2)C=C(C(=O)[O-])S1	REAL300018536551	0	47	0.0	-73.63	390.83	10.57	-63.06
CSC1=CC=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536552	0	37	0.0	-76.24	329.78	9.67	-66.57
CC1=C(C[NH2+]CC2=CC=NN2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300018536553	0	42	0.0	-75.14	331.87	8.14	-67.00
CC1=C(C[NH2+]C2CCC3=CC(Cl)=CC=C3C2)C=C(C(=O)[O-])S1	REAL300018536554	0	40	0.0	-76.16	342.83	10.70	-65.46
CC1=C(C[NH2+]CC2=C(C(C)C)C=NN2C)C=C(C(=O)[O-])S1	REAL300018536555	0	42	0.0	-79.11	350.95	8.13	-70.98
CC1=C(C[NH2+]C2CC(C3=CC=CC=C3Br)C2)C=C(C(=O)[O-])S1	REAL300018536556	0	40	0.0	-74.46	349.37	10.95	-63.51
CCC([NH2+]CC1=C(C)SC(C(=O)[O-])=C1)C(C)CC1=CC=CC=C1	REAL300018536557	0	48	0.0	-67.92	368.87	11.49	-56.43
CC1=C(C[NH2+]CC2=CC=C(CC3CC3)S2)C=C(C(=O)[O-])S1	REAL300018536558	0	40	0.0	-71.22	354.75	10.90	-60.32
CC1=C(C[NH2+]CC2=CC=C(OC3CC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536559	0	41	0.0	-76.45	349.31	9.62	-66.83
CC1=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C=C(C(=O)[O-])S1	REAL300018536560	0	37	0.0	-79.98	340.32	8.46	-71.52
CC1=C(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536561	0	39	0.0	-80.67	360.76	10.53	-70.14
CC1=NC=CN1C1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300018536562	0	46	0.0	-83.68	383.95	11.67	-72.01
CC1=C(C)N(C2=CC=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C=C2)C=N1	REAL300018536563	0	46	0.0	-84.92	386.49	12.25	-72.67
CC1=C(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C=C(C(=O)[O-])S1	REAL300018536564	0	47	0.0	-73.98	383.74	12.67	-61.31
CC1=C(C[NH2+]CC2=C(C)C3=CC(F)=CC=C3O2)C=C(C(=O)[O-])S1	REAL300018536566	0	39	0.0	-78.17	344.25	9.88	-68.29
CC1=C(C[NH2+]C(C)CC2=CC=C(Cl)C=C2F)C=C(C(=O)[O-])S1	REAL300018536567	0	39	0.0	-73.10	346.31	10.52	-62.58
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2C)C=C(C(=O)[O-])S1	REAL300018536568	0	43	0.0	-84.26	369.63	9.78	-74.48
CC1=C(C[NH2+]CC2=CN=CC(C(C)(C)C)=C2)C=C(C(=O)[O-])S1	REAL300018536569	0	44	0.0	-76.57	360.16	9.14	-67.43
CC1=C(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)C=C(C(=O)[O-])S1	REAL300018536570	0	36	0.0	-74.63	346.62	10.76	-63.87
CC1=C(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536571	1	36	0.0	-73.81	331.05	7.72	-66.09
CC1=C(C[NH2+]CC2=NC3=C(CCCC3)N2C)C=C(C(=O)[O-])S1	REAL300018536572	1	43	0.0	-78.48	351.50	9.32	-69.16
CC1=C(C[NH2+]CC2=CN(C)N=C2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300018536573	0	36	0.0	-80.72	325.52	7.43	-73.29
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3C=N2)C=C(C(=O)[O-])S1	REAL300018536574	0	38	0.0	-70.68	329.92	9.07	-61.61
COC1=NC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1C	REAL300018536575	0	39	0.0	-72.59	336.07	6.04	-66.55
CC1=C(C[NH2+]CC2=CC=CC(C(F)F)=C2F)C=C(C(=O)[O-])S1	REAL300018536576	0	36	0.0	-79.58	327.39	9.57	-70.01
CC1=C(C[NH2+]CC2=CC=CC3=C2COCC3)C=C(C(=O)[O-])S1	REAL300018536577	0	41	0.0	-75.43	335.49	8.64	-66.79
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536578	0	40	0.0	-70.59	355.52	9.45	-61.14
CC1=C(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C=C(C(=O)[O-])S1	REAL300018536579	0	40	0.0	-73.25	352.24	8.59	-64.66
CC1=C(C[NH2+]CC2=CC3=C(CCCC3)O2)C=C(C(=O)[O-])S1	REAL300018536580	0	40	0.0	-72.07	333.05	9.48	-62.59
CCC(C)N1N=CC=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536581	0	42	0.0	-80.39	350.89	8.43	-71.96
CC1=C(C[NH2+]CC2=CN(C3CCCCC3)N=C2)C=C(C(=O)[O-])S1	REAL300018536582	0	46	0.0	-74.99	373.41	9.70	-65.29
COC1=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=CC=C1C(C)(C)C	REAL300018536583	0	49	0.0	-71.67	382.44	10.38	-61.29
CC1=C(C[NH2+]CC2=NC(Br)=CN2C)C=C(C(=O)[O-])S1	REAL300018536584	1	33	0.0	-82.76	310.14	7.50	-75.26
COC1=CC(C)=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=N1	REAL300018536585	0	39	0.0	-78.38	331.04	5.97	-72.41
CC1=C(C[NH2+]CC2=NC3=CC=CC=C3S2)C=C(C(=O)[O-])S1	REAL300018536586	1	35	0.0	-75.55	320.45	8.10	-67.45
COC1=CC=CC(C2CC([NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C2)=C1	REAL300018536587	0	44	0.0	-74.23	361.11	9.73	-64.50
CC1=NOC(C2CC([NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C2)=N1	REAL300018536588	0	38	0.0	-76.78	326.15	6.05	-70.73
CC1=C(C[NH2+]C2CC(C3CCOCC3)C2)C=C(C(=O)[O-])S1	REAL300018536589	0	44	0.0	-72.41	350.09	8.38	-64.03
CC1=C(C[NH2+]CC2=C(C)C=C(C)C(Br)=C2C)C=C(C(=O)[O-])S1	REAL300018536590	0	42	0.0	-76.04	359.02	10.81	-65.23
CC1=C(C[NH2+]CC=CC2=CC=C3OCOC3=C2)C=C(C(=O)[O-])S1	REAL300018536591	0	40	0.0	-81.78	345.87	8.60	-73.18
CC1=C(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536592	0	46	0.0	-72.76	379.83	12.16	-60.60
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536593	0	43	0.0	-81.49	384.98	9.42	-72.07
COC1=CC=C(CC(C)[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300018536594	0	46	0.0	-73.46	369.04	9.72	-63.74
CCC1=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=NN1CC	REAL300018536595	0	42	0.0	-72.66	343.01	8.40	-64.26
CC1=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C(F)(F)F)=CO1	REAL300018536596	0	36	0.0	-68.70	328.91	8.44	-60.26
CC1=C(C[NH2+]CC2=CC=CC(C(C)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536597	0	39	0.0	-78.99	342.78	10.18	-68.81
CC1=C(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536598	0	39	0.0	-81.24	351.73	9.41	-71.83
CC1=C(C[NH2+]CC2=CNN=C2C2=CN(C)N=C2)C=C(C(=O)[O-])S1	REAL300018536599	0	40	0.0	-74.30	350.03	6.36	-67.94
COC1=CC=C(CCC(C)[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C)=C1	REAL300018536600	0	49	0.0	-74.35	390.59	10.55	-63.80
CC1=C(C[NH2+]C2CC3CCCCCC3C2)C=C(C(=O)[O-])S1	REAL300018536601	0	46	0.0	-70.54	343.31	10.27	-60.27
CC1=C(C[NH2+]C2CCC(C)C3=CC=CC=C3C2)C=C(C(=O)[O-])S1	REAL300018536602	0	46	0.0	-70.93	356.63	11.08	-59.85
CC1=C(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536603	0	40	0.0	-76.23	354.36	11.06	-65.17
CCOC1=CC(CCC(C)[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1O	REAL300018536604	0	50	0.0	-78.44	407.88	8.82	-69.62
CC1=C(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C=C(C(=O)[O-])S1	REAL300018536605	0	39	0.0	-79.25	346.48	11.27	-67.98
COC1=C(C)C(C)=C(OC)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536606	0	50	0.0	-72.08	401.03	9.28	-62.80
CC1=C(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)C=C(C(=O)[O-])S1	REAL300018536607	0	50	0.0	-69.03	398.32	11.48	-57.55
CC1=C(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536608	0	44	0.0	-79.23	394.19	12.00	-67.23
C=CCC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536609	0	40	0.0	-72.77	335.89	10.51	-62.26
CC1=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C(C(=O)[O-])S1	REAL300018536610	0	53	0.0	-74.75	418.95	12.16	-62.59
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)C=C2)=C1	REAL300018536611	0	48	0.0	-82.15	407.00	10.79	-71.36
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536612	0	48	0.0	-79.08	408.06	11.42	-67.66
COCC1=CC=CC=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536613	0	40	0.0	-75.27	335.20	8.49	-66.78
CC1=C(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)C=C(C(=O)[O-])S1	REAL300018536614	0	46	0.0	-78.63	397.87	13.36	-65.27
CC1=C(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536615	0	37	0.0	-80.37	345.97	10.11	-70.26
CC1=C(C[NH2+]CC2=CC=C3CCOCC3=C2)C=C(C(=O)[O-])S1	REAL300018536616	0	41	0.0	-76.14	342.47	8.73	-67.41
CC1=C(C[NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C=C(C(=O)[O-])S1	REAL300018536617	0	39	0.0	-75.57	350.11	10.79	-64.78
CC1=C(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C=C(C(=O)[O-])S1	REAL300018536618	0	39	0.0	-87.09	344.18	6.83	-80.26
COC1=CC=C(F)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1OC	REAL300018536619	1	41	0.0	-68.29	355.08	7.99	-60.30
CCN1C=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300018536620	0	43	0.0	-78.47	365.92	9.51	-68.96
COC1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1OCCO	REAL300018536621	0	45	0.0	-83.87	381.54	5.69	-78.18
CC1=C(C[NH2+]CC2=CN(C)N=C2C2=CC=NN2C)C=C(C(=O)[O-])S1	REAL300018536622	0	43	0.0	-82.77	374.29	7.56	-75.21
CC1=C(C[NH2+]CC2=CON=C2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300018536623	0	41	0.0	-78.93	333.08	8.42	-70.51
CC1=C(C[NH2+]CC2=CC3=CN=CC=C3C=C2)C=C(C(=O)[O-])S1	REAL300018536624	0	38	0.0	-82.35	330.56	9.14	-73.21
COC1=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=CC=C1OCC1CCCO1	REAL300018536625	0	52	0.0	-82.82	427.25	9.29	-73.53
CC1=CC2=CC=CC(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)=C2O1	REAL300018536626	0	39	0.0	-74.20	338.02	9.79	-64.41
CC1=C(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)C=C(C(=O)[O-])S1	REAL300018536627	0	36	0.0	-75.79	322.64	9.75	-66.04
CC1=C(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)C=C(C(=O)[O-])S1	REAL300018536628	1	40	0.0	-68.68	363.68	9.42	-59.26
CC1=C(C[NH2+]CC2=CON=C2C2CCC2)C=C(C(=O)[O-])S1	REAL300018536629	0	39	0.0	-81.26	333.47	8.72	-72.54
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C=C(C(=O)[O-])S1	REAL300018536630	0	36	0.0	-80.56	333.08	9.68	-70.88
CC1=C(C[NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C=C(C(=O)[O-])S1	REAL300018536631	0	43	0.0	-83.22	365.07	9.58	-73.64
CC1=NN(C2CCCC2)C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1	REAL300018536632	0	46	0.0	-81.78	377.64	9.74	-72.04
CC1=C(C[NH2+]CC2=CC=NN2CC(F)F)C=C(C(=O)[O-])S1	REAL300018536633	0	36	0.0	-83.66	319.19	7.42	-76.24
CC1=C(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C=C(C(=O)[O-])S1	REAL300018536635	0	40	0.0	-80.22	354.81	9.94	-70.28
CC1=C(C[NH2+]CC2=NN(C3CCC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536636	1	40	0.0	-69.70	336.98	8.33	-61.37
CC1=C(C[NH2+]CC2=NN(CC(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536637	1	36	0.0	-73.58	326.16	7.51	-66.07
CC1=C(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)C=C(C(=O)[O-])S1	REAL300018536638	1	37	0.0	-75.01	335.47	8.10	-66.91
CC1=C(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)C=C(C(=O)[O-])S1	REAL300018536639	0	38	0.0	-70.68	349.85	9.77	-60.91
CC1=C(C[NH2+]CC2=NN(C3CCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536640	1	43	0.0	-69.83	355.35	9.01	-60.82
CC1=C(C[NH2+]CC2=C3OC=CC3=C(F)C=C2)C=C(C(=O)[O-])S1	REAL300018536641	0	36	0.0	-79.90	322.55	9.04	-70.86
CC1=C(C[NH2+]CC2=C3OC=CC3=CC(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536642	0	36	0.0	-75.04	332.87	9.47	-65.57
COC1=CC=CC(CN2CCC([NH2+]CC3=C(C)SC(C(=O)[O-])=C3)CC2)=C1	REAL300018536643	0	52	0.0	-74.10	410.34	8.33	-65.77
COC1=CC=C2SC(C[NH2+]CC3=C(C)SC(C(=O)[O-])=C3)=NC2=C1	REAL300018536644	1	39	0.0	-78.53	349.97	7.38	-71.15
CC1=C(C[NH2+]CC2=CN=C3C=C(Br)C=CN23)C=C(C(=O)[O-])S1	REAL300018536645	0	36	0.0	-85.68	336.92	9.70	-75.98
CC1=C(C[NH2+]CC2=C(C)C=C(Br)C=C2C)C=C(C(=O)[O-])S1	REAL300018536646	0	39	0.0	-76.26	344.07	10.28	-65.98
CC1=C(C[NH2+]CC2=NN(C)C(C3=CC=CO3)=C2)C=C(C(=O)[O-])S1	REAL300018536647	1	40	0.0	-74.36	350.39	7.97	-66.39
CC1=C(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)C=C(C(=O)[O-])S1	REAL300018536648	1	36	0.0	-67.28	328.86	7.71	-59.57
CC1=C(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)C=C(C(=O)[O-])S1	REAL300018536649	0	49	0.0	-72.90	390.62	12.45	-60.45
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536650	0	43	0.0	-77.95	357.31	9.03	-68.92
COC1=CC=CC=C1C=CC[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536651	0	41	0.0	-74.92	348.18	9.30	-65.62
CC1=C(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C=C(C(=O)[O-])S1	REAL300018536652	0	41	0.0	-82.24	357.95	8.99	-73.25
CC1=C(C[NH2+]CC2=CC(C3=CC=CO3)=NN2C)C=C(C(=O)[O-])S1	REAL300018536653	0	40	0.0	-86.29	352.86	7.91	-78.38
CC1=C(C[NH2+]C2CCCN(C(C)(C)C)C2)C=C(C(=O)[O-])S1	REAL300018536654	0	47	0.0	-67.77	351.98	7.16	-60.61
CC1=C(CNC2CCC[N@@H+](C(C)(C)C)C2)C=C(C(=O)[O-])S1	REAL300018536654	1	47	0.0	-66.56	355.33	8.03	-58.53
CC1=C(CNC2CCC[N@H+](C(C)(C)C)C2)C=C(C(=O)[O-])S1	REAL300018536654	1	47	0.0	-64.40	350.53	8.62	-55.78
CC1=C(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536655	0	46	0.0	-74.29	391.56	13.11	-61.18
CC1=C(C[NH2+]C2CC(C3=CC=C(OC(F)(F)F)C=C3)C2)C=C(C(=O)[O-])S1	REAL300018536656	0	44	0.0	-76.72	378.48	10.21	-66.51
CC1=C(C[NH2+]CC2=CC(C3=CC=CC=C3)=CC=N2)C=C(C(=O)[O-])S1	REAL300018536657	0	42	0.0	-72.22	358.35	10.25	-61.97
CC1=C(C[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)(C)C)C=C(C(=O)[O-])S1	REAL300018536658	0	54	0.0	-75.42	418.86	10.86	-64.56
CC1=C(C[NH2+]C2CCC(C3=CC=C(C)C=C3)CC2)C=C(C(=O)[O-])S1	REAL300018536659	0	49	0.0	-72.66	386.32	12.15	-60.51
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536660	1	44	0.0	-63.85	366.48	8.02	-55.83
CC1=C(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C=C(C(=O)[O-])S1	REAL300018536661	0	37	0.0	-83.20	351.59	9.00	-74.20
CC1=C(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)C=C(C(=O)[O-])S1	REAL300018536662	0	43	0.0	-79.68	378.14	11.48	-68.20
CC1=C(C[NH2+]CC2=CC=C3SC=CC3=C2)C=C(C(=O)[O-])S1	REAL300018536663	0	36	0.0	-78.53	325.69	10.02	-68.51
CC1=C(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536664	0	42	0.0	-79.67	358.18	10.31	-69.36
CC1=C(C[NH2+]CC2=C(C(F)(F)F)C(C)=CC=C2)C=C(C(=O)[O-])S1	REAL300018536665	0	39	0.0	-70.81	333.64	10.26	-60.55
CC1=C(C[NH2+]CC2=CC3=NNC=C3C=C2)C=C(C(=O)[O-])S1	REAL300018536666	0	36	0.0	-80.28	315.01	7.36	-72.92
CCC(C)C1=CC=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=C1	REAL300018536667	0	45	0.0	-72.80	367.43	11.24	-61.56
CC1=C(C[NH2+]C2CCC3(C2)CCOCC3)C=C(C(=O)[O-])S1	REAL300018536668	0	44	0.0	-72.28	338.87	7.87	-64.41
CC1=C(C[NH2+]CC2=NC=C(CC3=CC=CC=C3)N2C)C=C(C(=O)[O-])S1	REAL300018536669	1	46	0.0	-74.38	388.25	11.17	-63.21
CC1=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C(C(=O)[O-])S1	REAL300018536670	0	43	0.0	-72.89	344.16	11.00	-61.89
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536671	0	40	0.0	-78.45	349.26	10.55	-67.90
COC1=C(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)C=CC(Br)=C1F	REAL300018536672	0	37	0.0	-82.08	346.13	8.81	-73.27
CC1=C(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)C=C(C(=O)[O-])S1	REAL300018536673	0	39	0.0	-89.81	341.13	8.56	-81.25
CC1=C(C[NH2+]CC2=C(C)C3=CC=CC=C3C=C2)C=C(C(=O)[O-])S1	REAL300018536674	0	42	0.0	-74.89	345.77	11.39	-63.50
CC1=C(C[NH2+]CC2=CN(C(C)(C)C)N=C2C(C)C)C=C(C(=O)[O-])S1	REAL300018536675	0	51	0.0	-77.04	414.76	10.31	-66.73
CC1=C(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)C=C(C(=O)[O-])S1	REAL300018536676	0	39	0.0	-78.40	353.31	11.42	-66.98
COC1=C2C=CNC2=CC=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536677	0	41	0.0	-74.61	349.66	8.06	-66.55
CC1=C(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)C=C(C(=O)[O-])S1	REAL300018536678	0	46	0.0	-75.47	376.37	5.65	-69.82
CCCN1N=CC(C[NH2+]CC2=C(C)SC(C(=O)[O-])=C2)=C1C	REAL300018536679	0	42	0.0	-74.31	351.67	8.54	-65.77
CC1=C(C[NH2+]CC2=CN=C(N3C=CC=N3)C(C)=C2)C=C(C(=O)[O-])S1	REAL300018536680	0	42	0.0	-84.91	360.89	9.98	-74.93
CC1=C(C[NH2+]C2CCC2CC2=CC=CC=C2)C=C(C(=O)[O-])S1	REAL300018536681	0	43	0.0	-71.91	353.86	11.61	-60.30
CCCN1N=C(C)C=C1C[NH2+]CC1=C(C)SC(C(=O)[O-])=C1	REAL300018536682	0	42	0.0	-78.76	348.76	8.44	-70.32
CC1=C(C[NH2+]CC2=CN(C)N=C2C2CCC2)C=C(C(=O)[O-])S1	REAL300018536683	0	43	0.0	-78.47	360.75	9.08	-69.39
CC1=C(C[NH2+]CC2=CN=C(C(C)(C)C)O2)C=C(C(=O)[O-])S1	REAL300018536684	1	41	0.0	-75.95	347.96	6.14	-69.81
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC[C@H]2C[C@H](F)C2)O1	REAL300018536685	0	43	0.0	-66.95	353.84	11.25	-55.70
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CC[C@H]2C[C@H](F)C2)C=C1	REAL300018536686	0	50	0.0	-74.63	407.63	12.11	-62.52
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC[C@H]3C[C@H](F)C3)O2)C=C1	REAL300018536687	0	43	0.0	-84.12	357.59	10.59	-73.53
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC[C@H]3C[C@H](F)C3)O2)C=C1	REAL300018536688	0	43	0.0	-84.12	357.59	10.59	-73.53
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC[C@H]1C[C@H](F)C1	REAL300018536689	0	43	0.0	-54.81	352.43	9.97	-44.84
CC1=CC(C[NH2+]CC[C@H]2C[C@H](F)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018536690	0	46	0.0	-84.14	372.80	10.56	-73.58
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC[C@H]2C[C@H](F)C2)C=C1	REAL300018536691	0	43	0.0	-79.85	356.23	8.74	-71.11
O=C([O-])C1=CC=C(C[NH2+]CC[C@H]2C[C@H](F)C2)C(C(F)(F)F)=C1	REAL300018536692	0	39	0.0	-78.86	326.09	9.79	-69.07
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CC[C@H]2C[C@H](F)C2)=C1	REAL300018536693	0	43	0.0	-57.87	370.60	10.38	-47.49
O=C([O-])C1=CC=C(C[NH2+]CC[C@H]2C[C@H](F)C2)C=C1Br	REAL300018536694	0	36	0.0	-80.29	313.96	9.23	-71.06
O=C([O-])CN1C=C(C[NH2+]CC[C@H]2C[C@H](F)C2)C(C2=CC=CC=C2)=N1	REAL300018536695	0	46	0.0	-72.00	376.98	10.31	-61.69
O=C([O-])C1=CC2=C(SC(C[NH2+]CC[C@H]3C[C@H](F)C3)=C2)S1	REAL300018536696	0	36	0.0	-83.24	325.89	9.43	-73.81
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC[C@H]1C[C@H](F)C1)C(=O)[O-]	REAL300018536697	0	43	0.0	-51.00	361.90	10.16	-40.84
O=C([O-])C1=CN2C(C[NH2+]CC[C@H]3C[C@H](F)C3)=CN=C2C(Br)=C1	REAL300018536698	0	39	0.0	-67.11	345.80	9.72	-57.39
O=C([O-])C1=CC=CC(C[NH2+]CC[C@H]2C[C@H](F)C2)=C1Br	REAL300018536699	0	36	0.0	-68.69	308.88	9.16	-59.53
O=C([O-])C1=CC(C[NH2+]CC[C@H]2C[C@H](F)C2)=CC(C(F)(F)F)=C1	REAL300018536700	0	39	0.0	-73.36	336.37	9.72	-63.64
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]CC[C@H]3C[C@H](F)C3)=CN=C12	REAL300018536701	0	39	0.0	-89.89	345.89	9.93	-79.96
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]CC[C@H]2C[C@H](F)C2)C1	REAL300018536702	0	43	0.0	-58.19	362.72	10.97	-47.22
O=C([O-])C1=CC(Br)=CC(C[NH2+]CC[C@H]2C[C@H](F)C2)=C1	REAL300018536703	0	36	0.0	-72.28	318.94	9.34	-62.94
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=C1	REAL300018536704	0	42	0.0	-92.85	346.62	10.21	-82.64
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536705	0	49	0.0	-74.20	402.95	12.71	-61.49
CC1=C(C(=O)[O-])C=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536706	0	42	0.0	-79.45	348.92	9.27	-70.18
O=C([O-])C1=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=CO1	REAL300018536707	0	39	0.0	-53.86	325.19	8.55	-45.31
O=C([O-])C1=COC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536708	0	39	0.0	-79.10	330.30	8.50	-70.60
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536710	0	39	0.0	-80.80	330.05	8.75	-72.05
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536711	0	39	0.0	-80.80	330.05	8.75	-72.05
CC(C)(CC[NH+]1CCC(N2C=C([N+](=O)[O-])C=N2)CC1)C(=O)[O-]	REAL300018536712	0	44	0.0	-73.47	342.64	9.06	-64.41
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCC(N4C=C([N+](=O)[O-])C=N4)CC3)O2)C=C1	REAL300018536713	0	49	0.0	-94.55	407.16	12.10	-82.45
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCC(N4C=C([N+](=O)[O-])C=N4)CC3)O2)C=C1	REAL300018536714	0	49	0.0	-94.55	407.16	12.10	-82.45
O=C([O-])C1=CC=CC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536715	0	42	0.0	-81.54	346.62	10.21	-71.33
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH+]1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300018536716	0	49	0.0	-64.68	403.59	11.42	-53.26
O=C([O-])C1=NNC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536717	1	39	0.0	-88.38	328.73	6.59	-81.79
CC1=CC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018536718	0	52	0.0	-93.70	421.78	12.04	-81.66
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH+]1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300018536719	0	51	0.0	-82.68	404.39	9.62	-73.06
O=C([O-])COC1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=C1	REAL300018536720	0	46	0.0	-90.95	377.69	10.48	-80.47
O=C([O-])COC1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=C1	REAL300018536721	0	46	0.0	-90.95	377.69	10.48	-80.47
O=C([O-])C1=CC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=CS1	REAL300018536722	0	39	0.0	-81.15	337.15	9.27	-71.88
O=C([O-])C1=NOC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536723	1	38	0.0	-86.13	324.07	7.76	-78.37
O=C([O-])C1=CC=CC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=N1	REAL300018536724	0	41	0.0	-80.96	343.11	8.36	-72.60
O=C([O-])C1=NOC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536725	1	38	0.0	-86.13	324.07	7.76	-78.37
CC(OC1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=C1)C(=O)[O-]	REAL300018536726	0	49	0.0	-91.30	395.57	11.08	-80.22
O=C([O-])C=CC1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536727	0	43	0.0	-92.70	364.54	8.34	-84.36
CC1=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=C(C(=O)[O-])O1	REAL300018536728	0	42	0.0	-83.94	351.51	9.39	-74.55
CC1=C(C(=O)[O-])OC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536729	0	42	0.0	-81.25	348.02	9.34	-71.91
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=C1Cl	REAL300018536730	0	42	0.0	-90.45	358.78	10.54	-79.91
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C(C(F)(F)F)=C1	REAL300018536731	0	45	0.0	-85.16	374.75	11.02	-74.14
CN1C=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C(C(=O)[O-])=N1	REAL300018536732	0	42	0.0	-63.76	348.41	8.05	-55.71
CCC1=C(C(=O)[O-])C=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536733	0	45	0.0	-79.07	369.77	10.01	-69.06
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)N=C1	REAL300018536734	0	41	0.0	-81.95	342.43	8.36	-73.59
CN1N=C(C(=O)[O-])C=C1C[NH+]1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300018536735	1	42	0.0	-93.72	342.68	7.76	-85.96
O=C([O-])CCC1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)O1	REAL300018536736	0	45	0.0	-80.67	372.67	10.19	-70.48
O=C([O-])C1=CC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=CC=C1F	REAL300018536737	0	42	0.0	-87.88	350.87	10.18	-77.70
O=C([O-])C1=CC2=C(SC(C[NH+]3CCC(N4C=C([N+](=O)[O-])C=N4)CC3)=C2)S1	REAL300018536738	0	42	0.0	-92.67	374.94	10.87	-81.80
O=C([O-])C1=C2N=CC(C[NH+]3CCC(N4C=C([N+](=O)[O-])C=N4)CC3)=CN2N=C1	REAL300018536739	1	44	0.0	-110.06	370.12	9.13	-100.93
O=C([O-])C1=CC=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C=N1	REAL300018536740	0	41	0.0	-93.83	342.09	8.37	-85.46
O=C([O-])C1=CC(F)=C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C(F)=C1	REAL300018536741	1	42	0.0	-74.34	354.62	10.11	-64.23
O=C([O-])C1=CN2C(C[NH+]3CCC(N4C=C([N+](=O)[O-])C=N4)CC3)=CN=C2C=C1	REAL300018536742	0	45	0.0	-73.41	369.03	10.49	-62.92
CC1=CC(C(=O)[O-])=NC=C1C[NH+]1CCC(N2C=C([N+](=O)[O-])C=N2)CC1	REAL300018536743	0	44	0.0	-93.72	358.82	9.04	-84.68
O=C([O-])[C@@H]1CC[C@H](C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C1	REAL300018536744	0	45	0.0	-81.84	351.93	9.95	-71.89
O=C([O-])C1=CN=C2C(C[NH+]3CCC(N4C=C([N+](=O)[O-])C=N4)CC3)=CC=CN12	REAL300018536745	0	45	0.0	-92.02	373.00	9.94	-82.08
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)C1	REAL300018536747	1	49	0.0	-92.32	395.61	10.10	-82.22
O=C([O-])C1=CC(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=CC(C(F)(F)F)=C1	REAL300018536748	0	45	0.0	-81.92	385.33	11.19	-70.73
O=C([O-])C1=CC=C(O)C(C[NH+]2CCC(N3C=C([N+](=O)[O-])C=N3)CC2)=C1	REAL300018536749	0	43	0.0	-79.11	355.69	7.59	-71.52
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300018536750	0	39	0.0	-36.41	360.08	9.06	-27.35
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300018536751	0	38	0.0	-26.70	337.60	9.08	-17.62
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])CC1=CC=CC=C1	REAL300018536752	0	42	0.0	-27.21	341.79	10.78	-16.43
COC1=CC=C(OC2=CC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])C=C2)C=C1	REAL300018536753	0	48	0.0	-29.18	403.32	10.87	-18.31
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(CC2=CC=CN=C2)N=N1	REAL300018536754	0	41	0.0	-42.57	359.74	7.32	-35.25
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(C2=CC=C(Cl)C(Cl)=C2)N=N1	REAL300018536755	0	39	0.0	-36.86	371.55	9.54	-27.32
CC(C)C1=CN=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536756	1	38	0.0	-24.55	332.72	7.97	-16.58
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300018536757	0	40	0.0	-33.58	363.90	9.51	-24.07
O=C([O-])C(CC1=CC=CS1)[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300018536758	0	37	0.0	-31.82	327.55	10.06	-21.76
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=C(Br)C=CS1	REAL300018536759	0	30	0.0	-24.12	294.61	8.37	-15.75
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300018536760	0	38	0.0	-26.55	342.17	9.19	-17.36
CC(C)C1=CC=C(CC[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018536761	0	45	0.0	-32.07	366.32	11.37	-20.70
CC1=CN2C=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])N=C2C=C1	REAL300018536762	0	39	0.0	-35.22	335.10	9.90	-25.32
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300018536763	0	39	0.0	-27.08	368.19	10.31	-16.77
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C2OC=CC2=C1	REAL300018536764	0	36	0.0	-27.92	312.50	9.06	-18.86
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300018536765	0	52	0.0	-28.10	422.28	12.12	-15.98
C[NH+](C)CC1=CN=C(CNC(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536766	1	40	0.0	-68.20	349.43	6.89	-61.31
O=C([O-])C(CC1=CC=CS1)[NH2+]CCC1=CC=C(Cl)C=C1	REAL300018536767	0	36	0.0	-35.02	324.98	10.04	-24.98
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018536768	0	43	0.0	-32.13	382.66	10.94	-21.19
C[NH+](C)CC1=CC(CNC(CC2=CC=CS2)C(=O)[O-])=NO1	REAL300018536769	1	40	0.0	-64.38	343.92	7.15	-57.23
COCCOCC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018536771	0	47	0.0	-29.23	396.97	8.73	-20.50
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300018536772	0	46	0.0	-25.83	369.98	11.96	-13.87
COC1=CC=C(F)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536773	0	37	0.0	-27.78	319.96	8.13	-19.65
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(CC(F)F)N=C1	REAL300018536774	0	36	0.0	-36.68	321.61	7.70	-28.98
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300018536775	0	43	0.0	-25.36	350.87	11.32	-14.04
CC1=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300018536776	0	43	0.0	-26.28	366.78	10.80	-15.48
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C2CCCC2=N1	REAL300018536777	0	39	0.0	-32.48	327.24	8.77	-23.71
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=NN1C1CCCC1	REAL300018536778	0	43	0.0	-27.76	352.47	9.23	-18.53
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(C2CC2)C=C1	REAL300018536779	0	40	0.0	-28.47	335.96	10.85	-17.62
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536780	0	43	0.0	-28.03	369.30	10.58	-17.45
CC1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=CC=C1C(F)(F)F	REAL300018536781	0	39	0.0	-30.80	341.17	10.26	-20.54
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300018536782	0	39	0.0	-28.94	336.22	8.36	-20.58
CCC1=CC=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C1O	REAL300018536783	0	40	0.0	-26.31	338.10	7.45	-18.86
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018536784	0	43	0.0	-28.54	378.21	9.13	-19.41
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C2OCCOC2=C1	REAL300018536785	0	39	0.0	-31.79	329.09	7.83	-23.96
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC(Br)=C1	REAL300018536786	0	33	0.0	-27.01	305.88	9.28	-17.73
COC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1OC	REAL300018536787	0	41	0.0	-30.82	343.33	7.86	-22.96
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300018536788	0	36	0.0	-28.77	313.67	9.80	-18.97
CCOC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1OC	REAL300018536789	0	44	0.0	-31.45	367.35	8.86	-22.59
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300018536790	0	40	0.0	-32.93	353.40	10.70	-22.23
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Br)=CS1	REAL300018536791	0	30	0.0	-25.96	298.13	8.50	-17.46
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018536792	0	39	0.0	-32.93	358.00	9.60	-23.33
CC1=NN(C)C(Cl)=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536793	0	36	0.0	-25.94	323.26	7.37	-18.57
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300018536794	0	40	0.0	-30.10	344.79	9.98	-20.12
CCOC1=CC=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C1	REAL300018536795	0	40	0.0	-27.99	338.10	8.97	-19.02
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC2=C1OCO2	REAL300018536796	0	36	0.0	-30.43	311.13	7.38	-23.05
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536797	0	42	0.0	-25.07	357.33	7.77	-17.30
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300018536798	0	36	0.0	-23.93	336.02	10.23	-13.70
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(F)C(Cl)=C1	REAL300018536799	0	33	0.0	-30.24	309.34	9.30	-20.94
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300018536800	0	36	0.0	-31.43	331.07	9.80	-21.63
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300018536801	0	33	0.0	-24.54	312.32	9.61	-14.93
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300018536802	0	36	0.0	-29.07	320.07	9.87	-19.20
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300018536803	0	36	0.0	-30.24	330.56	9.76	-20.48
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(F)=CC=C1Br	REAL300018536804	0	33	0.0	-24.82	306.50	9.33	-15.49
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300018536805	0	39	0.0	-28.65	362.92	10.73	-17.92
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Cl)=CC=C1F	REAL300018536806	0	33	0.0	-27.76	308.73	9.30	-18.46
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300018536807	0	42	0.0	-34.44	358.47	10.62	-23.82
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536808	0	48	0.0	-25.40	380.43	9.31	-16.09
CCC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300018536809	0	42	0.0	-31.37	342.29	10.68	-20.69
CC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C(Br)=C1	REAL300018536810	0	36	0.0	-25.86	321.52	9.93	-15.93
O=C([O-])C(CC1=CC=CS1)[NH2+]CC=CC1=CC=C(F)C=C1	REAL300018536811	0	37	0.0	-31.63	322.04	10.03	-21.60
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300018536812	0	35	0.0	-29.00	305.96	7.69	-21.31
COC1=CC=C2OC(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CC2=C1	REAL300018536813	0	40	0.0	-32.11	341.94	8.48	-23.63
CC1=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C2=CC=CC=C2O1	REAL300018536814	0	39	0.0	-28.78	333.85	9.88	-18.90
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=COC2=CC=CC=C12	REAL300018536815	0	36	0.0	-28.53	314.66	9.11	-19.42
CC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1Br	REAL300018536816	0	36	0.0	-29.75	324.08	9.85	-19.90
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C2C=NC=CN12	REAL300018536817	0	35	0.0	-30.58	308.40	7.41	-23.17
CC1=CN2C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CN=C2C=C1	REAL300018536818	0	39	0.0	-28.39	332.66	9.75	-18.64
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C2C=CSC2=C1	REAL300018536819	0	35	0.0	-28.93	316.99	8.21	-20.72
CN1C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=NC2=CC=C(Cl)C=C21	REAL300018536820	0	39	0.0	-33.84	350.73	9.61	-24.23
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536821	0	39	0.0	-26.43	336.43	10.30	-16.13
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300018536822	0	37	0.0	-31.51	330.07	8.31	-23.20
CC1=NN2C(=NC(C)=C2C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536823	0	38	0.0	-31.36	339.46	7.91	-23.45
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300018536824	0	47	0.0	-29.57	402.28	12.02	-17.55
CN1C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=NC2=CC(Cl)=CC=C21	REAL300018536825	0	39	0.0	-25.88	348.63	9.56	-16.32
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018536826	0	39	0.0	-29.94	343.74	10.69	-19.25
COC1=CC(Cl)=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1Cl	REAL300018536827	0	37	0.0	-26.33	343.70	9.04	-17.29
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018536828	0	42	0.0	-33.43	361.39	10.44	-22.99
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1CCOC2=CC=CC=C21	REAL300018536829	0	41	0.0	-28.73	331.66	9.14	-19.59
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536830	0	55	0.0	-27.84	433.70	12.60	-15.24
CC1(C)CCC2=C(C1)SC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])=N2	REAL300018536831	1	45	0.0	-27.69	370.73	9.42	-18.27
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300018536832	0	40	0.0	-31.49	350.81	6.95	-24.54
COC1=C(Br)C=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536833	0	34	0.0	-29.11	328.65	7.90	-21.21
CC1=CC(Cl)=CC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536834	0	36	0.0	-24.69	312.98	9.73	-14.96
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=CC(Br)=C1	REAL300018536835	0	32	0.0	-29.12	300.75	7.49	-21.63
CCN1N=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C2=CC=CC=C21	REAL300018536836	1	42	0.0	-30.72	357.18	9.49	-21.23
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NC=C(Cl)S1	REAL300018536837	0	29	0.0	-25.49	287.27	6.46	-19.03
O=C([O-])C(CC1=CC=CS1)[NH2+]CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300018536838	0	45	0.0	-35.85	389.98	12.08	-23.77
CCSC1=CC=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C1	REAL300018536839	0	40	0.0	-26.75	346.27	10.52	-16.23
O=C([O-])C(CC1=CC=CS1)[NH2+]CCSCC1=CC=CC=C1	REAL300018536840	0	40	0.0	-30.19	351.28	10.84	-19.35
CCCC1=CC=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C1	REAL300018536841	0	42	0.0	-27.00	348.97	10.88	-16.12
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536842	0	46	0.0	-29.65	382.56	9.75	-19.90
O=C([O-])C(CC1=CC=CS1)[NH2+]CCCC1=CC=C2OCCC2=C1	REAL300018536843	0	44	0.0	-33.59	363.49	10.07	-23.52
COC1=C(Br)C=CC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536844	0	37	0.0	-22.88	334.36	8.85	-14.03
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(F)=CC(Cl)=C1	REAL300018536845	0	33	0.0	-29.91	309.88	9.32	-20.59
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018536846	0	43	0.0	-33.92	375.78	10.47	-23.45
CC(CC[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300018536847	0	42	0.0	-29.00	343.68	10.67	-18.33
O=C([O-])C(CC1=CC=CS1)[NH2+]CCCC1=C(F)C=CC=C1Cl	REAL300018536848	0	39	0.0	-30.89	349.11	10.75	-20.14
CC1=NC2=CC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])C=C2C=C1	REAL300018536849	0	41	0.0	-31.90	349.45	9.71	-22.19
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300018536850	0	39	0.0	-29.91	339.17	10.58	-19.33
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=C(F)C=C1	REAL300018536851	0	39	0.0	-33.23	327.00	10.02	-23.21
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Cl)C=C1F	REAL300018536852	0	33	0.0	-29.43	307.41	9.28	-20.15
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Br)O1	REAL300018536853	0	30	0.0	-31.32	287.87	7.56	-23.76
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536854	0	39	0.0	-25.90	334.99	10.21	-15.69
COC1=CC=C2N=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])SC2=C1	REAL300018536855	1	39	0.0	-28.40	348.40	7.56	-20.84
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300018536856	0	30	0.0	-28.75	313.15	9.01	-19.74
CCN(C)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536858	0	43	0.0	-26.62	355.57	9.51	-17.11
COCCN(C)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536859	0	47	0.0	-27.09	386.95	8.70	-18.39
CC(C)N(C)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536860	0	46	0.0	-26.92	373.16	10.04	-16.88
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300018536861	0	44	0.0	-26.99	369.47	10.58	-16.41
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300018536862	1	40	0.0	-28.40	344.05	10.44	-17.96
CC(C)=CCCC(C)CC[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536863	0	48	0.0	-30.04	378.02	11.16	-18.88
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300018536864	0	33	0.0	-28.47	320.71	9.74	-18.73
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NN(C(F)F)C=C1	REAL300018536867	0	33	0.0	-25.71	300.59	6.58	-19.13
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300018536868	0	38	0.0	-29.55	344.74	9.82	-19.73
COC1=CC(Br)=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1O	REAL300018536869	0	38	0.0	-24.94	342.10	6.48	-18.46
CC(C)C1CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])CCO1	REAL300018536870	0	46	0.0	-32.96	357.87	8.80	-24.16
CC1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=CC=C1Cl	REAL300018536871	0	36	0.0	-29.39	322.21	9.84	-19.55
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300018536872	0	41	0.0	-26.02	351.88	10.49	-15.53
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536873	0	47	0.0	-28.75	388.70	11.56	-17.19
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300018536874	0	37	0.0	-27.56	336.25	10.04	-17.52
CC(C)CN1C=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536875	0	42	0.0	-32.87	352.40	8.95	-23.92
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(SC2=CC=CC=N2)O1	REAL300018536876	0	40	0.0	-32.41	361.51	9.87	-22.54
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1CC2=CC=CC=C2C1	REAL300018536877	0	40	0.0	-29.08	328.59	10.55	-18.53
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300018536878	0	44	0.0	-29.84	381.54	11.68	-18.16
CC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1Cl	REAL300018536879	0	36	0.0	-29.76	320.05	9.77	-19.99
COC1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=CC=C1C	REAL300018536880	0	40	0.0	-29.73	336.32	8.79	-20.94
CC(O)C1=NC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536881	0	36	0.0	-30.35	325.66	4.14	-26.21
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Cl)=CS1	REAL300018536882	0	30	0.0	-25.96	293.54	8.39	-17.57
CC(C)(C)C1=CC=C(CC[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018536883	0	48	0.0	-32.87	384.46	11.85	-21.02
CN1N=CC(Br)=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536884	0	33	0.0	-22.93	308.36	6.93	-16.00
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=C(Cl)C=CS1	REAL300018536885	0	30	0.0	-24.78	290.62	8.27	-16.51
CCOC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1F	REAL300018536886	0	40	0.0	-30.75	344.33	9.05	-21.70
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300018536887	0	36	0.0	-31.85	333.22	7.81	-24.04
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC2=CC=CC=C2N1	REAL300018536888	0	37	0.0	-28.93	317.30	8.65	-20.28
CC(C)(C)C1=CN=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536889	1	41	0.0	-24.82	351.76	8.50	-16.32
CSC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536890	0	34	0.0	-25.14	319.95	9.09	-16.05
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OCCCCl)C=C1	REAL300018536891	0	43	0.0	-29.83	376.44	10.42	-19.41
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])C=C2)C=N1	REAL300018536892	0	43	0.0	-31.50	365.23	10.03	-21.47
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C(C(F)(F)F)=C1	REAL300018536893	0	44	0.0	-28.99	366.49	10.24	-18.75
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536894	0	47	0.0	-29.04	393.49	11.16	-17.88
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1CCC(C2=CC=CC=C2)CC1	REAL300018536895	0	49	0.0	-31.67	383.69	12.49	-19.18
O=C([O-])C(CC1=CC=CS1)[NH2+]CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300018536896	0	52	0.0	-26.90	413.84	14.40	-12.50
CC1=NN(C(C)C)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536897	0	42	0.0	-28.80	349.08	8.54	-20.26
COC1=CC=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C1F	REAL300018536898	0	37	0.0	-26.96	321.62	8.07	-18.89
CN1C=C(C2=CC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])S2)C=N1	REAL300018536900	0	40	0.0	-32.81	360.70	9.43	-23.38
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018536901	0	42	0.0	-34.79	361.49	11.06	-23.73
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300018536902	0	43	0.0	-26.77	384.66	10.67	-16.10
COC1=CC=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C1OC	REAL300018536903	0	41	0.0	-25.93	345.53	8.00	-17.93
CC1=NN(C)C2=NC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])C=C12	REAL300018536904	0	41	0.0	-36.00	353.01	8.47	-27.53
CN1C=NC2=CC(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CC=C21	REAL300018536905	0	39	0.0	-31.74	335.13	10.07	-21.67
CN(C)C1=NC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536906	0	39	0.0	-31.85	332.88	9.27	-22.58
CN1N=NC2=CC(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CC=C21	REAL300018536907	0	38	0.0	-33.57	330.73	7.19	-26.38
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC2=NC=CN21	REAL300018536908	0	36	0.0	-34.92	309.11	9.01	-25.91
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2CC2)N=C1	REAL300018536909	0	38	0.0	-31.49	328.74	8.40	-23.09
COCCN1C=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536910	0	40	0.0	-33.33	344.76	6.46	-26.87
O=C([O-])C(CC1=CC=CS1)[NH2+]CCCCCOC1=CC=CC=C1	REAL300018536911	0	46	0.0	-32.75	379.07	10.59	-22.16
COCC(C)OC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018536912	0	47	0.0	-27.80	386.70	8.93	-18.87
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300018536913	0	46	0.0	-25.52	372.66	10.59	-14.93
NS(=O)(=O)C1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=CC=C1Cl	REAL300018536914	0	38	0.0	-40.82	351.89	4.17	-36.65
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300018536915	0	45	0.0	-32.64	372.08	8.39	-24.25
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300018536916	0	39	0.0	-29.99	354.65	9.99	-20.00
CN1C=C(C2=NC(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CS2)C=N1	REAL300018536917	0	39	0.0	-35.98	354.93	7.30	-28.68
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536918	0	50	0.0	-27.43	412.05	12.28	-15.15
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC(C2CC2)=C1	REAL300018536919	0	40	0.0	-27.96	335.96	10.84	-17.12
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300018536920	0	38	0.0	-28.81	338.13	9.60	-19.21
CC1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=NC=C1Br	REAL300018536921	0	35	0.0	-31.51	320.23	8.05	-23.46
CC(C)(C)C1=CSC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=N1	REAL300018536922	1	41	0.0	-25.48	352.32	8.46	-17.02
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NC=C(Br)C=C1F	REAL300018536923	0	32	0.0	-27.39	307.08	7.50	-19.89
CC1=CC(Br)=CN2C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CN=C12	REAL300018536924	0	39	0.0	-28.36	354.15	10.29	-18.07
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300018536925	0	42	0.0	-25.69	357.03	9.36	-16.33
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300018536926	0	39	0.0	-29.44	359.62	10.02	-19.42
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2CCCCC2)S1	REAL300018536927	0	45	0.0	-25.49	375.70	9.94	-15.55
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2CC2)S1	REAL300018536928	0	36	0.0	-28.67	323.33	8.33	-20.34
CC(C)CC1=NC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536929	0	41	0.0	-26.28	354.29	8.94	-17.34
CC(C)C1=NC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536930	0	38	0.0	-25.72	334.09	8.04	-17.68
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300018536931	0	36	0.0	-25.95	342.01	8.82	-17.13
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300018536932	0	39	0.0	-25.78	366.87	10.27	-15.51
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300018536933	0	36	0.0	-29.45	341.59	8.67	-20.78
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])S2)C=C1C	REAL300018536934	0	45	0.0	-27.23	389.84	11.00	-16.23
CC1=CC=C(C2=NC=C(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])S2)O1	REAL300018536935	0	39	0.0	-27.53	356.15	8.70	-18.83
CC1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=C(Br)C=C1F	REAL300018536936	0	36	0.0	-22.05	328.55	10.06	-11.99
CC1=CC(Br)=CC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536937	0	36	0.0	-24.59	317.55	9.84	-14.75
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300018536938	0	45	0.0	-27.85	396.02	11.28	-16.57
COCCC1=NC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536939	0	39	0.0	-26.90	346.97	6.51	-20.39
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300018536940	0	36	0.0	-32.61	328.96	7.92	-24.69
O=C([O-])C(CC1=CC=CS1)[NH2+]CCCC1=C(Cl)C=CC=C1Cl	REAL300018536942	0	39	0.0	-30.54	357.86	11.15	-19.39
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300018536943	0	33	0.0	-26.60	316.83	9.78	-16.82
CC1=C(Br)C=NC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536944	0	35	0.0	-25.25	309.96	7.97	-17.28
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN2C=CC(Br)=CC2=N1	REAL300018536945	0	36	0.0	-36.61	335.04	9.87	-26.74
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NC2=C(CCC2)S1	REAL300018536947	1	36	0.0	-26.23	317.37	7.90	-18.33
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536948	0	43	0.0	-32.86	369.62	10.68	-22.18
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536949	0	46	0.0	-29.18	384.30	11.18	-18.00
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2=CC=CN=C2)S1	REAL300018536950	0	38	0.0	-28.00	346.46	8.01	-19.99
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC(Br)=C([N+](=O)[O-])S1	REAL300018536951	0	32	0.0	-34.91	323.02	9.15	-25.76
CC(CCC1=CC=CC=C1)C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536952	0	45	0.0	-27.81	364.09	11.61	-16.20
CC1=CC=C(CCC[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=N1	REAL300018536953	0	41	0.0	-34.69	346.20	9.13	-25.56
COC1=CC=C(CC(C)C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1F	REAL300018536954	0	46	0.0	-33.51	379.19	10.16	-23.35
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])CC1CCCCC1	REAL300018536955	0	48	0.0	-28.73	362.62	10.90	-17.83
CC1=C(C)C=C2OC(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CC2=C1	REAL300018536956	0	42	0.0	-32.44	352.92	10.47	-21.97
CCC1=NN(C)C(CC)=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536957	0	45	0.0	-27.98	371.30	8.99	-18.99
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN=C(C2CCC2)S1	REAL300018536958	0	39	0.0	-26.22	340.99	8.88	-17.34
CCC1=C2OC(C[NH2+]C(CC3=CC=CS3)C(=O)[O-])=CC2=CC=C1	REAL300018536959	0	42	0.0	-31.39	355.37	10.63	-20.76
CCCC1CCC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])CC1	REAL300018536960	0	48	0.0	-30.08	368.32	11.09	-18.99
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300018536961	0	45	0.0	-41.89	381.28	7.48	-34.41
CC(C)C1CCC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])CC1	REAL300018536962	0	48	0.0	-30.70	354.86	10.51	-20.19
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300018536963	0	35	0.0	-26.57	339.71	8.79	-17.78
CC(C)CN1N=CC=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536964	0	42	0.0	-24.80	342.60	8.29	-16.51
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300018536965	0	43	0.0	-39.58	361.75	6.32	-33.26
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1	REAL300018536966	0	39	0.0	-39.80	361.04	9.24	-30.56
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2Cl)N=N1	REAL300018536967	0	39	0.0	-40.21	373.51	9.76	-30.45
CC1=CC(C)=C(C=CC[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1C	REAL300018536968	0	46	0.0	-30.38	373.66	11.76	-18.62
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536969	0	44	0.0	-31.96	370.72	10.06	-21.90
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536970	0	43	0.0	-31.04	368.47	11.37	-19.67
COCC1=CC=CC=C1C=C(C)C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536971	0	47	0.0	-31.51	385.26	10.34	-21.17
CN1N=C(Br)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536972	0	33	0.0	-29.77	308.77	6.83	-22.94
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300018536973	0	39	0.0	-28.23	346.09	10.51	-17.72
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1CCN(C2=CC=CC=C2)C1	REAL300018536974	0	45	0.0	-29.31	358.55	9.03	-20.28
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536975	0	36	0.0	-31.09	328.43	7.32	-23.77
NS(=O)(=O)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536976	0	35	0.0	-38.05	333.38	2.85	-35.20
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(CC2=CC=CS2)C(=O)[O-])S1	REAL300018536977	0	44	0.0	-28.00	383.05	9.22	-18.78
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1C2CC3CC(C2)CC1C3	REAL300018536978	0	47	0.0	-28.76	341.70	10.55	-18.21
CCOP(=O)(CCC[NH2+]C(CC1=CC=CS1)C(=O)[O-])OCC	REAL300018536979	0	46	0.0	-35.40	389.74	8.53	-26.87
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300018536980	0	46	0.0	-26.86	368.81	11.87	-14.99
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300018536981	0	45	0.0	-32.71	363.64	9.54	-23.17
COC1=CC(OC)=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1F	REAL300018536982	0	41	0.0	-28.16	348.87	7.47	-20.69
COC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1CCCCC1	REAL300018536983	0	46	0.0	-27.56	355.08	9.09	-18.47
CC(C)OC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC=CC=C1	REAL300018536984	0	46	0.0	-32.25	379.19	10.39	-21.86
CCCCCCCCCC(C)CC[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018536985	0	59	0.0	-30.21	456.12	13.88	-16.33
COC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])CC1=CC=CC=C1	REAL300018536986	0	43	0.0	-29.68	355.54	9.58	-20.10
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC([N+](=O)[O-])=C1	REAL300018536987	0	35	0.0	-31.70	312.80	9.34	-22.36
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1	REAL300018536988	0	35	0.0	-33.20	314.66	9.44	-23.76
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=CC2=CC=CC=C21	REAL300018536989	0	39	0.0	-25.88	322.02	10.75	-15.13
CN(C)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018536990	0	41	0.0	-26.63	337.94	9.18	-17.45
CCN(CC)C1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018536991	0	47	0.0	-26.04	381.56	11.08	-14.96
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Br)C=C1	REAL300018536992	0	33	0.0	-26.59	306.40	9.35	-17.24
COC1=CC(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])=CC(OC)=C1OC	REAL300018536993	0	45	0.0	-30.28	377.02	7.85	-22.43
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300018536994	0	33	0.0	-27.37	314.97	9.70	-17.67
O=C([O-])C(CC1=CC=CS1)[NH2+]CC1=CC=C(N2CCOCC2)C=C1	REAL300018536995	0	46	0.0	-27.17	369.13	7.56	-19.61
CC1=CC=C(C[NH2+]C(CC2=CC=CS2)C(=O)[O-])C(C)=C1Br	REAL300018536996	0	39	0.0	-25.60	332.53	10.31	-15.29
O=C([O-])C(CC1=CC=CS1)[NH2+]CC=CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018536997	0	51	0.0	-32.36	426.84	13.24	-19.12
CC(C[NH2+]C(CC1=CC=CS1)C(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300018536998	0	39	0.0	-34.40	334.25	10.13	-24.27
CN1N=C2CCCCC2=C1C[NH2+]C(CC1=CC=CS1)C(=O)[O-]	REAL300018537000	0	43	0.0	-28.53	349.61	8.70	-19.83
CC1(C)CC([NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])CC(C)(C)C1	REAL300018538970	0	55	0.0	-33.52	366.34	10.83	-22.69
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018538971	0	47	0.0	-38.50	360.32	11.94	-26.56
CC(CCC1=CNC2=CC=CC=C12)[NH2+][C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300018538972	0	53	0.0	-42.06	391.82	11.91	-30.15
COC1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C(Cl)=C1OC	REAL300018538973	0	48	0.0	-36.11	371.84	9.45	-26.66
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018538974	0	47	0.0	-40.27	369.71	12.33	-27.94
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018538975	0	43	0.0	-42.43	340.61	11.29	-31.14
CC(C)OC1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300018538976	0	50	0.0	-40.84	371.67	10.58	-30.26
CCCCCCCOC1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300018538977	0	62	0.0	-39.73	461.19	13.86	-25.87
CC(C[NH2+][C@H]1CCC2(CC2)C[C@H]1C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018538978	0	61	0.0	-39.32	435.02	14.16	-25.16
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018538979	0	39	0.0	-46.59	322.09	9.60	-36.99
CC(C)CC1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300018538980	0	52	0.0	-37.78	383.49	12.40	-25.38
CC1=CC=C(C2=CC=CC(C[NH2+][C@H]3CCC4(CC4)C[C@H]3C(=O)[O-])=C2)C=C1	REAL300018538981	0	53	0.0	-40.08	397.96	13.80	-26.28
COC1=CC=C(Br)C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=C1	REAL300018538982	0	44	0.0	-37.89	347.25	9.61	-28.28
COC1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018538983	0	46	0.0	-48.02	357.56	10.54	-37.48
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018538984	0	40	0.0	-41.96	336.67	10.78	-31.18
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])=C1	REAL300018538985	0	53	0.0	-38.39	398.39	13.79	-24.60
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018538986	0	44	0.0	-43.42	341.30	9.38	-34.04
CCOC1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1OCC	REAL300018538987	0	54	0.0	-44.08	404.49	10.84	-33.24
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018538988	0	43	0.0	-47.77	353.93	11.21	-36.56
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=C(F)C=C1Br	REAL300018538989	0	40	0.0	-42.87	323.94	10.46	-32.41
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018538990	0	43	0.0	-49.11	341.64	8.90	-40.21
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018538991	0	45	0.0	-40.83	332.67	10.01	-30.82
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018538992	0	44	0.0	-39.97	348.34	9.51	-30.46
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300018538993	0	46	0.0	-50.21	363.03	7.25	-42.96
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2CCC3(CC3)C[C@H]2C(=O)[O-])C=C1	REAL300018538994	0	54	0.0	-41.49	410.55	12.78	-28.71
CC(CCOCC1=CC=CC=C1)[NH2+][C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300018538995	0	53	0.0	-38.18	391.09	11.05	-27.13
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018538996	0	47	0.0	-39.37	355.44	11.70	-27.67
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018538997	0	50	0.0	-41.17	393.28	13.65	-27.52
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018538998	0	50	0.0	-41.52	392.98	13.72	-27.80
O=C([O-])[C@@H]1CC2(CC2)CC[C@@H]1[NH2+]CC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)O1	REAL300018538999	0	50	0.0	-46.05	401.33	12.70	-33.35
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1CCC2(CC2)C[C@H]1C(=O)[O-]	REAL300018539000	0	46	0.0	-38.88	349.29	10.16	-28.72
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1F	REAL300018555492	0	49	0.0	-67.29	386.49	9.62	-57.67
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCCC2(C)C)[C@H]1CC(=O)[O-]	REAL300018555493	0	55	0.0	-56.80	385.51	9.34	-47.46
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])[C@H]1CC(=O)[O-]	REAL300018555495	0	48	0.0	-64.46	394.21	9.91	-54.55
CC(C)=CCCC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555496	0	55	0.0	-59.61	408.58	10.01	-49.60
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)[C@H]1CC(=O)[O-]	REAL300018555497	0	61	0.0	-59.91	426.93	10.06	-49.85
CC(CCC1=CNC2=CC=CC=C12)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555498	0	59	0.0	-64.66	448.49	11.09	-53.57
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(Cl)=C1OC	REAL300018555499	0	54	0.0	-65.72	434.37	8.69	-57.03
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)[C@H]1CC(=O)[O-]	REAL300018555500	0	53	0.0	-67.19	427.19	11.54	-55.65
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=CC=C3S2)[C@H]1CC(=O)[O-]	REAL300018555501	0	49	0.0	-65.91	397.35	10.45	-55.46
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555502	0	56	0.0	-66.20	429.04	9.76	-56.44
CC(C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018555503	0	67	0.0	-64.18	492.69	13.27	-50.91
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1F	REAL300018555504	0	49	0.0	-69.10	386.49	9.61	-59.49
CC1CCC(C)C([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300018555505	0	55	0.0	-57.85	386.96	9.20	-48.65
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C3NC=CC3=CC=C2)[C@H]1CC(=O)[O-]	REAL300018555506	0	50	0.0	-66.36	391.18	8.92	-57.44
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC([N+](=O)[O-])=C2)[C@H]1CC(=O)[O-]	REAL300018555507	0	45	0.0	-78.19	379.82	8.71	-69.48
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2N2CCOCC2)[C@H]1CC(=O)[O-]	REAL300018555508	0	59	0.0	-61.34	444.40	8.47	-52.87
CC1CC(C)CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300018555509	0	55	0.0	-59.67	390.17	9.11	-50.56
CC(C)CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555510	0	58	0.0	-63.53	440.68	11.59	-51.94
CC1=CC=C(C2=CC=CC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=C2)C=C1	REAL300018555511	0	59	0.0	-67.01	455.12	12.99	-54.02
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC(C)=C1	REAL300018555512	0	52	0.0	-63.72	402.37	10.24	-53.48
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300018555513	0	52	0.0	-80.13	415.29	9.65	-70.48
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300018555514	0	46	0.0	-69.11	393.30	9.93	-59.18
CC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555515	0	52	0.0	-62.16	392.98	9.99	-52.17
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555516	0	59	0.0	-66.25	455.58	12.99	-53.26
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)[C@H]1CC(=O)[O-]	REAL300018555517	0	50	0.0	-69.11	399.13	8.49	-60.62
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1OCC	REAL300018555518	0	60	0.0	-70.24	462.23	9.95	-60.29
CC(C)C1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555519	0	58	0.0	-59.40	407.94	10.23	-49.17
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)[C@H]1CC(=O)[O-]	REAL300018555520	0	49	0.0	-74.50	411.67	10.32	-64.18
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(F)C=C2Br)[C@H]1CC(=O)[O-]	REAL300018555521	0	46	0.0	-64.33	382.22	9.52	-54.81
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)[C@H]1CC(=O)[O-]	REAL300018555522	0	49	0.0	-76.17	399.38	8.01	-68.16
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=NC3=CC=CC=C23)[C@H]1CC(=O)[O-]	REAL300018555523	0	51	0.0	-71.89	396.22	9.16	-62.73
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)[C@H]1CC(=O)[O-]	REAL300018555524	0	50	0.0	-68.80	405.87	8.70	-60.10
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)[C@H]1CC(=O)[O-]	REAL300018555525	0	52	0.0	-77.30	420.23	6.43	-70.87
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555526	0	60	0.0	-67.31	467.76	11.97	-55.34
CC(CCOCC1=CC=CC=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555527	0	59	0.0	-62.80	447.78	10.17	-52.63
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)[C@H]1CC(=O)[O-]	REAL300018555528	0	53	0.0	-66.05	416.80	11.11	-54.94
CC(C)CCCC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555529	0	57	0.0	-59.65	414.01	9.93	-49.72
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300018555530	0	56	0.0	-67.73	429.09	10.40	-57.33
CCC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555531	0	49	0.0	-62.66	393.09	9.59	-53.07
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555532	0	52	0.0	-71.09	406.24	9.26	-61.83
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3OCCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555533	0	51	0.0	-68.24	395.68	8.75	-59.49
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(Br)=C2)[C@H]1CC(=O)[O-]	REAL300018555534	0	43	0.0	-67.40	371.43	8.58	-58.82
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)[C@H]1CC(=O)[O-]	REAL300018555535	0	59	0.0	-61.84	464.49	10.49	-51.35
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)[C@H]1CC(=O)[O-]	REAL300018555536	0	59	0.0	-62.86	464.23	10.47	-52.39
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)[C@H]1CC(=O)[O-]	REAL300018555537	0	57	0.0	-68.37	433.70	8.82	-59.55
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)[C@H]1CC(=O)[O-]	REAL300018555538	0	54	0.0	-77.44	433.46	5.62	-71.82
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C3C=CNC3=CC=C2)[C@H]1CC(=O)[O-]	REAL300018555539	0	50	0.0	-63.06	391.00	8.94	-54.12
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3C=CNC3=C2)[C@H]1CC(=O)[O-]	REAL300018555540	0	50	0.0	-67.39	390.93	8.93	-58.46
CC1=NN(C)C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555541	0	49	0.0	-70.63	382.09	7.05	-63.58
CC(CC1=CC=CS1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555542	0	49	0.0	-60.53	381.78	9.19	-51.34
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)[C@H]1CC(=O)[O-]	REAL300018555543	0	49	0.0	-68.20	399.10	7.99	-60.21
CC1=CC(F)=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555544	0	49	0.0	-67.52	380.98	9.60	-57.92
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555545	0	60	0.0	-66.50	450.39	10.73	-55.77
CC(CC(C)(C)C1=CC=CC=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555546	0	61	0.0	-61.24	435.42	11.68	-49.56
CN(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555547	0	54	0.0	-58.89	411.21	8.94	-49.95
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)[C@H]1CC(=O)[O-]	REAL300018555548	0	55	0.0	-68.68	429.10	10.55	-58.13
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)[C@H]1CC(=O)[O-]	REAL300018555549	0	55	0.0	-70.47	428.92	10.56	-59.91
CN1CCN(C2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=C2)CC1	REAL300018555550	1	63	0.0	-65.36	468.99	7.62	-57.74
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555551	0	62	0.0	-64.23	462.83	6.42	-57.81
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)[C@H]1CC(=O)[O-]	REAL300018555552	0	55	0.0	-71.62	441.06	7.43	-64.19
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C3=CN=CC=N3)CC2)[C@H]1CC(=O)[O-]	REAL300018555553	0	56	0.0	-67.28	416.34	6.57	-60.71
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(CC3=CC=CC=N3)CC2)[C@H]1CC(=O)[O-]	REAL300018555554	0	60	0.0	-63.46	443.56	7.28	-56.18
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)[C@H]1CC(=O)[O-]	REAL300018555555	0	53	0.0	-72.62	425.12	10.19	-62.43
CC1=NNC(C)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555556	0	49	0.0	-67.46	380.12	6.43	-61.03
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)[C@H]1CC(=O)[O-]	REAL300018555557	0	53	0.0	-72.06	435.44	10.64	-61.42
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN(C(C)(C)C)N=C2)[C@H]1CC(=O)[O-]	REAL300018555558	0	55	0.0	-66.22	422.54	8.73	-57.49
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)[C@H]1CC(=O)[O-]	REAL300018555559	0	53	0.0	-69.49	430.70	9.60	-59.89
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC=C2OC(F)F)[C@H]1CC(=O)[O-]	REAL300018555560	0	50	0.0	-66.47	414.39	9.06	-57.41
COC1=CC=CC(C2=NNC=C2C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555561	0	57	0.0	-72.16	445.34	8.07	-64.09
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(N3CCCC3)N=C2)[C@H]1CC(=O)[O-]	REAL300018555562	0	56	0.0	-72.65	428.85	8.80	-63.85
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)[C@H]1CC(=O)[O-]	REAL300018555563	0	59	0.0	-70.11	465.68	10.41	-59.70
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)[C@H]1CC(=O)[O-]	REAL300018555564	0	59	0.0	-68.24	463.91	10.49	-57.75
CC(C)C1=NN(C)C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555566	0	55	0.0	-67.71	424.71	8.53	-59.18
COCCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555567	0	57	0.0	-66.25	444.86	8.40	-57.85
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1Cl	REAL300018555568	0	50	0.0	-70.25	405.30	8.76	-61.49
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(C3=CC=CC=N3)=N2)[C@H]1CC(=O)[O-]	REAL300018555569	0	51	0.0	-67.95	420.22	7.84	-60.11
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=C(C=C2[N+](=O)[O-])OCCO3)[C@H]1CC(=O)[O-]	REAL300018555570	0	54	0.0	-66.67	421.79	8.54	-58.13
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555571	0	58	0.0	-68.33	440.88	10.47	-57.86
COC1=NC=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555572	0	49	0.0	-63.00	385.69	5.68	-57.32
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(Br)C=N2)[C@H]1CC(=O)[O-]	REAL300018555573	0	45	0.0	-66.79	376.26	7.68	-59.11
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(N3CCOCC3)S2)[C@H]1CC(=O)[O-]	REAL300018555574	0	55	0.0	-68.01	433.18	6.22	-61.79
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=NC=CC=C23)[C@H]1CC(=O)[O-]	REAL300018555575	0	51	0.0	-71.69	395.60	9.15	-62.54
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)[C@H]1CC(=O)[O-]	REAL300018555576	0	53	0.0	-68.20	430.80	9.60	-58.60
CC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555577	0	45	0.0	-65.96	366.23	6.86	-59.10
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=C2OCCO3)[C@H]1CC(=O)[O-]	REAL300018555578	0	52	0.0	-63.08	402.84	8.14	-54.94
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=C2OCCCO3)[C@H]1CC(=O)[O-]	REAL300018555579	0	55	0.0	-65.02	421.36	8.89	-56.13
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)[C@H]1CC(=O)[O-]	REAL300018555580	0	53	0.0	-65.35	419.13	11.15	-54.20
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(C3=CC=CC=C3Cl)C2)[C@H]1CC(=O)[O-]	REAL300018555581	0	53	0.0	-64.12	413.64	11.01	-53.11
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)[C@H]1CC(=O)[O-]	REAL300018555582	0	54	0.0	-73.66	428.93	10.19	-63.47
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(N3CCOCC3)N=C2)[C@H]1CC(=O)[O-]	REAL300018555583	0	57	0.0	-73.77	437.91	7.29	-66.48
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555584	0	58	0.0	-70.02	450.12	10.93	-59.09
CCCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555585	0	56	0.0	-64.85	432.73	9.93	-54.92
CC(CN1C=NC=N1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555586	0	48	0.0	-63.27	368.91	9.29	-53.98
C#CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555587	0	55	0.0	-67.26	438.41	10.46	-56.80
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)[C@H]1CC(=O)[O-]	REAL300018555588	0	53	0.0	-65.98	425.54	11.48	-54.50
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)[C@H]1CC(=O)[O-]	REAL300018555589	0	53	0.0	-71.30	436.49	11.68	-59.62
CC1=C2C=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=NC2=NN1	REAL300018555590	0	51	0.0	-80.66	402.95	7.43	-73.23
CC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=N1	REAL300018555591	0	47	0.0	-71.65	371.24	6.89	-64.76
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(OC3CCCC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555592	0	60	0.0	-64.50	453.94	11.10	-53.40
CCC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555593	0	48	0.0	-65.88	387.71	7.61	-58.27
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2N2C=NC=N2)[C@H]1CC(=O)[O-]	REAL300018555594	0	52	0.0	-59.30	398.60	11.87	-47.43
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300018555595	0	55	0.0	-68.72	433.61	8.28	-60.44
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300018555596	0	55	0.0	-71.31	433.67	8.30	-63.01
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C3C=CC=CN23)[C@H]1CC(=O)[O-]	REAL300018555597	0	49	0.0	-71.04	386.66	9.35	-61.69
CN(C)C1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555598	0	50	0.0	-65.30	400.40	7.94	-57.36
CC(C)OC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555599	0	56	0.0	-66.76	429.15	9.75	-57.01
CC1=CC=C(C2=NC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=CS2)C=C1	REAL300018555600	0	55	0.0	-64.69	446.21	10.38	-54.31
CC(C)C1=NC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555601	0	51	0.0	-62.68	407.73	7.94	-54.74
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(C3CC3)=N2)[C@H]1CC(=O)[O-]	REAL300018555602	0	49	0.0	-63.28	396.02	8.13	-55.15
CCC1=NC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555603	0	48	0.0	-62.71	388.01	7.38	-55.33
CC(CCC1=CC=CC(F)=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555604	0	55	0.0	-65.08	422.99	11.10	-53.98
CC1=CC=CC(CCC(C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555605	0	58	0.0	-62.60	437.99	11.70	-50.90
CC1=CC=C(CCC(C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555606	0	58	0.0	-62.61	437.63	11.68	-50.93
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC(F)(F)CC2)[C@H]1CC(=O)[O-]	REAL300018555607	0	49	0.0	-66.27	366.92	8.28	-57.99
CC(C1=CC=CC=C1)N1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300018555608	0	61	0.0	-61.75	450.92	9.29	-52.46
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(CC3CC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555609	1	58	0.0	-60.68	421.61	7.92	-52.76
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(C(C)(C)C)=N2)[C@H]1CC(=O)[O-]	REAL300018555610	0	54	0.0	-62.37	426.47	8.45	-53.92
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(C3=CSC=C3)=N2)[C@H]1CC(=O)[O-]	REAL300018555611	0	49	0.0	-64.62	415.84	8.64	-55.98
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)[C@H]1CC(=O)[O-]	REAL300018555612	0	53	0.0	-67.08	433.76	11.75	-55.33
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)[C@H]1CC(=O)[O-]	REAL300018555613	0	58	0.0	-64.48	433.68	9.13	-55.35
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=NC=CN=C3C=C2)[C@H]1CC(=O)[O-]	REAL300018555614	0	50	0.0	-73.33	395.81	7.32	-66.01
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2OC2CCCC2)[C@H]1CC(=O)[O-]	REAL300018555615	0	60	0.0	-59.08	452.23	11.17	-47.91
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)[C@H]1CC(=O)[O-]	REAL300018555616	0	49	0.0	-66.72	403.66	9.92	-56.80
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C(C)(C)C)S2)[C@H]1CC(=O)[O-]	REAL300018555617	0	54	0.0	-65.36	426.34	8.68	-56.68
CC(C)CN1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555618	1	60	0.0	-60.35	431.03	8.13	-52.22
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C(C)S1	REAL300018555619	0	49	0.0	-63.11	388.94	9.43	-53.68
CC1=CC=C(C2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])S2)C=C1	REAL300018555620	0	56	0.0	-65.68	448.75	12.36	-53.32
COC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555621	0	50	0.0	-66.53	421.78	9.34	-57.19
C#CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555622	0	52	0.0	-68.80	416.91	9.69	-59.11
CCOC1=C(OC)C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1OC	REAL300018555623	0	61	0.0	-74.04	473.54	8.97	-65.07
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(CC3=CC=NC=C3)CC2)[C@H]1CC(=O)[O-]	REAL300018555624	0	60	0.0	-64.53	443.69	7.56	-56.97
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(C(C)(C)C)CC2)[C@H]1CC(=O)[O-]	REAL300018555625	1	60	0.0	-60.21	419.75	7.27	-52.94
COCCCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555626	0	60	0.0	-66.50	466.41	9.00	-57.50
COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1SC	REAL300018555627	0	54	0.0	-70.25	428.69	9.26	-60.99
CCC(C)OC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1OC	REAL300018555628	0	63	0.0	-69.89	479.06	10.44	-59.45
C=C(C)COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1OC	REAL300018555629	0	61	0.0	-70.87	472.66	10.38	-60.49
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555630	0	67	0.0	-63.09	476.63	4.68	-58.41
CCOCC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1OC	REAL300018555631	0	60	0.0	-64.82	463.36	9.12	-55.70
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NN2)[C@H]1CC(=O)[O-]	REAL300018555632	0	53	0.0	-72.93	419.17	8.83	-64.10
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555633	0	55	0.0	-69.64	437.92	9.87	-59.77
CCN1C=CN=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555634	0	49	0.0	-66.52	381.56	8.18	-58.34
CCCC(CC1=CC=CC=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555635	0	58	0.0	-59.51	417.91	11.06	-48.45
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN(C3=CC=CC=C3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555636	0	52	0.0	-72.35	412.59	8.73	-63.62
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC(C3=CC=CC=C3)=CS2)[C@H]1CC(=O)[O-]	REAL300018555637	0	52	0.0	-65.11	423.11	9.68	-55.43
CCN1N=C(C)C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1C	REAL300018555638	0	55	0.0	-67.52	422.22	8.52	-59.00
C=CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1Cl	REAL300018555639	0	54	0.0	-70.40	440.06	10.27	-60.13
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)[C@H]1CC(=O)[O-]	REAL300018555640	0	52	0.0	-67.57	424.53	9.93	-57.64
COCCC(CC1=CC=CC(F)=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555641	0	59	0.0	-62.75	449.29	9.73	-53.02
CC(C)CCC1CCCC1[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555642	0	61	0.0	-59.53	439.79	10.97	-48.56
CCCCC1CCCC1[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555643	0	58	0.0	-59.35	422.22	10.46	-48.89
COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C2OC(C)CC2=C1	REAL300018555644	0	58	0.0	-61.88	446.06	8.77	-53.11
CN1N=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C2=CC=CC=C21	REAL300018555645	0	52	0.0	-65.94	409.64	8.83	-57.11
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C3C=CC=CC3=NN2)[C@H]1CC(=O)[O-]	REAL300018555646	0	49	0.0	-75.36	386.85	7.52	-67.84
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NNC3=CC=CC=C32)[C@H]1CC(=O)[O-]	REAL300018555646	1	49	0.0	-65.77	386.86	7.54	-58.23
CN(C)C1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1F	REAL300018555647	0	54	0.0	-69.62	420.68	8.46	-61.16
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC=CN2CC(F)(F)F)[C@H]1CC(=O)[O-]	REAL300018555648	0	49	0.0	-67.62	397.02	8.41	-59.21
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555650	0	61	0.0	-62.85	465.13	12.49	-50.36
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)[C@H]1CC(=O)[O-]	REAL300018555651	0	57	0.0	-68.45	437.25	10.15	-58.30
CC1=NSC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555652	0	45	0.0	-69.48	366.06	7.31	-62.17
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=COC(C3=CC=CC=C3)=N2)[C@H]1CC(=O)[O-]	REAL300018555653	0	52	0.0	-67.77	416.22	7.34	-60.43
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(C3=CC=CS3)=N2)[C@H]1CC(=O)[O-]	REAL300018555654	0	49	0.0	-65.35	415.97	8.73	-56.62
CC(CC1=CSC=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555655	0	49	0.0	-60.96	381.40	9.00	-51.96
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CCCCCCC2)[C@H]1CC(=O)[O-]	REAL300018555656	0	58	0.0	-62.92	402.45	10.10	-52.82
CC1=CSC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555657	0	45	0.0	-62.76	366.54	6.65	-56.11
CC1=CC=CC(C2=NNC=C2C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555658	0	56	0.0	-68.87	437.62	9.44	-59.43
COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018555659	0	53	0.0	-70.14	428.06	9.22	-60.92
CC1=NC=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555660	0	48	0.0	-67.24	369.40	7.71	-59.53
CC(CSC(C)(C)C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555661	0	55	0.0	-59.04	412.17	9.51	-49.53
CN(C)C1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N1C	REAL300018555662	0	54	0.0	-69.28	418.17	7.98	-61.30
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC(C3=CC=CC=C3)=CN2)[C@H]1CC(=O)[O-]	REAL300018555663	0	53	0.0	-71.10	418.88	9.22	-61.88
CC(C)OCC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555664	0	52	0.0	-59.41	390.67	7.37	-52.04
CC(C)COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555665	0	59	0.0	-65.91	452.73	10.63	-55.28
COCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555666	0	57	0.0	-68.26	444.75	8.41	-59.85
COCC(CC(C)C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555667	0	55	0.0	-58.08	404.98	7.72	-50.36
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CCCC(C)(C)C2)[C@H]1CC(=O)[O-]	REAL300018555668	0	58	0.0	-62.58	414.76	10.12	-52.46
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300018555669	0	50	0.0	-71.29	415.06	9.03	-62.26
CC1=CC(N(C)C)=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555670	0	57	0.0	-62.59	425.66	9.90	-52.69
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3CCCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555671	0	53	0.0	-64.22	405.02	10.81	-53.41
CC1=CC=CC=C1CC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555672	0	55	0.0	-59.36	411.41	10.73	-48.63
CC1=CC=CC(CC(C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555673	0	55	0.0	-60.66	413.00	10.76	-49.90
COC1=CC2=C(C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])OCO2	REAL300018555674	0	53	0.0	-65.66	414.07	6.93	-58.73
COC1=CC(Cl)=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1OC	REAL300018555675	0	54	0.0	-66.08	430.30	8.59	-57.49
COC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])SC=C1	REAL300018555676	0	47	0.0	-58.32	379.61	7.31	-51.01
CC(C)COC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555677	0	59	0.0	-64.63	452.84	10.63	-54.00
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(F)C3=CC=CC=C23)[C@H]1CC(=O)[O-]	REAL300018555678	0	52	0.0	-70.58	406.29	11.08	-59.50
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC2CCOCC2)[C@H]1CC(=O)[O-]	REAL300018555679	0	53	0.0	-65.52	393.20	7.47	-58.05
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CCSCC2)[C@H]1CC(=O)[O-]	REAL300018555680	0	50	0.0	-67.11	380.19	8.96	-58.15
CC(C)COC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555681	0	59	0.0	-59.30	451.13	10.69	-48.61
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)[C@H]1CC(=O)[O-]	REAL300018555682	0	55	0.0	-62.38	391.96	9.69	-52.69
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)[C@H]1CC(=O)[O-]	REAL300018555683	0	57	0.0	-59.80	437.04	10.13	-49.67
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C(Cl)C=NC=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555684	0	45	0.0	-59.76	383.28	7.97	-51.79
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC3=C(CCCC3)S2)[C@H]1CC(=O)[O-]	REAL300018555685	0	52	0.0	-62.33	408.34	8.67	-53.66
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=NC=C2Br)[C@H]1CC(=O)[O-]	REAL300018555686	0	45	0.0	-64.47	371.50	7.68	-56.79
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=NC=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555687	0	45	0.0	-65.06	367.89	7.60	-57.46
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H]1CC(=O)[O-]	REAL300018555688	0	58	0.0	-62.47	413.09	5.92	-56.55
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(F)=CC(Br)=C2)[C@H]1CC(=O)[O-]	REAL300018555689	0	46	0.0	-70.01	387.59	9.59	-60.42
CCC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCCC1	REAL300018555690	0	55	0.0	-57.69	385.86	9.35	-48.34
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=NN1C	REAL300018555691	0	49	0.0	-63.46	382.32	7.08	-56.38
CC(CC1=CC=C(F)C=C1Cl)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555692	0	52	0.0	-63.60	411.32	10.49	-53.11
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018555693	0	56	0.0	-68.03	438.96	10.07	-57.96
CCC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=N1	REAL300018555694	0	50	0.0	-71.61	392.72	7.50	-64.11
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)[C@H]1CC(=O)[O-]	REAL300018555695	0	53	0.0	-69.03	418.19	10.11	-58.92
CCN1C=NC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555696	0	49	0.0	-68.64	381.72	8.97	-59.67
CC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N1C	REAL300018555697	0	49	0.0	-68.86	380.06	7.86	-61.00
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=NC=C3C=C2)[C@H]1CC(=O)[O-]	REAL300018555698	0	51	0.0	-71.56	400.77	9.38	-62.18
CC1=C(Br)SC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555699	0	46	0.0	-66.62	391.46	9.35	-57.27
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=NNC=C32)[C@H]1CC(=O)[O-]	REAL300018555700	0	49	0.0	-74.67	385.62	7.60	-67.07
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=CNN=C32)[C@H]1CC(=O)[O-]	REAL300018555701	0	49	0.0	-61.78	385.81	7.59	-54.19
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C3CCCN23)[C@H]1CC(=O)[O-]	REAL300018555702	0	50	0.0	-67.94	385.85	8.51	-59.43
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCN(S(C)(=O)=O)CC2)[C@H]1CC(=O)[O-]	REAL300018555703	0	54	0.0	-74.49	410.35	4.58	-69.91
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(F)C=N2)[C@H]1CC(=O)[O-]	REAL300018555704	0	45	0.0	-67.53	361.34	7.16	-60.37
CC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])SC=N1	REAL300018555705	0	45	0.0	-65.68	363.81	6.67	-59.01
COC1=CC(F)=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555706	0	50	0.0	-68.76	395.42	8.27	-60.49
CC(CC1=CN=CC=N1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555707	0	50	0.0	-58.83	382.12	7.27	-51.56
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C(C)(C)C)N=C2)[C@H]1CC(=O)[O-]	REAL300018555708	0	56	0.0	-71.13	431.39	8.86	-62.27
COC1=CC=CC=C1N1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555709	0	62	0.0	-63.77	457.55	8.68	-55.09
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(Cl)=C1	REAL300018555710	0	49	0.0	-60.04	393.89	10.02	-50.02
COC1=CC=C(OC(F)F)C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555711	0	54	0.0	-65.51	427.13	7.82	-57.69
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C(Cl)C=CC=C2OC(F)F)[C@H]1CC(=O)[O-]	REAL300018555712	0	50	0.0	-60.48	411.54	8.95	-51.53
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300018555713	0	48	0.0	-82.56	400.44	9.95	-72.61
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC2=CC=CC(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300018555714	0	49	0.0	-66.43	398.07	10.21	-56.22
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC2C2=CC=CC=C2)[C@H]1CC(=O)[O-]	REAL300018555715	0	56	0.0	-58.09	412.26	11.55	-46.54
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300018555716	0	59	0.0	-68.85	465.07	10.78	-58.07
CC1=CC=C(C2=NC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])S2)C=C1	REAL300018555717	0	55	0.0	-67.43	445.92	10.60	-56.83
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)[C@H]1CC(=O)[O-]	REAL300018555718	0	51	0.0	-61.32	416.06	9.94	-51.38
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)[C@H]1CC(=O)[O-]	REAL300018555719	0	51	0.0	-55.92	413.70	9.83	-46.09
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(F)C3=CC=CN=C23)[C@H]1CC(=O)[O-]	REAL300018555720	0	51	0.0	-63.67	405.21	9.47	-54.20
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(F)=CC3=CC=CN=C32)[C@H]1CC(=O)[O-]	REAL300018555721	0	51	0.0	-62.23	405.75	9.51	-52.72
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)[C@H]1CC(=O)[O-]	REAL300018555722	0	51	0.0	-62.99	414.06	9.85	-53.14
CS(=O)C1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555723	0	51	0.0	-78.05	411.97	7.50	-70.55
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555724	0	48	0.0	-73.99	400.45	10.02	-63.97
CC(C)CCN1C=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555725	0	59	0.0	-62.76	446.75	11.29	-51.47
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)[C@H]1CC(=O)[O-]	REAL300018555726	0	53	0.0	-68.07	434.70	10.97	-57.10
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300018555727	0	56	0.0	-68.03	447.09	11.55	-56.48
CCC1=CC=C(C2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])O2)C=C1	REAL300018555728	0	59	0.0	-66.82	462.69	12.24	-54.58
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(OC(F)F)=C1	REAL300018555729	0	54	0.0	-68.12	427.13	7.83	-60.29
CCC1CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CCO1	REAL300018555730	0	53	0.0	-62.23	391.73	7.50	-54.73
CC(C)C1CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CCO1	REAL300018555731	0	56	0.0	-62.32	407.03	8.08	-54.24
CCN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018555732	0	59	0.0	-67.83	460.34	10.92	-56.91
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3CCCCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555733	0	56	0.0	-63.80	422.19	11.39	-52.41
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC(C3CCCCC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555734	0	65	0.0	-59.65	442.28	11.80	-47.85
CC(C)CC(C)CC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555735	0	60	0.0	-59.44	427.75	10.31	-49.13
CC1=CC=C(C(C)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555736	0	55	0.0	-63.11	417.18	10.88	-52.23
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1C(C)(C)C	REAL300018555737	0	62	0.0	-65.61	460.44	10.89	-54.72
COCC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300018555738	0	50	0.0	-66.31	396.29	6.93	-59.38
CC(C)(C)OC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555739	0	59	0.0	-64.41	440.28	10.04	-54.37
CC(C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCCCC1	REAL300018555740	0	58	0.0	-61.91	415.42	10.35	-51.56
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)[C@H]1CC(=O)[O-]	REAL300018555741	0	51	0.0	-77.73	413.76	3.86	-73.87
CCC(CC)(CC)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555742	0	57	0.0	-59.33	398.30	9.41	-49.92
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3=CC=CC(Cl)=C3C2)[C@H]1CC(=O)[O-]	REAL300018555743	0	53	0.0	-63.11	410.93	10.86	-52.25
CCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C)=C1	REAL300018555744	0	56	0.0	-65.31	425.91	9.76	-55.55
COC1=CC(C)=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555745	0	53	0.0	-59.82	409.08	8.93	-50.89
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CCC3=CC=CC=C3C2)[C@H]1CC(=O)[O-]	REAL300018555746	0	56	0.0	-66.91	419.26	11.34	-55.57
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)[C@H]1CC(=O)[O-]	REAL300018555747	0	48	0.0	-68.18	401.14	8.01	-60.17
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)[C@H]1CC(=O)[O-]	REAL300018555748	0	56	0.0	-66.77	422.40	11.18	-55.59
CC1=NC(C)=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])O1	REAL300018555749	0	48	0.0	-68.07	377.60	5.06	-63.01
COCC1=CSC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555750	0	50	0.0	-64.26	405.35	7.75	-56.51
CCCC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555751	0	52	0.0	-62.62	414.59	10.37	-52.25
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N=C1	REAL300018555752	0	48	0.0	-63.29	376.38	7.73	-55.56
CC(C)N1C=CN=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555753	0	52	0.0	-66.02	400.36	8.72	-57.30
CC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018555754	0	51	0.0	-75.92	397.41	10.03	-65.89
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1Br	REAL300018555755	0	49	0.0	-67.91	399.27	10.10	-57.81
COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1Cl	REAL300018555756	0	50	0.0	-71.01	405.30	8.76	-62.25
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555757	0	46	0.0	-63.74	371.63	8.66	-55.08
COC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555758	0	53	0.0	-59.00	404.74	8.78	-50.22
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C3OC=CC3=CC=C2)[C@H]1CC(=O)[O-]	REAL300018555759	0	49	0.0	-63.71	386.87	9.23	-54.48
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)[C@H]1CC(=O)[O-]	REAL300018555760	0	53	0.0	-66.44	418.85	10.03	-56.41
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C(F)(F)F)S2)[C@H]1CC(=O)[O-]	REAL300018555761	0	45	0.0	-73.35	385.60	7.31	-66.04
CC1CSCC1[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555762	0	47	0.0	-62.73	351.17	8.28	-54.45
CCC1=NN(C)C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555763	0	52	0.0	-68.06	403.38	8.02	-60.04
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NN3CCCCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555764	0	53	0.0	-63.19	404.56	8.24	-54.95
CCC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555765	0	52	0.0	-63.60	402.67	10.34	-53.26
COC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555766	0	46	0.0	-68.15	377.04	4.52	-63.63
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC3=CC=C(Cl)C=C3C2)[C@H]1CC(=O)[O-]	REAL300018555767	0	50	0.0	-67.68	395.31	10.35	-57.33
CC1=NC=CN=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555768	0	47	0.0	-65.91	366.11	5.75	-60.16
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555769	0	53	0.0	-60.39	387.18	9.43	-50.96
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=C(C=N2)OCCO3)[C@H]1CC(=O)[O-]	REAL300018555770	0	51	0.0	-66.42	399.40	6.26	-60.16
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C3C=CC(Cl)=CN23)[C@H]1CC(=O)[O-]	REAL300018555771	0	49	0.0	-70.25	403.38	9.86	-60.39
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2C[C@@H]3CC[C@@H](C3)C2)[C@H]1CC(=O)[O-]	REAL300018555772	0	53	0.0	-59.55	373.31	8.94	-50.61
CC1=CC=CN2C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=CN=C12	REAL300018555773	0	52	0.0	-70.79	408.10	9.95	-60.84
CCN1N=CN=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555774	0	48	0.0	-71.84	377.78	8.04	-63.80
CN1C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CN=C1Cl	REAL300018555775	0	46	0.0	-72.17	375.87	7.77	-64.40
CN1C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CN=C1Br	REAL300018555776	0	46	0.0	-72.08	380.16	7.79	-64.29
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555777	0	52	0.0	-74.06	418.88	8.80	-65.26
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)[C@H]1CC(=O)[O-]	REAL300018555778	0	46	0.0	-76.04	381.04	6.26	-69.78
CC1=CN=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N1C	REAL300018555779	0	49	0.0	-65.92	379.93	7.76	-58.16
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)[C@H]1CC(=O)[O-]	REAL300018555780	0	50	0.0	-71.92	397.89	8.92	-63.00
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)[C@H]1CC(=O)[O-]	REAL300018555781	0	50	0.0	-72.17	397.79	8.91	-63.26
CCOC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555782	0	52	0.0	-66.33	408.58	6.50	-59.83
CC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555783	0	49	0.0	-65.59	388.65	9.96	-55.63
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=NC=C3S2)[C@H]1CC(=O)[O-]	REAL300018555784	0	48	0.0	-70.41	392.09	8.66	-61.75
CC1=CC=CC2=NC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])N21	REAL300018555785	0	52	0.0	-68.92	397.13	9.73	-59.19
CC(CCC1=NNC2=CC=CC=C21)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555786	0	58	0.0	-66.35	443.84	9.64	-56.71
CCC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CC1(C)C	REAL300018555787	0	55	0.0	-57.72	390.39	9.37	-48.35
C=CCCCCCC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555788	0	58	0.0	-59.56	433.84	10.89	-48.67
C=CCCCCC(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555789	0	55	0.0	-60.31	409.25	9.98	-50.33
CC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555790	0	49	0.0	-67.06	397.64	10.07	-56.99
COCC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555791	0	53	0.0	-66.17	414.59	8.64	-57.53
COCC(CC(C)(C)C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555792	0	58	0.0	-55.97	417.13	8.31	-47.66
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)[C@H]1CC(=O)[O-]	REAL300018555793	0	51	0.0	-77.98	406.98	9.35	-68.63
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC2=CC=CN=C12	REAL300018555794	0	54	0.0	-71.90	421.12	10.09	-61.81
CC(C)C1CCCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300018555795	0	58	0.0	-59.31	407.94	10.22	-49.09
CC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])SN=N1	REAL300018555796	0	44	0.0	-73.60	358.68	6.05	-67.55
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1C	REAL300018555797	0	59	0.0	-66.28	452.70	10.68	-55.60
COC1=C(C)C=NC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1C	REAL300018555798	0	55	0.0	-63.20	422.15	7.71	-55.49
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555799	0	56	0.0	-63.38	433.32	10.53	-52.85
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCCC23CCCC3)[C@H]1CC(=O)[O-]	REAL300018555800	0	59	0.0	-56.80	403.29	10.63	-46.17
CCC1CCCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300018555801	0	55	0.0	-59.85	394.93	9.41	-50.44
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(S(C)(=O)=O)S2)[C@H]1CC(=O)[O-]	REAL300018555802	0	49	0.0	-76.52	412.58	5.59	-70.93
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(F)=C2N)[C@H]1CC(=O)[O-]	REAL300018555803	0	48	0.0	-66.58	375.73	7.04	-59.54
CC1CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CCN1CC1=CC=CC=C1	REAL300018555804	0	64	0.0	-61.43	459.32	9.59	-51.84
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C(F)F)C=C2)[C@H]1CC(=O)[O-]	REAL300018555805	0	49	0.0	-68.58	391.95	9.78	-58.80
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)[C@H]1CC(=O)[O-]	REAL300018555806	0	48	0.0	-73.30	398.98	6.89	-66.41
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=C2CCC3)[C@H]1CC(=O)[O-]	REAL300018555807	0	53	0.0	-63.38	403.98	10.73	-52.65
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C([N+](=O)[O-])=N1	REAL300018555808	0	48	0.0	-75.19	387.67	8.29	-66.90
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC(Cl)=CS2)[C@H]1CC(=O)[O-]	REAL300018555809	0	42	0.0	-66.02	361.72	6.48	-59.54
COC1=NSC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555810	0	46	0.0	-70.57	376.84	4.81	-65.76
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC=CC3=CC=CC=C32)[C@H]1CC(=O)[O-]	REAL300018555811	0	51	0.0	-65.28	397.29	9.19	-56.09
COC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555812	0	50	0.0	-56.02	401.78	8.68	-47.34
CC1=NC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N1C1=CC=CC=C1	REAL300018555813	0	56	0.0	-62.30	434.94	11.32	-50.98
CC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=NN1C	REAL300018555814	0	49	0.0	-67.34	379.10	7.17	-60.17
CCCN1N=C(C)C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1C	REAL300018555815	0	58	0.0	-67.42	443.71	9.28	-58.14
CCN(CC)C1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1F	REAL300018555816	0	60	0.0	-69.72	460.23	10.08	-59.64
CCOC1CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C12CCCC2	REAL300018555817	0	60	0.0	-58.82	440.43	9.92	-48.90
COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C(SC)C=C1OC	REAL300018555818	0	58	0.0	-64.09	454.13	9.04	-55.05
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555819	0	57	0.0	-67.84	435.35	11.46	-56.38
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC3CCC(C3)C2)[C@H]1CC(=O)[O-]	REAL300018555820	0	53	0.0	-59.73	372.47	8.90	-50.83
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC23CCCC3)[C@H]1CC(=O)[O-]	REAL300018555821	0	56	0.0	-58.04	394.42	10.21	-47.83
CCCC(C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300018555822	0	58	0.0	-62.82	437.02	11.54	-51.28
CC1CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018555823	0	62	0.0	-59.44	435.37	12.69	-46.75
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C3CC3)O2)[C@H]1CC(=O)[O-]	REAL300018555824	0	49	0.0	-67.84	388.68	6.21	-61.63
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555825	0	56	0.0	-61.79	434.09	9.88	-51.91
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(C(C)(C)C)C2)[C@H]1CC(=O)[O-]	REAL300018555826	0	55	0.0	-60.04	396.78	9.32	-50.72
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC3=CC=C(F)C=C3S2)[C@H]1CC(=O)[O-]	REAL300018555827	0	48	0.0	-66.53	397.90	8.43	-58.10
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(F)=CC=C2OC(F)F)[C@H]1CC(=O)[O-]	REAL300018555828	0	50	0.0	-67.32	404.06	8.61	-58.71
COC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC2=CC=CC=C21	REAL300018555829	0	56	0.0	-69.04	434.04	10.51	-58.53
CCOC1=CN=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555830	0	52	0.0	-68.89	406.06	7.31	-61.58
CCOC1=CC(F)=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555831	0	53	0.0	-68.36	417.27	9.20	-59.16
COC1=CC=C(C(C)C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555832	0	56	0.0	-65.85	425.26	9.49	-56.36
CN1N=C(C2CC2)C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555833	0	53	0.0	-71.14	411.85	8.56	-62.58
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3(CCCCC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555835	0	62	0.0	-60.77	426.72	10.76	-50.01
CC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C(C)C1=CC=CC=C1	REAL300018555836	0	55	0.0	-60.92	406.80	10.41	-50.51
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)[C@H]1CC(=O)[O-]	REAL300018555837	0	54	0.0	-68.68	412.97	9.97	-58.71
CC1CN(CC2=CC=CC=C2)CC1[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555838	0	61	0.0	-61.66	448.61	9.31	-52.35
COC1=CC=CC2=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=CC=C12	REAL300018555839	0	56	0.0	-67.72	429.25	10.40	-57.32
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=NN2CC2CC2)[C@H]1CC(=O)[O-]	REAL300018555840	0	53	0.0	-67.35	409.04	8.95	-58.40
CC(CCC1=CC=CN=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555841	0	54	0.0	-66.01	408.59	9.10	-56.91
CC(C)C1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555842	0	55	0.0	-63.70	420.10	10.83	-52.87
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(S(N)(=O)=O)O2)[C@H]1CC(=O)[O-]	REAL300018555843	0	48	0.0	-77.32	397.38	2.04	-75.28
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)[C@H]1CC(=O)[O-]	REAL300018555844	0	57	0.0	-66.01	435.55	11.77	-54.24
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555845	0	60	0.0	-63.69	415.90	8.28	-55.41
COC1=CN=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1C	REAL300018555846	0	52	0.0	-67.97	398.49	7.07	-60.90
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(Cl)=C2N)[C@H]1CC(=O)[O-]	REAL300018555847	0	48	0.0	-65.54	384.65	7.52	-58.02
CCC1=CNC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555848	0	49	0.0	-67.82	382.54	6.98	-60.84
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC2=CC=C(F)C=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555849	0	49	0.0	-65.65	400.40	10.12	-55.53
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CN=CC=C3O2)[C@H]1CC(=O)[O-]	REAL300018555850	0	48	0.0	-71.38	382.57	7.71	-63.67
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C(F)(F)F)S2)[C@H]1CC(=O)[O-]	REAL300018555851	0	46	0.0	-69.82	390.36	9.21	-60.61
CC1=C2C=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])NC2=CC=C1	REAL300018555852	0	53	0.0	-69.36	412.33	9.49	-59.87
CCOC1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555853	0	56	0.0	-62.49	409.85	8.10	-54.39
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CSC(C(F)(F)F)=C2)[C@H]1CC(=O)[O-]	REAL300018555854	0	46	0.0	-70.51	390.38	9.05	-61.46
CCCOC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C)=C1	REAL300018555855	0	59	0.0	-65.10	447.41	10.56	-54.54
CC1=C(C)NC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555856	0	49	0.0	-67.36	381.06	6.77	-60.59
COC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1OC1CC1	REAL300018555857	0	58	0.0	-71.68	449.59	9.80	-61.88
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3(CCCC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555858	0	59	0.0	-60.84	413.07	10.27	-50.57
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C(F)F)N=C2)[C@H]1CC(=O)[O-]	REAL300018555859	0	48	0.0	-73.75	387.79	8.03	-65.72
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3=CC=CC=C3CC2)[C@H]1CC(=O)[O-]	REAL300018555860	0	56	0.0	-63.50	407.67	10.72	-52.78
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC=C(Br)S2)[C@H]1CC(=O)[O-]	REAL300018555861	0	42	0.0	-65.12	366.44	6.79	-58.33
CCC1(C)CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555862	0	58	0.0	-60.20	403.88	9.52	-50.68
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC3=CC=CC=C3C2)[C@H]1CC(=O)[O-]	REAL300018555863	0	56	0.0	-61.72	409.80	10.80	-50.92
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C(F)F)=N1	REAL300018555864	0	49	0.0	-68.04	389.30	7.55	-60.49
CC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1CCCCCC1	REAL300018555865	0	58	0.0	-59.94	400.61	10.01	-49.93
CC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018555866	0	58	0.0	-61.80	445.02	11.25	-50.55
CCC1(CC)CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555867	0	61	0.0	-60.58	418.56	10.02	-50.56
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC3=C2CCOC3)[C@H]1CC(=O)[O-]	REAL300018555868	0	54	0.0	-66.23	406.31	8.87	-57.36
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2CC2C2=CC=C(F)C=C2)[C@H]1CC(=O)[O-]	REAL300018555869	0	53	0.0	-68.27	415.08	11.09	-57.18
CC(CC1=COC2=CC=CC=C12)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555870	0	55	0.0	-62.81	423.26	10.61	-52.20
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)[C@H]1CC(=O)[O-]	REAL300018555871	0	51	0.0	-75.79	414.05	3.86	-71.93
CCCN1N=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555872	0	52	0.0	-68.45	398.74	8.18	-60.27
CC1=CC=C2C=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])NC2=C1	REAL300018555873	0	53	0.0	-68.97	412.75	9.50	-59.47
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C3CCCN3N=C2)[C@H]1CC(=O)[O-]	REAL300018555874	0	50	0.0	-68.05	386.30	7.52	-60.53
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NN3CCCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555875	0	50	0.0	-64.37	386.50	7.42	-56.95
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC=C(C(F)(F)F)S2)[C@H]1CC(=O)[O-]	REAL300018555876	0	45	0.0	-67.81	385.30	7.23	-60.58
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(F)=C2OC(F)F)[C@H]1CC(=O)[O-]	REAL300018555877	0	50	0.0	-66.22	403.97	8.63	-57.59
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555878	0	54	0.0	-75.08	418.64	10.62	-64.46
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCCC(C3=CC=CC=C3)C2)[C@H]1CC(=O)[O-]	REAL300018555879	0	62	0.0	-62.47	448.74	12.20	-50.27
CC(C)C1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C1	REAL300018555880	0	55	0.0	-60.28	398.51	9.54	-50.74
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=CN=C3O2)[C@H]1CC(=O)[O-]	REAL300018555881	0	48	0.0	-72.89	382.33	6.38	-66.51
CC1=CC(C)=CC(C2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=C2)=C1	REAL300018555882	0	62	0.0	-66.95	476.79	13.65	-53.30
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC2C2=CC=C(Cl)C=C2)[C@H]1CC(=O)[O-]	REAL300018555883	0	56	0.0	-62.12	429.01	12.07	-50.05
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1N1C=NC=N1	REAL300018555884	0	55	0.0	-74.97	428.70	12.36	-62.61
CC1CCCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555885	0	55	0.0	-59.25	390.38	9.28	-49.97
CCC1CCCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CC1	REAL300018555886	0	58	0.0	-59.31	408.55	9.92	-49.39
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC(C)(C)CC2)[C@H]1CC(=O)[O-]	REAL300018555887	0	58	0.0	-60.00	406.90	9.70	-50.30
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC(C(C)(C)C)CC2)[C@H]1CC(=O)[O-]	REAL300018555888	0	64	0.0	-59.76	439.79	10.73	-49.03
CC1CC([NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])CCN1C	REAL300018555889	0	54	0.0	-60.38	381.96	5.88	-54.50
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC(F)=CC=C3O2)[C@H]1CC(=O)[O-]	REAL300018555890	0	49	0.0	-70.14	394.26	9.51	-60.63
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OCC(F)F)C=C2)[C@H]1CC(=O)[O-]	REAL300018555891	0	53	0.0	-71.02	424.14	9.46	-61.56
COCC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555892	0	53	0.0	-65.60	414.63	8.64	-56.96
CN(C)CC1=NC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CS1	REAL300018555893	0	53	0.0	-63.19	422.54	5.59	-57.60
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)[C@H]1CC(=O)[O-]	REAL300018555894	0	57	0.0	-67.47	460.15	13.00	-54.47
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C(OC(F)F)C=C1C	REAL300018555895	0	56	0.0	-64.34	436.06	9.75	-54.59
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555896	0	63	0.0	-64.13	467.93	9.80	-54.33
CC1=CC=C(CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555897	0	52	0.0	-64.47	402.41	10.37	-54.10
CCCCC(C)C(C)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555898	0	57	0.0	-58.46	413.06	9.92	-48.54
COC1=CC(C)=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1OC	REAL300018555899	0	57	0.0	-69.02	433.06	8.71	-60.31
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2C2CC2)[C@H]1CC(=O)[O-]	REAL300018555900	0	53	0.0	-62.22	402.81	10.90	-51.32
CC1=C(Br)C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555901	0	46	0.0	-64.54	391.51	9.37	-55.17
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC2=CC=C(F)C=C2F)[C@H]1CC(=O)[O-]	REAL300018555902	0	49	0.0	-66.38	393.30	9.80	-56.58
CC1=CC(CC[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC(C)=C1	REAL300018555903	0	55	0.0	-64.31	424.10	11.02	-53.29
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CNN=C2C2=CC=CC(Cl)=C2)[C@H]1CC(=O)[O-]	REAL300018555904	0	53	0.0	-72.76	432.59	9.29	-63.47
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCCC2C2=CC=CC=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555905	0	59	0.0	-58.62	447.47	12.12	-46.50
COC1=CC=C(CC(C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C)=C1OC	REAL300018555906	0	63	0.0	-67.04	466.31	9.80	-57.24
COC1=CC=C(N2C=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=N2)C=C1	REAL300018555907	0	57	0.0	-72.71	448.20	9.41	-63.30
CC(CCC1=CSC=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555908	0	52	0.0	-62.72	406.26	9.95	-52.77
COCCC1=CC=C(OCC(C)[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1	REAL300018555909	0	63	0.0	-64.85	481.46	9.66	-55.19
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C(F)C=NC=C2Br)[C@H]1CC(=O)[O-]	REAL300018555910	0	45	0.0	-60.71	378.19	7.66	-53.05
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)[C@H]1CC(=O)[O-]	REAL300018555911	0	59	0.0	-64.97	449.84	12.12	-52.85
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CNN=C2C2=CSC=C2)[C@H]1CC(=O)[O-]	REAL300018555912	0	50	0.0	-68.38	406.34	7.74	-60.64
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)[C@H]1CC(=O)[O-]	REAL300018555913	0	52	0.0	-72.72	415.90	7.14	-65.58
CC(CC1=CN(C)N=C1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555914	0	52	0.0	-63.74	394.47	7.81	-55.93
CN1N=CC2=CC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=CN=C21	REAL300018555915	0	51	0.0	-75.95	404.19	8.04	-67.91
CC(CCC1=CC=C(F)C=C1F)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555916	0	55	0.0	-64.60	428.56	11.14	-53.46
CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555917	0	56	0.0	-54.94	448.77	11.61	-43.33
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555918	1	66	0.0	-63.03	480.53	11.15	-51.88
COCC(CC1CCOCC1)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555919	0	60	0.0	-62.40	437.58	7.10	-55.30
CN1C=C(CCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=N1	REAL300018555920	0	52	0.0	-68.98	405.59	8.26	-60.72
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC2C2=CC=CC=C2Cl)[C@H]1CC(=O)[O-]	REAL300018555921	0	56	0.0	-57.17	419.55	11.89	-45.28
CN1CCN(C2=NC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=N2)CC1	REAL300018555922	0	61	0.0	-72.75	463.14	7.19	-65.56
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)[C@H]1CC(=O)[O-]	REAL300018555923	0	57	0.0	-65.09	445.87	12.22	-52.87
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555924	0	59	0.0	-68.68	455.63	10.23	-58.45
CC1CCC2=C(C1)SC(C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])=N2	REAL300018555925	0	55	0.0	-62.15	429.10	9.27	-52.88
CCC1=CN=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])S1	REAL300018555926	0	48	0.0	-62.19	388.14	7.63	-54.56
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(F)N=C2)[C@H]1CC(=O)[O-]	REAL300018555927	0	45	0.0	-74.67	361.03	7.07	-67.60
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2N2CCCCC2)[C@H]1CC(=O)[O-]	REAL300018555928	0	61	0.0	-58.65	453.73	10.92	-47.73
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3COCCC3C2)[C@H]1CC(=O)[O-]	REAL300018555929	0	57	0.0	-62.89	397.58	8.15	-54.74
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC3(C2)COC(C)(C)C3)[C@H]1CC(=O)[O-]	REAL300018555930	0	57	0.0	-64.83	422.72	8.40	-56.43
CC1CC2(CC([NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C2)CO1	REAL300018555931	0	54	0.0	-63.99	403.26	7.79	-56.20
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCOC3=CC=CC=C3C2)[C@H]1CC(=O)[O-]	REAL300018555932	0	54	0.0	-63.61	401.37	9.01	-54.60
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCCC3=C(C=CS3)C2)[C@H]1CC(=O)[O-]	REAL300018555933	0	53	0.0	-62.32	402.47	10.01	-52.31
CN1C=NC2=CC=CC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=C21	REAL300018555934	0	52	0.0	-71.59	394.20	9.95	-61.64
COC1=CC=C(C)C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555935	0	53	0.0	-64.08	404.09	8.82	-55.26
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NOC(C3CCC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555936	0	52	0.0	-65.27	405.04	9.16	-56.11
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NOC(C3(C)CC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555937	0	52	0.0	-65.29	407.54	9.07	-56.22
CCC1=CC=CC=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555938	0	52	0.0	-62.07	393.02	10.19	-51.88
CC1=CC(F)=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555939	0	49	0.0	-68.18	387.32	9.64	-58.54
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C)=C1C	REAL300018555940	0	55	0.0	-62.36	409.32	10.64	-51.72
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2C(C)(C)C)[C@H]1CC(=O)[O-]	REAL300018555941	0	58	0.0	-57.94	410.60	11.14	-46.80
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C3CCCCCN23)[C@H]1CC(=O)[O-]	REAL300018555942	0	56	0.0	-67.99	415.86	9.32	-58.67
COC1=CC=C2SC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=CC2=C1	REAL300018555943	0	53	0.0	-67.34	426.75	9.74	-57.60
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CON=C2C2CC2)[C@H]1CC(=O)[O-]	REAL300018555944	0	49	0.0	-70.84	388.03	8.52	-62.32
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NO2)[C@H]1CC(=O)[O-]	REAL300018555945	0	52	0.0	-74.64	414.52	10.07	-64.57
CCN1CCC2=CC(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])=CC=C21	REAL300018555946	0	58	0.0	-65.80	439.08	9.53	-56.27
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3(COC(C)(C)C3)CC2)[C@H]1CC(=O)[O-]	REAL300018555947	0	63	0.0	-65.09	441.00	9.01	-56.08
CSC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1Cl	REAL300018555948	0	50	0.0	-70.50	415.00	10.38	-60.12
CC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1C1CC1	REAL300018555949	0	56	0.0	-63.94	426.19	11.54	-52.40
COC1=CC=CC2=C1CCCC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C2	REAL300018555950	0	60	0.0	-63.74	437.69	10.20	-53.54
CCOC1=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=N1	REAL300018555951	0	52	0.0	-69.69	408.72	6.55	-63.14
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1C1CC1	REAL300018555952	0	56	0.0	-64.04	426.53	11.52	-52.52
CC1=NN(C2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C(C)=C2)C=C1	REAL300018555953	0	59	0.0	-71.63	454.89	11.30	-60.33
CC(C)CC1CCCC1[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555954	0	58	0.0	-59.02	421.12	10.32	-48.70
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(C3CCC3)C2)[C@H]1CC(=O)[O-]	REAL300018555955	0	53	0.0	-60.33	392.26	9.81	-50.52
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)[C@H]1CC(=O)[O-]	REAL300018555956	0	56	0.0	-69.43	432.06	5.36	-64.07
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NOC(C3CC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555957	0	49	0.0	-65.60	388.26	8.63	-56.97
CC1OC2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=C2C1C	REAL300018555958	0	57	0.0	-67.79	437.44	10.13	-57.66
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1OC(F)F	REAL300018555959	0	53	0.0	-64.72	419.10	9.24	-55.48
CC(C)C1=CC=C(O)C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555960	0	56	0.0	-63.40	427.67	8.22	-55.18
CC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])NN=C1C(F)(F)F	REAL300018555961	0	49	0.0	-75.49	397.25	6.85	-68.64
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3(CCC3)CC2)[C@H]1CC(=O)[O-]	REAL300018555962	0	56	0.0	-60.33	399.61	9.78	-50.55
CC1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C=C1O	REAL300018555963	0	50	0.0	-65.95	390.87	6.81	-59.14
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC(C3CC3)=CS2)[C@H]1CC(=O)[O-]	REAL300018555964	0	49	0.0	-63.13	395.62	8.14	-54.99
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN(CC3CC3)N=N2)[C@H]1CC(=O)[O-]	REAL300018555965	0	52	0.0	-71.00	409.35	7.81	-63.19
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3CCOC3=C2)[C@H]1CC(=O)[O-]	REAL300018555966	0	51	0.0	-67.18	395.41	8.75	-58.43
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NC3=C(CCCC3)N2)[C@H]1CC(=O)[O-]	REAL300018555967	0	53	0.0	-67.41	402.92	7.98	-59.43
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C3COCCC3=C2)[C@H]1CC(=O)[O-]	REAL300018555968	0	54	0.0	-66.43	413.48	9.00	-57.43
CC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555969	0	49	0.0	-60.47	382.00	9.44	-51.03
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC=C2C2CCC2)[C@H]1CC(=O)[O-]	REAL300018555970	0	56	0.0	-62.53	418.88	11.37	-51.16
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C2CCOCC2)=N1	REAL300018555971	0	60	0.0	-70.88	457.58	8.05	-62.83
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)[C@H]1CC(=O)[O-]	REAL300018555972	0	54	0.0	-72.46	424.06	8.76	-63.70
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC(COCC3=CC=CC=C3)C2)[C@H]1CC(=O)[O-]	REAL300018555973	0	60	0.0	-63.79	460.80	10.79	-53.00
CSC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=C1	REAL300018555974	0	50	0.0	-65.25	400.09	9.92	-55.33
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=NN2C(C)(C)C)[C@H]1CC(=O)[O-]	REAL300018555975	0	55	0.0	-65.95	406.64	8.51	-57.44
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CCC3=CC(Cl)=CC=C3C2)[C@H]1CC(=O)[O-]	REAL300018555976	0	53	0.0	-65.86	413.58	10.95	-54.91
CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC3C(C2)C3(C)C)[C@H]1CC(=O)[O-]	REAL300018555977	0	53	0.0	-60.01	381.94	9.28	-50.73
CC(C)C1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])N(C)N=C1	REAL300018555978	0	55	0.0	-69.47	421.93	8.40	-61.07
CCC([NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-])C(C)CC1=CC=CC=C1	REAL300018555979	0	61	0.0	-60.03	436.07	11.63	-48.40
CCN1C=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555980	0	49	0.0	-63.48	384.37	7.48	-56.00
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(CC3CC3)S2)[C@H]1CC(=O)[O-]	REAL300018555981	0	53	0.0	-62.80	424.88	11.15	-51.65
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)[C@H]1CC(=O)[O-]	REAL300018555982	0	54	0.0	-67.17	420.60	9.89	-57.28
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)[C@H]1CC(=O)[O-]	REAL300018555983	0	50	0.0	-66.39	411.08	8.71	-57.68
CC1=NC=CN1C1=CC=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C)=C1	REAL300018555984	0	59	0.0	-72.99	454.38	11.99	-61.00
CC1=C(C)N(C2=CC=C(C[NH2+][C@H]3C[C@@H](OC(C)(C)C)[C@@H]3CC(=O)[O-])C=C2)C=N1	REAL300018555985	0	59	0.0	-74.67	460.66	12.65	-62.02
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)[C@H]1CC(=O)[O-]	REAL300018555986	0	60	0.0	-64.73	454.44	12.93	-51.80
CC1=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])OC2=CC=C(F)C=C12	REAL300018555988	0	52	0.0	-69.17	414.67	10.14	-59.03
CC(CC1=CC=C(Cl)C=C1F)[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555989	0	52	0.0	-63.31	414.49	10.61	-52.70
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)[C@@H]1CC(=O)[O-]	REAL300018555990	0	56	0.0	-73.69	439.59	10.02	-63.67
CCCN1C=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555991	0	52	0.0	-63.39	405.86	8.24	-55.15
CC(C)N1C=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555992	0	52	0.0	-63.03	403.05	8.00	-55.03
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CN=CC(C(C)(C)C)=C2)[C@H]1CC(=O)[O-]	REAL300018555993	0	57	0.0	-68.11	431.17	9.41	-58.70
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)[C@H]1CC(=O)[O-]	REAL300018555994	0	49	0.0	-67.60	402.25	7.98	-59.62
CN1C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=NC2=C1CCCC2	REAL300018555995	0	56	0.0	-65.67	422.54	9.59	-56.08
CN1C=C(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])C(C(F)(F)F)=N1	REAL300018555996	0	49	0.0	-67.94	395.85	7.67	-60.27
CC1=CC=CC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=N1	REAL300018555997	0	48	0.0	-63.53	376.35	7.70	-55.83
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC3=CC=CC=C3C=N2)[C@H]1CC(=O)[O-]	REAL300018555998	0	51	0.0	-64.24	400.72	9.34	-54.90
COC1=NC(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)[C@@H]2CC(=O)[O-])=CC=C1C	REAL300018555999	0	52	0.0	-66.00	407.27	6.30	-59.70
CC(C)(C)O[C@@H]1C[C@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)[C@H]1CC(=O)[O-]	REAL300018556000	0	49	0.0	-66.28	398.36	9.84	-56.44
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(C)C(F)=C2)C=C1C(=O)[O-]	REAL300018556933	0	43	0.0	-81.19	349.34	10.23	-70.96
COC1=CC=C([C@H](C)[NH2+]C2CCCCC2(C)C)C=C1C(=O)[O-]	REAL300018556934	0	49	0.0	-71.98	348.51	9.92	-62.06
COC1=CC=C([C@H](C)[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])C=C1C(=O)[O-]	REAL300018556936	0	42	0.0	-75.13	356.06	10.49	-64.64
COC1=CC=C([C@H](C)[NH2+]C(C)CCC=C(C)C)C=C1C(=O)[O-]	REAL300018556937	0	49	0.0	-75.32	372.36	10.55	-64.77
COC1=CC=C([C@H](C)[NH2+]C2CC(C)(C)CC(C)(C)C2)C=C1C(=O)[O-]	REAL300018556938	0	55	0.0	-76.47	392.66	10.82	-65.65
COC1=CC=C([C@H](C)[NH2+]C(C)CCC2=CNC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018556939	0	53	0.0	-79.99	408.89	11.43	-68.56
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C=C1C(=O)[O-]	REAL300018556940	0	48	0.0	-77.44	397.22	9.29	-68.15
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C=C1C(=O)[O-]	REAL300018556941	0	47	0.0	-81.46	389.98	12.14	-69.32
COC1=CC=C([C@H](C)[NH2+]CC2=CC3=CC=CC=C3S2)C=C1C(=O)[O-]	REAL300018556942	0	43	0.0	-80.52	360.01	11.05	-69.47
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(OC(C)C)C=C2)C=C1C(=O)[O-]	REAL300018556943	0	50	0.0	-81.00	391.91	10.37	-70.63
CCCCCCCOC1=CC=C(C[NH2+][C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1	REAL300018556944	0	62	0.0	-80.21	481.48	13.67	-66.54
COC1=CC=C([C@H](C)[NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C=C1C(=O)[O-]	REAL300018556945	0	61	0.0	-79.44	455.60	13.87	-65.57
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(F)C(C)=C2)C=C1C(=O)[O-]	REAL300018556946	0	43	0.0	-83.66	349.34	10.22	-73.44
COC1=CC=C([C@H](C)[NH2+]C2CC(C)CCC2C)C=C1C(=O)[O-]	REAL300018556947	0	49	0.0	-72.47	352.93	10.35	-62.12
COC1=CC=C([C@H](C)[NH2+]CC2=C3NC=CC3=CC=C2)C=C1C(=O)[O-]	REAL300018556948	0	44	0.0	-79.62	353.98	9.51	-70.11
COC1=CC=C([C@H](C)[NH2+]CC2=CSC([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300018556949	1	39	0.0	-95.27	342.68	9.32	-85.95
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC=C2N2CCOCC2)C=C1C(=O)[O-]	REAL300018556950	0	53	0.0	-75.35	407.21	9.08	-66.27
COC1=CC=C([C@H](C)[NH2+]C2CC(C)CC(C)C2)C=C1C(=O)[O-]	REAL300018556951	0	49	0.0	-75.93	356.19	9.86	-66.07
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(CC(C)C)C=C2)C=C1C(=O)[O-]	REAL300018556952	0	52	0.0	-77.80	403.77	12.20	-65.60
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C=C1C(=O)[O-]	REAL300018556953	0	53	0.0	-81.27	418.24	13.60	-67.67
COC1=CC=C([C@H](C)[NH2+]CC2=CC(C)=CC(C)=C2)C=C1C(=O)[O-]	REAL300018556954	0	46	0.0	-77.79	365.43	10.84	-66.95
COC1=CC=C(Br)C(C[NH2+][C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)=C1	REAL300018556955	0	44	0.0	-74.49	367.51	9.39	-65.10
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C=C1C(=O)[O-]	REAL300018556956	0	46	0.0	-98.12	378.14	10.25	-87.87
COC1=CC=C([C@H](C)[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C=C1C(=O)[O-]	REAL300018556957	0	40	0.0	-83.55	356.08	10.53	-73.02
COC1=CC=C([C@H](C)[NH2+]CC2=C(C)C=CC=C2C)C=C1C(=O)[O-]	REAL300018556958	0	46	0.0	-75.74	355.80	10.58	-65.16
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C=C1C(=O)[O-]	REAL300018556959	0	53	0.0	-80.88	418.67	13.60	-67.28
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(OC(F)F)=C2)C=C1C(=O)[O-]	REAL300018556960	0	44	0.0	-82.94	361.87	9.10	-73.84
CCOC1=CC=C(C[NH2+][C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)C=C1OCC	REAL300018556961	0	54	0.0	-84.64	425.07	10.56	-74.08
COC1=CC=C([C@H](C)[NH2+]C2CCC(C(C)C)CC2)C=C1C(=O)[O-]	REAL300018556962	0	52	0.0	-75.43	371.02	10.84	-64.59
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018556963	0	43	0.0	-90.00	374.51	10.93	-79.07
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(F)C=C2Br)C=C1C(=O)[O-]	REAL300018556964	1	40	0.0	-75.48	345.30	10.13	-65.35
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C=C1C(=O)[O-]	REAL300018556965	0	43	0.0	-91.42	362.22	8.62	-82.80
COC1=CC=C([C@H](C)[NH2+]CC2=CC=NC3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018556966	0	45	0.0	-85.07	359.06	9.77	-75.30
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C=C1C(=O)[O-]	REAL300018556967	0	44	0.0	-82.71	368.62	9.31	-73.40
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C=C1C(=O)[O-]	REAL300018556968	0	46	0.0	-90.70	383.33	7.04	-83.66
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C=C1C(=O)[O-]	REAL300018556969	0	54	0.0	-81.71	430.83	12.58	-69.13
COC1=CC=C([C@H](C)[NH2+]C(C)CCOCC2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018556970	0	53	0.0	-77.84	414.06	10.85	-66.99
COC1=CC=C([C@H](C)[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C=C1C(=O)[O-]	REAL300018556971	0	47	0.0	-83.20	380.09	11.65	-71.55
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C=C1C(=O)[O-]	REAL300018556972	0	50	0.0	-82.38	413.56	13.45	-68.93
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C=C1C(=O)[O-]	REAL300018556973	0	50	0.0	-83.01	413.56	13.44	-69.57
COC1=CC=C([C@H](C)[NH2+]C(C)CCCC(C)C)C=C1C(=O)[O-]	REAL300018556974	0	51	0.0	-75.01	380.69	10.61	-64.40
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(OC)C3=CC=CC=C23)C=C1C(=O)[O-]	REAL300018556975	0	50	0.0	-80.80	391.94	11.01	-69.79
CCC1=CC=C(C[NH2+][C@@H](C)C2=CC=C(OC)C(C(=O)[O-])=C2)S1	REAL300018556976	0	43	0.0	-77.07	356.21	10.20	-66.87
COC1=CC=C([C@H](C)[NH2+]CC2=NC3=CC=CC=C3N2C)C=C1C(=O)[O-]	REAL300018556977	0	46	0.0	-85.07	369.88	9.88	-75.19
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C3OCCC3=C2)C=C1C(=O)[O-]	REAL300018556978	0	45	0.0	-82.52	358.51	9.36	-73.16
COC1=CC=C([C@H](C)[NH2+]CC2=CSC(Br)=C2)C=C1C(=O)[O-]	REAL300018556979	0	37	0.0	-82.14	334.28	9.19	-72.95
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)C=C1C(=O)[O-]	REAL300018556980	0	53	0.0	-76.24	427.36	11.09	-65.15
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C=C1C(=O)[O-]	REAL300018556981	0	53	0.0	-75.74	427.36	11.08	-64.66
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(N3CCCC3)N=C2)C=C1C(=O)[O-]	REAL300018556982	0	51	0.0	-83.32	396.54	9.43	-73.89
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C=C1C(=O)[O-]	REAL300018556983	0	48	0.0	-91.90	396.21	6.23	-85.67
COC1=CC=C([C@H](C)[NH2+]CC2=C3C=CNC3=CC=C2)C=C1C(=O)[O-]	REAL300018556984	0	44	0.0	-76.44	353.80	9.53	-66.91
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C3C=CNC3=C2)C=C1C(=O)[O-]	REAL300018556985	0	44	0.0	-81.41	353.98	9.55	-71.86
COC1=CC=C([C@H](C)[NH2+]CC2=CC(C)=NN2C)C=C1C(=O)[O-]	REAL300018556986	0	43	0.0	-83.50	345.18	7.67	-75.83
COC1=CC=C([C@H](C)[NH2+]C(C)CC2=CC=CS2)C=C1C(=O)[O-]	REAL300018556987	0	43	0.0	-78.46	345.43	9.65	-68.81
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C=C1C(=O)[O-]	REAL300018556988	0	43	0.0	-79.02	362.19	8.59	-70.43
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(F)C=C2C)C=C1C(=O)[O-]	REAL300018556989	0	43	0.0	-81.52	343.82	10.20	-71.32
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C=C1C(=O)[O-]	REAL300018556990	0	54	0.0	-80.47	413.22	11.34	-69.13
COC1=CC=C([C@H](C)[NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C=C1C(=O)[O-]	REAL300018556991	0	55	0.0	-74.47	401.65	12.42	-62.05
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC=C2N(C)C)C=C1C(=O)[O-]	REAL300018556992	0	48	0.0	-72.00	373.85	9.52	-62.48
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C=C1C(=O)[O-]	REAL300018556993	0	49	0.0	-82.68	391.85	11.16	-71.52
COC1=CC=C([C@H](C)[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C=C1C(=O)[O-]	REAL300018556994	0	49	0.0	-84.95	392.04	11.17	-73.78
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C=C1C(=O)[O-]	REAL300018556995	1	57	0.0	-79.77	431.84	8.23	-71.54
COC1=CC=C([C@H](C)[NH2+]CC2=C(N3CCOCC3)N(C)N=C2C)C=C1C(=O)[O-]	REAL300018556996	0	56	0.0	-78.40	426.82	7.05	-71.35
COC1=CC=C([C@H](C)[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C=C1C(=O)[O-]	REAL300018556997	0	49	0.0	-85.88	403.95	8.01	-77.87
COC1=CC=C([C@H](C)[NH2+]C2CCN(C3=CN=CC=N3)CC2)C=C1C(=O)[O-]	REAL300018556998	0	50	0.0	-82.94	382.25	7.33	-75.61
COC1=CC=C([C@H](C)[NH2+]C2CCN(CC3=CC=CC=N3)CC2)C=C1C(=O)[O-]	REAL300018556999	0	54	0.0	-79.22	409.02	8.42	-70.80
COC1=CC=C([C@H](C)[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C=C1C(=O)[O-]	REAL300018557000	0	47	0.0	-85.77	387.86	10.80	-74.97
CC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1F	REAL300018560921	0	50	0.0	-77.49	399.22	12.12	-65.37
O=C([O-])CCCCCCCCC[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018560923	0	49	0.0	-75.63	409.09	12.49	-63.14
CC1(C)CC([NH2+]CCCCCCCCCC(=O)[O-])CC(C)(C)C1	REAL300018560924	0	62	0.0	-71.95	442.44	12.71	-59.24
O=C([O-])CCCCCCCCC[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018560925	0	54	0.0	-78.96	431.11	13.56	-65.40
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560926	0	60	0.0	-76.28	461.38	13.59	-62.69
COC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C(Cl)=C1OC	REAL300018560927	0	55	0.0	-76.93	447.12	11.19	-65.74
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018560928	0	54	0.0	-77.34	439.87	14.03	-63.31
O=C([O-])CCCCCCCCC[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018560929	0	50	0.0	-75.49	409.89	12.95	-62.54
CC(C)OC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1	REAL300018560930	0	57	0.0	-76.21	441.78	12.26	-63.95
CCCCCCCOC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1	REAL300018560931	0	69	0.0	-76.19	531.36	15.56	-60.63
CC(C[NH2+]CCCCCCCCCC(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018560932	0	68	0.0	-73.96	505.42	15.77	-58.19
CC1=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=CC=C1F	REAL300018560933	0	50	0.0	-79.15	399.23	12.11	-67.04
O=C([O-])CCCCCCCCC[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018560934	0	51	0.0	-76.75	403.87	11.41	-65.34
O=C([O-])CCCCCCCCC[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018560935	0	46	0.0	-89.02	392.56	11.21	-77.81
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018560936	0	60	0.0	-73.35	457.07	10.97	-62.38
CC(C)CC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1	REAL300018560937	0	59	0.0	-73.11	453.66	14.09	-59.02
CC1=CC=C(C2=CC=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=C2)C=C1	REAL300018560938	0	60	0.0	-77.05	468.13	15.49	-61.56
CC1=CC(C)=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=C1	REAL300018560939	0	53	0.0	-73.57	415.32	12.73	-60.84
COC1=CC=C(Br)C(C[NH2+]CCCCCCCCCC(=O)[O-])=C1	REAL300018560940	0	51	0.0	-70.26	417.40	11.29	-58.97
COC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1[N+](=O)[O-]	REAL300018560941	0	53	0.0	-91.36	428.03	12.14	-79.22
O=C([O-])CCCCCCCCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018560942	0	47	0.0	-79.13	405.97	12.42	-66.71
CC1=CC=CC(C)=C1C[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560943	0	53	0.0	-73.05	405.66	12.48	-60.57
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=C1	REAL300018560944	0	60	0.0	-76.22	468.57	15.49	-60.73
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018560945	0	51	0.0	-78.82	411.77	10.99	-67.83
CCOC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1OCC	REAL300018560946	0	61	0.0	-80.50	474.96	12.45	-68.05
CC(C)C1CCC([NH2+]CCCCCCCCCC(=O)[O-])CC1	REAL300018560947	0	59	0.0	-70.08	420.84	12.74	-57.34
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018560948	0	50	0.0	-84.10	424.40	12.82	-71.28
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(F)C=C1Br	REAL300018560949	0	47	0.0	-74.85	395.20	12.03	-62.82
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018560950	0	50	0.0	-85.57	412.11	10.51	-75.06
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018560951	0	52	0.0	-82.99	408.95	11.67	-71.32
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018560952	0	51	0.0	-78.70	418.51	11.20	-67.50
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1	REAL300018560953	0	53	0.0	-86.34	433.19	8.93	-77.41
COC1=CC=CC=C1C1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1	REAL300018560954	0	61	0.0	-77.08	480.72	14.47	-62.61
CC(CCOCC1=CC=CC=C1)[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560955	0	60	0.0	-73.56	463.50	12.82	-60.74
O=C([O-])CCCCCCCCC[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018560956	0	54	0.0	-77.50	432.96	13.71	-63.79
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018560957	0	57	0.0	-77.82	463.45	15.34	-62.48
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018560958	0	57	0.0	-78.68	463.45	15.33	-63.35
COC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C2=CC=CC=C12	REAL300018560959	0	57	0.0	-78.65	441.83	12.90	-65.75
CCC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])S1	REAL300018560960	0	50	0.0	-72.04	406.10	12.09	-59.95
CN1C2=CC=CC=C2N=C1C[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560961	0	53	0.0	-80.40	418.92	11.75	-68.65
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C2OCCC2=C1	REAL300018560962	0	52	0.0	-78.21	408.40	11.24	-66.97
O=C([O-])CCCCCCCCC[NH2+]CC1=CSC(Br)=C1	REAL300018560963	0	44	0.0	-76.84	384.16	11.08	-65.76
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018560964	0	60	0.0	-73.37	477.24	12.99	-60.38
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018560965	0	60	0.0	-72.80	477.20	12.98	-59.82
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018560966	0	58	0.0	-78.38	446.43	11.32	-67.06
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=C1	REAL300018560967	0	55	0.0	-89.60	449.81	8.02	-81.58
O=C([O-])CCCCCCCCC[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018560968	0	51	0.0	-72.88	403.68	11.43	-61.45
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018560969	0	51	0.0	-76.83	403.88	11.43	-65.40
CC(CC1=CC=CS1)[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560970	0	50	0.0	-67.95	397.63	11.87	-56.08
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018560971	0	50	0.0	-78.14	412.07	10.50	-67.64
CC1=CC(F)=CC=C1C[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560972	0	50	0.0	-78.27	393.69	12.11	-66.16
CC1(C)CCC2=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=CC=C2O1	REAL300018560973	0	61	0.0	-76.65	463.13	13.23	-63.42
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560974	0	62	0.0	-72.11	452.01	14.35	-57.76
CN(C)C1=CC=CC=C1C[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560975	0	55	0.0	-69.64	425.07	11.42	-58.22
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018560976	0	56	0.0	-78.66	441.74	13.05	-65.61
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018560977	0	56	0.0	-80.70	441.92	13.06	-67.64
CN1CCN(C2=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C2)CC1	REAL300018560978	1	64	0.0	-75.16	481.73	10.11	-65.05
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560979	0	63	0.0	-75.52	476.72	8.95	-66.57
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018560980	0	56	0.0	-81.63	453.84	9.90	-71.73
O=C([O-])CCCCCCCCC[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018560981	0	57	0.0	-78.45	432.40	9.24	-69.21
O=C([O-])CCCCCCCCC[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018560982	0	62	0.0	-73.68	480.49	12.32	-61.36
O=C([O-])CCCCCCCCC[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018560983	0	62	0.0	-72.81	480.14	12.42	-60.39
O=C([O-])CCCCCCCCC[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018560984	0	61	0.0	-74.82	460.10	10.14	-64.68
O=C([O-])CCCCCCCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018560985	0	54	0.0	-81.89	437.75	12.69	-69.20
O=C([O-])CCCCCCCCC[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018560986	0	54	0.0	-81.26	448.07	13.14	-68.12
CC(C)(C)N1C=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=N1	REAL300018560987	0	56	0.0	-75.79	435.27	11.23	-64.56
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018560988	0	54	0.0	-79.72	443.44	12.10	-67.62
O=C([O-])CCCCCCCCC[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018560990	0	51	0.0	-76.80	427.14	11.56	-65.24
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018560991	0	54	0.0	-76.33	457.09	14.70	-61.63
O=C([O-])CCCCCCCCC[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300018560992	0	57	0.0	-83.13	454.54	9.93	-73.20
COC1=CC=CC(C2=NNC=C2C[NH2+]CCCCCCCCCC(=O)[O-])=C1	REAL300018560993	0	58	0.0	-79.55	457.96	10.56	-68.99
O=C([O-])CCCCCCCCC[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018560994	0	57	0.0	-82.12	441.53	11.29	-70.83
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018560995	0	60	0.0	-80.15	478.65	12.93	-67.22
O=C([O-])CCCCCCCCC[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018560996	0	60	0.0	-77.98	476.54	12.99	-64.99
CC(C)C1=NN(C)C=C1C[NH2+]CCCCCCCCCC(=O)[O-]	REAL300018560998	0	56	0.0	-77.80	437.72	11.05	-66.75
COCCOC1=CC=CC(C[NH2+]CCCCCCCCCC(=O)[O-])=C1	REAL300018560999	0	58	0.0	-76.22	457.49	10.90	-65.32
COC1=CC=C(C[NH2+]CCCCCCCCCC(=O)[O-])C=C1Cl	REAL300018561000	0	51	0.0	-79.60	418.04	11.26	-68.34
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(N2CCCC2)[NH+]=C1	REAL300018562239	1	44	0.0	-63.63	365.75	9.00	-54.63
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC2CC2)CC1	REAL300018562285	0	45	0.0	-68.04	358.22	10.58	-57.46
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[NH+](CC(C)C)CC1	REAL300018562290	0	47	0.0	-67.24	365.50	10.47	-56.77
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[NH+](C(C)(C)C)CC1	REAL300018562294	0	47	0.0	-64.36	356.04	9.79	-54.57
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC(C)(C)[NH+]1CCOCC1	REAL300018562344	1	45	0.0	-67.08	344.57	7.77	-59.31
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[N@@H+]2CCCC2C1	REAL300018562466	0	42	0.0	-68.52	328.54	9.64	-58.88
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[N@H+]2CCCC2C1	REAL300018562466	1	42	0.0	-65.37	332.00	9.51	-55.86
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[N@H+](C)C(C)C1	REAL300018562512	0	41	0.0	-66.89	318.58	8.49	-58.40
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CC[N@@H+](C)C(C)C1	REAL300018562512	1	41	0.0	-66.77	318.44	8.48	-58.29
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC=C(CC[NH+](C)C)C=C1	REAL300018562581	0	47	0.0	-77.19	390.17	11.71	-65.48
CC1=C(Br)C=C(C(=O)[O-])C=C1NCC1=CC2=C[NH+]=CC=C2N1	REAL300018562630	0	36	0.0	-69.71	319.38	7.60	-62.11
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC[N@@H+](C(C)(C)C)C1	REAL300018562646	0	47	0.0	-64.88	355.79	9.74	-55.14
CC1=C(Br)C=C(C(=O)[O-])C=C1NC1CCC[N@H+](C(C)(C)C)C1	REAL300018562646	1	47	0.0	-64.87	355.91	9.75	-55.12
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300018562668	0	45	0.0	-49.85	361.13	9.04	-40.81
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Cl)=CC2=C1OCC2	REAL300018562669	0	44	0.0	-35.28	338.13	9.00	-26.28
COC1=CC=C(OC2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])C=C2)C=C1	REAL300018562670	0	54	0.0	-44.02	403.40	10.82	-33.20
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2=CC=CN=C2)N=N1	REAL300018562671	0	47	0.0	-53.60	358.64	7.21	-46.39
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(C2=CC=C(Cl)C(Cl)=C2)N=N1	REAL300018562672	0	45	0.0	-49.35	370.45	9.45	-39.90
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300018562673	0	46	0.0	-46.13	364.93	9.39	-36.74
CC1(C(=O)[O-])CCCCC1[NH2+]CC=CC1=CC=C(F)C=C1F	REAL300018562674	0	43	0.0	-40.17	324.26	10.20	-29.97
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=C(Br)C=CS1	REAL300018562675	0	36	0.0	-33.32	293.01	8.28	-25.04
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Br)=CC2=C1OCC2	REAL300018562676	0	44	0.0	-35.28	342.69	9.11	-26.17
CC(C)C1=CC=C(CC[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562677	0	51	0.0	-37.48	367.38	11.35	-26.13
CC1=CN2C=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])N=C2C=C1	REAL300018562678	0	45	0.0	-47.43	336.14	9.77	-37.66
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300018562679	0	45	0.0	-40.81	367.39	10.18	-30.63
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300018562680	0	58	0.0	-42.56	424.83	12.14	-30.42
CN(C)CC1=CN=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562681	0	46	0.0	-39.07	346.44	5.41	-33.66
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018562682	0	49	0.0	-46.20	382.82	10.87	-35.33
CC1=CC=CC=C1N1C=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])N=N1	REAL300018562683	0	48	0.0	-47.77	361.83	9.42	-38.35
COCCOCC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562684	0	53	0.0	-41.58	396.19	8.62	-32.96
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2CCCC2)C=C1	REAL300018562685	0	52	0.0	-37.29	369.80	11.87	-25.42
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC(F)F)N=C1	REAL300018562686	0	42	0.0	-47.60	321.47	7.66	-39.94
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2CCC2)C=C1	REAL300018562687	0	49	0.0	-36.02	347.06	11.39	-24.63
CC1=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300018562688	0	49	0.0	-40.07	366.53	10.58	-29.49
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=NN1C1CCCC1	REAL300018562689	0	49	0.0	-42.20	350.74	9.21	-32.99
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562690	0	49	0.0	-43.34	365.63	10.42	-32.92
CC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1C(F)(F)F	REAL300018562691	0	45	0.0	-42.11	337.41	10.19	-31.92
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=NN1C1=CC=CC=C1	REAL300018562692	0	45	0.0	-48.10	335.73	8.22	-39.88
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018562693	0	49	0.0	-44.72	380.85	9.01	-35.71
COC1=CC=C(C2=CC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300018562694	0	55	0.0	-50.71	421.71	7.65	-43.06
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C2OCCOC2=C1	REAL300018562695	0	45	0.0	-44.14	328.95	7.85	-36.29
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(Br)=C1	REAL300018562696	0	39	0.0	-37.77	304.28	9.29	-28.48
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562697	0	47	0.0	-44.58	343.20	7.89	-36.69
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC=C1C(F)(F)F	REAL300018562698	0	42	0.0	-41.77	308.31	9.41	-32.36
CCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562699	0	50	0.0	-44.43	365.06	8.81	-35.62
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300018562700	0	46	0.0	-38.30	351.25	10.66	-27.64
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Br)=CS1	REAL300018562701	0	36	0.0	-40.08	299.48	8.34	-31.74
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018562702	0	45	0.0	-45.11	359.03	9.48	-35.63
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2C=CC=N2)C=C1	REAL300018562703	0	46	0.0	-42.91	344.00	9.86	-33.05
COC1=NC2=CC=CC=C2C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562704	0	48	0.0	-48.03	358.66	7.62	-40.41
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300018562705	0	42	0.0	-41.23	338.39	10.08	-31.15
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300018562706	0	42	0.0	-43.06	327.30	9.73	-33.33
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Cl)=CC=C1Cl	REAL300018562707	0	39	0.0	-40.47	316.39	9.60	-30.87
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(F)C=C1C(F)(F)F	REAL300018562708	0	42	0.0	-35.26	320.87	9.80	-25.46
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300018562709	0	42	0.0	-42.81	330.75	9.74	-33.07
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(F)=CC=C1Br	REAL300018562710	0	39	0.0	-40.29	309.64	9.27	-31.02
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1	REAL300018562711	0	45	0.0	-42.08	359.80	10.75	-31.33
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300018562712	0	48	0.0	-35.92	353.73	10.62	-25.30
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562713	0	54	0.0	-40.61	375.58	9.26	-31.35
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1	REAL300018562714	0	42	0.0	-42.02	345.63	10.28	-31.74
CC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(Br)=C1	REAL300018562715	0	42	0.0	-38.41	322.01	9.88	-28.53
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=NC=CC=C1C(F)(F)F	REAL300018562716	0	41	0.0	-33.21	309.49	7.71	-25.50
COC1=CC=C2OC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CC2=C1	REAL300018562717	0	46	0.0	-40.83	340.35	8.48	-32.35
CC1=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C2=CC=CC=C2O1	REAL300018562718	0	45	0.0	-38.44	333.06	9.75	-28.69
CC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1Br	REAL300018562719	0	42	0.0	-38.61	323.95	9.88	-28.73
CC1=CN2C(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CN=C2C=C1	REAL300018562720	0	45	0.0	-45.00	330.89	9.74	-35.26
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C2C=CSC2=C1	REAL300018562721	0	41	0.0	-41.24	313.88	8.22	-33.02
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562722	0	45	0.0	-47.42	349.61	9.51	-37.91
CC1=CC(Cl)=CC(C)=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562723	0	45	0.0	-37.52	335.18	10.21	-27.31
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC(F)F)C(F)=C1	REAL300018562724	0	43	0.0	-46.37	329.94	8.34	-38.03
CC1=NN2C(=NC(C)=C2C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562725	0	44	0.0	-41.69	342.15	7.78	-33.91
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300018562726	0	53	0.0	-44.63	405.47	11.97	-32.66
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562727	0	45	0.0	-49.56	346.20	9.54	-40.02
CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018562728	0	45	0.0	-39.18	345.08	10.52	-28.66
COC1=CC(Cl)=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1Cl	REAL300018562729	0	43	0.0	-37.85	345.99	8.91	-28.94
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018562730	0	48	0.0	-37.47	360.60	10.33	-27.14
CC1(C(=O)[O-])CCCCC1[NH2+]CC1CCOC2=CC=CC=C21	REAL300018562731	0	47	0.0	-39.56	333.44	8.99	-30.57
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562732	0	61	0.0	-37.18	434.94	12.63	-24.55
CC1(C)CCC2=C(C1)SC(C[NH2+]C1CCCCC1(C)C(=O)[O-])=N2	REAL300018562733	0	51	0.0	-34.13	369.86	9.30	-24.83
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2CCCO2)S1	REAL300018562734	0	46	0.0	-42.01	346.73	6.91	-35.10
COC1=C(Br)C=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562735	0	40	0.0	-42.14	331.01	7.80	-34.34
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=CC(Br)=C1	REAL300018562736	0	38	0.0	-41.63	299.16	7.50	-34.13
CCN1N=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C2=CC=CC=C21	REAL300018562737	0	48	0.0	-42.53	357.41	9.42	-33.11
CC1(C(=O)[O-])CCCCC1[NH2+]CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300018562738	0	51	0.0	-42.91	390.95	11.94	-30.97
CCSC1=CC=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C1	REAL300018562739	0	46	0.0	-36.99	344.67	10.53	-26.46
CC1(C(=O)[O-])CCCCC1[NH2+]CCSCC1=CC=CC=C1	REAL300018562740	0	46	0.0	-39.50	353.92	10.72	-28.78
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562741	0	52	0.0	-40.11	385.18	9.63	-30.48
CC1(C(=O)[O-])CCCCC1[NH2+]CCCC1=CC=C2OCCC2=C1	REAL300018562742	0	50	0.0	-42.75	364.54	10.03	-32.72
COC1=C(Br)C=CC=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562743	0	43	0.0	-43.98	332.85	8.74	-35.24
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018562744	0	49	0.0	-46.61	375.93	10.40	-36.21
CC1(C(=O)[O-])CCCCC1[NH2+]CCCC1=C(F)C=CC=C1Cl	REAL300018562745	0	45	0.0	-35.47	343.67	10.81	-24.66
CC1=NC2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])C=C2C=C1	REAL300018562746	0	47	0.0	-44.12	344.72	9.71	-34.41
CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300018562747	0	45	0.0	-39.23	340.51	10.41	-28.82
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Br)O1	REAL300018562748	0	36	0.0	-35.21	284.45	7.60	-27.61
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562749	0	45	0.0	-40.24	339.52	10.29	-29.95
COC1=CC=C2N=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])SC2=C1	REAL300018562750	0	45	0.0	-41.05	349.42	7.42	-33.63
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Br)=C(Cl)S1	REAL300018562751	0	36	0.0	-42.70	315.50	8.91	-33.79
CCN(C)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=N1	REAL300018562752	0	49	0.0	-40.22	352.47	9.53	-30.69
COCCN(C)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=N1	REAL300018562753	0	53	0.0	-39.91	383.84	8.71	-31.20
CC(C)N(C)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=N1	REAL300018562754	0	52	0.0	-40.01	368.74	10.01	-30.00
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OCC2CC2)C=C1	REAL300018562755	0	50	0.0	-39.29	368.67	10.46	-28.83
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=NC=CN1C1=CC=CC=C1	REAL300018562756	0	46	0.0	-37.03	344.15	10.23	-26.80
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Cl)C(Br)=C1	REAL300018562757	0	39	0.0	-44.90	320.58	9.76	-35.14
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Br)C2=CC=CN=C12	REAL300018562759	0	44	0.0	-36.74	346.11	9.65	-27.09
COC1=CC(Br)=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1O	REAL300018562760	0	44	0.0	-43.06	343.42	6.33	-36.73
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC2=CC=CC=C2)O1	REAL300018562761	0	47	0.0	-38.30	348.78	10.51	-27.79
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562762	0	53	0.0	-35.10	387.90	11.43	-23.67
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(SC(F)F)C=C1	REAL300018562763	0	43	0.0	-42.24	335.46	9.92	-32.32
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(SC2=CC=CC=N2)O1	REAL300018562764	0	46	0.0	-43.49	361.73	9.81	-33.68
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300018562765	0	50	0.0	-40.87	376.41	11.72	-29.15
CC(C)(C)C1=CC=C(CC[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562766	0	54	0.0	-39.17	385.42	11.71	-27.46
CN1N=CC(Br)=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562767	0	39	0.0	-43.11	306.69	6.79	-36.32
CCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1F	REAL300018562768	0	46	0.0	-43.40	345.36	8.92	-34.48
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CC=CO2)S1	REAL300018562769	0	42	0.0	-45.54	335.58	7.71	-37.83
CC(C)(C)C1=CN=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562770	0	47	0.0	-38.67	350.46	8.48	-30.19
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OCCCCl)C=C1	REAL300018562771	0	49	0.0	-40.42	375.65	10.31	-30.11
CN1C=C(C2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])C=C2)C=N1	REAL300018562772	0	49	0.0	-42.63	361.43	10.10	-32.53
CN(C)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(C(F)(F)F)=C1	REAL300018562773	0	50	0.0	-33.45	366.92	10.14	-23.31
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=N1	REAL300018562774	0	53	0.0	-47.84	396.12	11.05	-36.79
CC1(C(=O)[O-])CCCCC1[NH2+]CC1CCC(C2=CC=CC=C2)CC1	REAL300018562775	0	55	0.0	-38.75	379.02	12.16	-26.59
CC1(C(=O)[O-])CCCCC1[NH2+]CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300018562776	0	58	0.0	-38.88	416.57	14.44	-24.44
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=C(Br)N2C=CC=CC2=N1	REAL300018562777	0	42	0.0	-37.46	329.50	9.68	-27.78
CN1C=C(C2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])S2)C=N1	REAL300018562778	0	46	0.0	-40.97	356.95	9.35	-31.62
CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018562779	0	48	0.0	-37.81	356.05	11.10	-26.71
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300018562780	0	49	0.0	-38.16	383.12	10.63	-27.53
COC1=CC=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C1OC	REAL300018562781	0	47	0.0	-37.73	346.52	7.87	-29.86
CC1=NN(C)C2=NC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])C=C12	REAL300018562782	0	47	0.0	-48.55	351.54	8.39	-40.16
CN1C=NC2=CC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CC=C21	REAL300018562783	0	45	0.0	-46.80	333.66	10.00	-36.80
CN1N=NC2=CC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CC=C21	REAL300018562784	0	44	0.0	-51.29	329.26	7.10	-44.19
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC(F)F)C(Br)=C1	REAL300018562785	0	43	0.0	-44.79	344.12	8.93	-35.86
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300018562786	0	53	0.0	-40.80	407.04	12.16	-28.64
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018562787	0	52	0.0	-46.95	408.25	11.33	-35.62
COCC(C)OC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562788	0	53	0.0	-40.29	385.99	8.88	-31.41
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=NN1CCC1=CC=CC=C1	REAL300018562789	0	52	0.0	-40.42	379.50	10.84	-29.58
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC2CCOC2)C=C1	REAL300018562790	0	51	0.0	-41.34	369.53	8.26	-33.08
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CC=CC=C2F)S1	REAL300018562791	0	45	0.0	-42.45	355.18	9.90	-32.55
CN1C=C(C2=NC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CS2)C=N1	REAL300018562792	0	45	0.0	-48.60	357.30	7.20	-41.40
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562793	0	56	0.0	-37.26	411.87	12.05	-25.21
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300018562794	0	54	0.0	-50.62	411.20	9.04	-41.58
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=NC2=C(Br)C=CC=C12	REAL300018562795	0	44	0.0	-45.72	339.88	9.66	-36.06
CC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=NC=C1Br	REAL300018562796	0	41	0.0	-43.33	320.44	8.00	-35.33
CC(C)(C)C1=CSC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=N1	REAL300018562797	0	47	0.0	-39.36	350.01	8.26	-31.10
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=NC=C(Br)C=C1F	REAL300018562798	0	38	0.0	-35.80	307.29	7.43	-28.37
CC1=CC(Br)=CN2C(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CN=C12	REAL300018562799	0	45	0.0	-42.53	352.01	10.28	-32.25
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2CCCC2)S1	REAL300018562800	0	48	0.0	-40.85	359.68	9.24	-31.61
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300018562801	0	45	0.0	-45.46	360.97	9.86	-35.60
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2CCCCC2)S1	REAL300018562802	0	51	0.0	-40.73	378.38	9.82	-30.91
CC(C)CC1=NC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562803	0	47	0.0	-40.70	355.64	8.78	-31.92
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CC=CS2)S1	REAL300018562804	0	42	0.0	-41.49	342.54	8.73	-32.76
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300018562805	0	45	0.0	-41.58	367.40	10.19	-31.39
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CSC=C2)S1	REAL300018562806	0	42	0.0	-40.58	341.80	8.61	-31.97
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])S2)C=C1C	REAL300018562807	0	51	0.0	-41.08	389.76	10.90	-30.18
CC1=CC=C(C2=NC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])S2)O1	REAL300018562808	0	45	0.0	-45.65	357.49	8.53	-37.12
CC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C(Br)C=C1F	REAL300018562809	0	42	0.0	-43.83	329.92	9.90	-33.93
CC1=CC(Br)=CC=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562810	0	42	0.0	-38.59	321.76	9.89	-28.70
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300018562811	0	51	0.0	-42.47	397.37	11.12	-31.35
COCCC1=NC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562812	0	45	0.0	-42.78	349.65	6.39	-36.39
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC(F)(F)F)N=C1	REAL300018562813	0	42	0.0	-42.93	325.21	7.84	-35.09
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Cl)C=C1Br	REAL300018562814	0	39	0.0	-32.97	318.66	9.71	-23.26
CC1=C(Br)C=NC=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562815	0	41	0.0	-42.83	316.26	7.96	-34.87
COC1=CC=C(CN2C=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])N=N2)C=C1	REAL300018562816	0	52	0.0	-56.19	395.46	8.25	-47.94
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562817	0	49	0.0	-46.38	363.62	10.50	-35.88
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562818	0	52	0.0	-43.24	380.61	11.03	-32.21
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2=CC=CN=C2)S1	REAL300018562819	0	44	0.0	-45.12	347.81	7.85	-37.27
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Br)=C([N+](=O)[O-])S1	REAL300018562820	0	38	0.0	-51.53	325.38	9.05	-42.48
CC(CCC1=CC=CC=C1)C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562821	0	51	0.0	-38.88	366.73	11.47	-27.41
COC1=CC=C(CC(C)C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1F	REAL300018562822	0	52	0.0	-44.73	377.08	10.12	-34.61
CC1=C(C)C=C2OC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CC2=C1	REAL300018562823	0	48	0.0	-38.60	349.18	10.40	-28.20
CCC1=NN(C)C(CC)=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562824	0	51	0.0	-42.35	364.72	8.91	-33.44
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN=C(C2CCC2)S1	REAL300018562825	0	45	0.0	-38.85	340.21	8.75	-30.10
CCC1=C2OC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CC2=CC=C1	REAL300018562826	0	48	0.0	-45.21	358.55	10.57	-34.64
CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300018562827	0	51	0.0	-47.75	382.37	7.47	-40.28
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=NC2=CC=C(Br)C=C2S1	REAL300018562828	0	41	0.0	-39.05	340.74	8.66	-30.39
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2CCCO2)N=N1	REAL300018562829	0	49	0.0	-50.21	360.65	6.23	-43.98
CC1=CC(C)=C(C=CC[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1C	REAL300018562830	0	52	0.0	-37.11	368.24	11.82	-25.29
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562831	0	50	0.0	-40.64	371.97	10.07	-30.57
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562832	0	49	0.0	-38.53	363.21	11.43	-27.10
COCC1=CC=CC=C1C=C(C)C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562833	0	53	0.0	-38.25	379.83	10.40	-27.85
CN1N=C(Br)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562834	0	39	0.0	-44.85	310.11	6.67	-38.18
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(CC(F)(F)F)C=C1	REAL300018562835	0	45	0.0	-40.66	346.63	10.44	-30.22
CC1(C(=O)[O-])CCCCC1[NH2+]CC1CCN(C2=CC=CC=C2)C1	REAL300018562836	0	51	0.0	-40.70	363.12	9.03	-31.67
CN1N=C(C(F)(F)F)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562837	0	42	0.0	-46.45	329.57	7.15	-39.30
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562838	0	50	0.0	-40.70	384.11	9.08	-31.62
CC1(C(=O)[O-])CCCCC1[NH2+]CC1C2CC3CC(C2)CC1C3	REAL300018562839	0	53	0.0	-35.95	336.96	10.54	-25.41
CCOP(=O)(CCC[NH2+]C1CCCCC1(C)C(=O)[O-])OCC	REAL300018562840	0	52	0.0	-43.73	392.03	8.44	-35.29
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(C2CCCC2)=C1	REAL300018562841	0	52	0.0	-37.22	367.22	11.88	-25.34
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C2OCCCCOC2=C1	REAL300018562842	0	51	0.0	-41.49	364.70	9.54	-31.95
COC1=CC(OC)=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1F	REAL300018562843	0	47	0.0	-41.51	351.53	7.35	-34.16
CC(C)OC(C[NH2+]C1CCCCC1(C)C(=O)[O-])C1=CC=CC=C1	REAL300018562844	0	52	0.0	-31.46	371.82	10.33	-21.13
CCCCCCCCCC(C)CC[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562845	0	65	0.0	-37.59	457.09	13.74	-23.85
COC(C[NH2+]C1CCCCC1(C)C(=O)[O-])CC1=CC=CC=C1	REAL300018562846	0	49	0.0	-43.18	353.84	8.95	-34.23
CCN(CC)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562847	0	53	0.0	-35.70	376.44	11.11	-24.59
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Br)C=C1	REAL300018562848	0	39	0.0	-40.20	306.93	9.28	-30.92
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC(OC)=C1OC	REAL300018562849	0	51	0.0	-46.82	376.33	7.79	-39.03
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Cl)C=C1Cl	REAL300018562850	0	39	0.0	-33.49	315.07	9.61	-23.88
CC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(C)=C1Br	REAL300018562851	0	45	0.0	-40.30	334.11	10.37	-29.93
CC1(C(=O)[O-])CCCCC1[NH2+]CC=CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018562852	0	57	0.0	-43.20	429.97	13.17	-30.03
CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300018562853	0	45	0.0	-42.37	336.60	10.04	-32.33
CC1=CC=NC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C1Br	REAL300018562854	0	41	0.0	-35.86	319.41	7.85	-28.01
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(OC(F)F)=CC=C1Br	REAL300018562855	0	43	0.0	-43.32	342.47	8.77	-34.55
CN1N=C2CCCCC2=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562856	0	49	0.0	-41.62	349.84	8.64	-32.98
COCCCN1N=CC=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562857	0	49	0.0	-40.85	363.32	6.95	-33.90
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(S(N)(=O)=O)C(Cl)=C1	REAL300018562858	0	44	0.0	-52.46	351.75	4.19	-48.27
CSCC1=CN=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562859	0	42	0.0	-40.14	336.01	7.88	-32.26
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CSC=C1C(F)(F)F	REAL300018562860	0	39	0.0	-41.21	302.33	8.60	-32.61
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300018562861	0	49	0.0	-40.96	377.50	12.66	-28.30
CC1=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300018562862	0	45	0.0	-43.49	356.30	11.18	-32.31
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=NC2=CC([N+](=O)[O-])=CC=C2O1	REAL300018562863	0	43	0.0	-44.84	334.90	6.34	-38.50
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=C(C(F)(F)F)SC=C1	REAL300018562864	0	39	0.0	-32.01	305.82	8.81	-23.20
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=NN1C1CCOCC1	REAL300018562865	0	50	0.0	-42.68	360.08	7.28	-35.40
C[C@]1(C[NH2+]C2CCCCC2(C)C(=O)[O-])C[C@@H]1C1=CC=CC=C1	REAL300018562866	0	49	0.0	-38.86	345.99	11.37	-27.49
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562867	0	52	0.0	-43.33	380.68	11.02	-32.31
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=NN1CC1CCC1	REAL300018562868	0	49	0.0	-41.61	355.39	9.20	-32.41
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(OC)=C1	REAL300018562869	0	47	0.0	-34.77	343.27	7.31	-27.46
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C(F)(F)F)C=C1	REAL300018562870	0	42	0.0	-40.52	320.03	9.81	-30.71
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562871	0	60	0.0	-38.00	435.71	13.78	-24.22
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC(F)F)C=C1	REAL300018562872	0	43	0.0	-43.18	324.89	8.24	-34.94
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300018562873	0	50	0.0	-38.91	373.40	11.59	-27.32
CC1(C(=O)[O-])CCCCC1[NH2+]CC=CC1=CC=CC=C1[N+](=O)[O-]	REAL300018562874	0	45	0.0	-46.10	338.04	10.67	-35.43
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(C(F)(F)F)=C1	REAL300018562875	0	42	0.0	-39.02	322.05	9.70	-29.32
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(OC)=C1OC	REAL300018562876	0	51	0.0	-41.22	374.61	7.63	-33.59
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300018562877	0	57	0.0	-45.76	424.96	11.86	-33.90
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300018562878	0	53	0.0	-40.50	396.90	11.94	-28.56
COC1=CC=C(Br)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562879	0	43	0.0	-37.44	337.17	8.59	-28.85
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300018562880	0	49	0.0	-40.13	359.86	12.07	-28.06
COC1=CC(OC)=C(OC)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562881	0	51	0.0	-40.10	374.51	7.19	-32.91
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300018562882	0	53	0.0	-44.11	399.06	11.90	-32.21
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC=C1Br	REAL300018562883	0	39	0.0	-38.45	300.50	9.21	-29.24
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300018562884	0	57	0.0	-46.94	428.28	11.79	-35.15
CC(C)(C)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562885	0	51	0.0	-35.74	357.51	11.13	-24.61
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562886	0	49	0.0	-43.29	359.20	10.35	-32.94
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OC(F)F	REAL300018562887	0	47	0.0	-44.48	352.96	8.17	-36.31
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300018562888	0	46	0.0	-37.76	366.13	11.21	-26.55
CC1(C(=O)[O-])CCCCC1[NH2+]CC[C@@H]1C[C@H]1C1=CC=CC=C1	REAL300018562889	0	49	0.0	-37.90	353.60	11.55	-26.35
CC1=CC(C)=C(C=CC[NH2+]C2CCCCC2(C)C(=O)[O-])C(C)=C1	REAL300018562890	0	52	0.0	-41.41	377.73	11.72	-29.69
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(CC2CCC2)=C1	REAL300018562891	0	52	0.0	-37.33	376.70	12.16	-25.17
CN1N=C2CCSCC2=C1C[NH2+]C1CCCCC1(C)C(=O)[O-]	REAL300018562892	0	47	0.0	-47.88	351.35	8.26	-39.62
CCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OC	REAL300018562893	0	50	0.0	-44.35	365.06	8.81	-35.54
CCCCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562894	0	55	0.0	-39.06	401.50	11.25	-27.81
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300018562895	0	48	0.0	-51.87	374.08	11.20	-40.67
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300018562896	0	48	0.0	-48.14	374.07	11.21	-36.93
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1Br	REAL300018562897	0	43	0.0	-45.12	334.38	8.65	-36.47
CCCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562898	0	56	0.0	-44.26	408.05	10.39	-33.87
CCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562899	0	53	0.0	-44.21	386.55	9.61	-34.60
C=CCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562900	0	51	0.0	-44.68	377.96	9.39	-35.29
CCCCCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562901	0	62	0.0	-43.93	454.37	11.88	-32.05
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300018562902	0	46	0.0	-37.76	361.57	11.11	-26.65
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300018562903	0	46	0.0	-44.77	364.89	11.06	-33.71
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300018562904	0	56	0.0	-46.22	410.80	11.87	-34.35
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300018562905	0	56	0.0	-39.73	421.79	14.22	-25.51
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018562906	0	56	0.0	-46.86	418.53	13.63	-33.23
CCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562907	0	49	0.0	-39.13	358.51	9.67	-29.46
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2Cl)O1	REAL300018562908	0	48	0.0	-42.29	388.45	11.70	-30.59
COC1=CC=C(C2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300018562909	0	52	0.0	-50.96	401.60	11.07	-39.89
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2)O1	REAL300018562910	0	46	0.0	-42.86	345.89	10.53	-32.33
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300018562911	0	53	0.0	-44.29	383.53	9.47	-34.82
CCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OCC	REAL300018562912	0	56	0.0	-44.10	408.41	10.53	-33.57
CC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018562913	0	44	0.0	-43.03	327.19	9.87	-33.16
CCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300018562914	0	60	0.0	-45.59	446.82	12.78	-32.81
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])=C2	REAL300018562915	0	55	0.0	-42.95	406.23	13.45	-29.50
CC(C)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018562916	0	50	0.0	-52.13	368.08	11.18	-40.95
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Br)=C2OCOC2=C1	REAL300018562917	0	42	0.0	-44.81	330.34	7.96	-36.85
CCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OCC(C)C	REAL300018562918	0	59	0.0	-43.85	428.51	11.21	-32.64
COC1=CC(Br)=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562919	0	47	0.0	-44.07	361.90	8.40	-35.67
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC(OC)=C1	REAL300018562920	0	47	0.0	-38.54	341.02	7.35	-31.19
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC2=C(C=C1Br)OCO2	REAL300018562921	0	42	0.0	-35.31	326.06	7.96	-27.35
COC1=CC2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])C=C2C=C1	REAL300018562922	0	49	0.0	-41.53	357.47	10.29	-31.24
CCCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OCC	REAL300018562923	0	59	0.0	-44.17	429.91	11.31	-32.86
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(CSC(F)F)O1	REAL300018562924	0	43	0.0	-37.89	345.12	9.28	-28.61
CCN(CC)C1=NC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])S1	REAL300018562925	0	49	0.0	-40.94	372.75	9.51	-31.43
CC1=CC=C(COC2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])C=C2)C=C1	REAL300018562926	0	56	0.0	-41.79	418.33	12.61	-29.18
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2CCCCC2)C=C1	REAL300018562927	0	54	0.0	-36.48	374.24	10.09	-26.39
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562928	0	54	0.0	-40.65	398.15	12.54	-28.11
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC(Cl)=C1OC	REAL300018562929	0	47	0.0	-42.08	363.98	8.49	-33.59
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OCC(C)C	REAL300018562930	0	56	0.0	-44.83	410.00	10.22	-34.61
CCCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OC	REAL300018562931	0	53	0.0	-44.18	386.55	9.61	-34.57
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Br)S1	REAL300018562932	0	36	0.0	-43.04	299.68	8.44	-34.60
CCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC(Cl)=C1OC	REAL300018562933	0	50	0.0	-45.03	385.83	9.42	-35.61
C=CCOC1=CC=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C1	REAL300018562934	0	47	0.0	-37.50	347.25	9.49	-28.01
CCOC1=C(Cl)C=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562935	0	50	0.0	-44.98	388.33	9.41	-35.57
CCCCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OC	REAL300018562936	0	56	0.0	-44.01	408.05	10.39	-33.62
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OCC	REAL300018562937	0	56	0.0	-44.83	429.19	11.17	-33.66
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC(F)F	REAL300018562938	0	47	0.0	-46.53	352.96	8.18	-38.35
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300018562939	0	45	0.0	-35.25	366.17	10.01	-25.24
CCOC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OC(F)F	REAL300018562940	0	50	0.0	-44.20	374.81	9.09	-35.11
CC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC(C)=C1OC(F)F	REAL300018562941	0	49	0.0	-42.35	362.96	9.73	-32.62
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC2=C1OCCO2	REAL300018562942	0	49	0.0	-42.73	358.96	7.68	-35.05
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300018562943	0	48	0.0	-52.44	382.27	10.04	-42.40
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC2=C1OCO2	REAL300018562944	0	46	0.0	-49.02	340.04	6.63	-42.39
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=NN(C2=CC=CC=C2)N=C1	REAL300018562945	0	45	0.0	-46.06	340.07	8.43	-37.63
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2)S1	REAL300018562946	0	46	0.0	-37.22	350.84	11.45	-25.77
CCCOC1=C(Cl)C=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OC	REAL300018562947	0	53	0.0	-44.86	409.83	10.21	-34.65
COC1=CC2=C(C=C1C[NH2+]C1CCCCC1(C)C(=O)[O-])OC(C)C2	REAL300018562948	0	51	0.0	-36.82	370.74	8.60	-28.22
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2C=CN=C2)C=C1	REAL300018562949	0	46	0.0	-43.86	337.26	11.19	-32.67
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2F)O1	REAL300018562950	0	46	0.0	-46.23	356.44	10.62	-35.61
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Cl)=C2OCCOC2=C1	REAL300018562951	0	45	0.0	-42.82	345.75	8.35	-34.47
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300018562952	0	52	0.0	-45.09	388.17	13.47	-31.62
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300018562953	0	54	0.0	-45.72	415.20	10.93	-34.79
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Cl)=C2OCCCOC2=C1	REAL300018562954	0	48	0.0	-45.97	366.68	9.10	-36.87
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300018562955	0	53	0.0	-43.11	412.22	12.48	-30.63
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(C2=CC=CC=C2)N=C1	REAL300018562956	0	46	0.0	-44.13	346.61	9.82	-34.31
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300018562957	0	46	0.0	-41.97	367.18	11.15	-30.82
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300018562958	0	46	0.0	-37.63	367.56	11.97	-25.66
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2=CC=CC=C2)N=C1	REAL300018562959	0	49	0.0	-40.45	367.23	10.34	-30.11
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300018562960	0	48	0.0	-40.29	368.97	11.88	-28.41
COC1=CC=C(C2=NC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=CS2)C=C1	REAL300018562961	0	49	0.0	-36.19	378.88	8.82	-27.37
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(SC(F)(F)F)C=C1	REAL300018562962	0	43	0.0	-42.28	342.04	10.12	-32.16
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OCC2=CC=CC(F)=C2)C=C1	REAL300018562963	0	53	0.0	-40.93	398.98	12.15	-28.78
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300018562964	0	49	0.0	-46.01	382.14	10.80	-35.21
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(Cl)=C1	REAL300018562965	0	43	0.0	-33.62	327.82	8.39	-25.23
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OC(F)(F)F)C=C1	REAL300018562966	0	43	0.0	-41.99	331.63	8.45	-33.54
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300018562967	0	48	0.0	-46.66	381.67	12.09	-34.57
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300018562968	0	48	0.0	-39.84	379.44	12.18	-27.66
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CSC2=CC=CC=C12	REAL300018562969	0	42	0.0	-38.92	322.54	10.01	-28.91
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC2=CC=CC=C2OC1	REAL300018562970	0	45	0.0	-42.35	331.71	9.14	-33.21
CC1=CC=C(C2=CC=C(C[NH2+]C3CCCCC3(C)C(=O)[O-])O2)C=C1	REAL300018562971	0	49	0.0	-37.33	366.24	11.28	-26.05
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(OCC2CCCO2)C=C1	REAL300018562972	0	54	0.0	-41.57	393.96	9.27	-32.30
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300018562973	0	46	0.0	-38.10	357.24	11.52	-26.58
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300018562974	0	49	0.0	-38.60	389.53	12.45	-26.15
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2C=NC=N2)C(F)=C1	REAL300018562975	0	45	0.0	-49.42	342.15	11.37	-38.05
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(N2C=NC=N2)C=C1	REAL300018562976	0	45	0.0	-47.43	334.59	11.33	-36.10
CC1=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])SC2=NC(C)=NC(C)=C12	REAL300018562977	0	49	0.0	-40.57	365.00	9.06	-31.51
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300018562978	0	46	0.0	-38.43	367.74	11.97	-26.46
COC1=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300018562980	0	56	0.0	-48.88	423.17	10.02	-38.86
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CC=C2F)S1	REAL300018562981	0	46	0.0	-39.53	360.19	11.62	-27.91
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C(Cl)=C1OC	REAL300018562982	0	47	0.0	-38.01	362.44	8.40	-29.61
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018562983	0	46	0.0	-39.62	353.01	11.28	-28.34
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018562984	0	42	0.0	-36.60	321.98	10.24	-26.36
CC(C)OC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562985	0	49	0.0	-40.21	354.53	9.48	-30.73
CCCCCCCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562986	0	61	0.0	-39.06	444.50	12.81	-26.25
CC(C[NH2+]C1CCCCC1(C)C(=O)[O-])CC1=CC=C(C(C)(C)C)C=C1	REAL300018562987	0	60	0.0	-39.97	420.64	12.96	-27.01
CC(C)CC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1	REAL300018562988	0	51	0.0	-37.29	366.78	11.33	-25.96
CC1=CC=C(C2=CC=CC(C[NH2+]C3CCCCC3(C)C(=O)[O-])=C2)C=C1	REAL300018562989	0	52	0.0	-39.62	378.61	12.76	-26.86
COC1=CC=C(Br)C(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C1	REAL300018562990	0	43	0.0	-39.86	332.65	8.49	-31.37
COC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018562991	0	45	0.0	-46.98	338.51	9.41	-37.57
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018562992	0	39	0.0	-38.68	315.47	9.75	-28.93
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CCCCC2(C)C(=O)[O-])=C1	REAL300018562993	0	52	0.0	-38.51	378.10	12.82	-25.69
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018562994	0	43	0.0	-41.26	322.25	8.26	-33.00
CCOC1=CC=C(C[NH2+]C2CCCCC2(C)C(=O)[O-])C=C1OCC	REAL300018562995	0	53	0.0	-44.26	386.91	9.73	-34.53
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018562996	0	42	0.0	-42.23	334.87	10.09	-32.14
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(F)C=C1Br	REAL300018562997	0	39	0.0	-33.49	308.34	9.26	-24.23
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018562998	0	42	0.0	-43.49	325.25	7.75	-35.74
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018562999	0	43	0.0	-39.46	328.99	8.47	-30.99
CC1(C(=O)[O-])CCCCC1[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1	REAL300018563000	0	45	0.0	-47.78	346.34	6.18	-41.60
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300018567823	0	49	0.0	-76.52	379.25	7.77	-68.75
CC1(C)CCCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567824	0	55	0.0	-65.37	378.58	7.50	-57.87
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])(C1)OC21CCOCC1	REAL300018567826	0	48	0.0	-72.79	387.30	8.03	-64.76
CC(C)=CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567827	0	55	0.0	-66.58	399.78	8.04	-58.54
CC1(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC(C)(C)C1	REAL300018567828	0	61	0.0	-67.90	421.46	8.33	-59.57
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567829	0	59	0.0	-72.53	441.43	9.23	-63.30
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)OC21CCOCC1	REAL300018567830	0	53	0.0	-75.95	419.94	9.66	-66.29
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)OC21CCOCC1	REAL300018567831	0	49	0.0	-74.56	389.71	8.63	-65.93
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567832	0	56	0.0	-74.78	421.85	7.90	-66.88
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1F	REAL300018567833	0	49	0.0	-76.73	377.48	7.65	-69.08
CC1CCC(C)C([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300018567834	0	55	0.0	-66.75	382.18	7.46	-59.29
O=C([O-])C12CC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)OC21CCOCC1	REAL300018567835	0	50	0.0	-75.03	383.68	7.08	-67.95
O=C([O-])C12CC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)(C1)OC21CCOCC1	REAL300018567836	0	45	0.0	-87.41	370.81	6.75	-80.66
CC1CC(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300018567837	0	55	0.0	-68.03	392.38	7.58	-60.45
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567838	0	58	0.0	-71.74	433.77	9.73	-62.01
CC1=CC(C)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567839	0	52	0.0	-72.41	395.14	8.40	-64.01
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1[N+](=O)[O-]	REAL300018567840	0	52	0.0	-89.70	406.29	7.68	-82.02
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)OC21CCOCC1	REAL300018567841	0	46	0.0	-78.52	385.78	8.09	-70.43
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567842	0	52	0.0	-70.16	384.62	8.09	-62.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)OC21CCOCC1	REAL300018567843	0	50	0.0	-76.36	390.02	6.53	-69.83
O=C([O-])C12CC(C[NH2+]CC3=NC=CS3)(C1)OC21CCOCC1	REAL300018567844	0	42	0.0	-71.51	337.31	4.20	-67.31
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300018567845	0	58	0.0	-67.34	400.66	8.41	-58.93
O=C([O-])C12CC(C[NH2+]CC3=CN=CN=C3)(C1)OC21CCOCC1	REAL300018567846	0	44	0.0	-78.95	340.39	4.96	-73.99
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)OC21CCOCC1	REAL300018567847	0	49	0.0	-85.71	391.92	6.18	-79.53
O=C([O-])C12CC(C[NH2+]CC3=CC=NC4=CC=CC=C34)(C1)OC21CCOCC1	REAL300018567848	0	51	0.0	-81.26	388.96	7.32	-73.94
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567849	0	52	0.0	-85.44	413.26	4.57	-80.87
CC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567850	0	49	0.0	-65.61	348.93	6.83	-58.78
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567851	0	59	0.0	-70.23	442.44	8.41	-61.82
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)(C1)OC21CCOCC1	REAL300018567852	0	53	0.0	-74.99	411.28	9.29	-65.70
O=C([O-])C12CC(C[NH2+]C3CCOCC3)(C1)OC21CCOCC1	REAL300018567853	0	47	0.0	-69.77	341.46	4.00	-65.77
CC(C)CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567854	0	57	0.0	-65.82	408.38	8.12	-57.70
CCCCC(CC)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567855	0	54	0.0	-66.66	389.47	7.52	-59.14
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C12	REAL300018567856	0	56	0.0	-76.65	421.85	8.54	-68.11
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300018567857	0	49	0.0	-70.99	385.91	7.77	-63.22
O=C([O-])C12CC(C[NH2+]CC3=CCCOC3)(C1)OC21CCOCC1	REAL300018567858	0	48	0.0	-72.38	359.57	4.87	-67.51
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567859	0	52	0.0	-79.52	399.78	7.42	-72.10
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)OC21CCOCC1	REAL300018567860	0	51	0.0	-75.72	386.65	6.79	-68.93
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)OC21CCOCC1	REAL300018567861	0	57	0.0	-77.90	426.25	6.99	-70.91
O=C([O-])C12CC(C[NH2+]CC3=CN=CS3)(C1)OC21CCOCC1	REAL300018567862	0	42	0.0	-74.91	337.07	4.33	-70.58
O=C([O-])C12CC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)OC21CCOCC1	REAL300018567863	0	50	0.0	-71.50	383.50	7.10	-64.40
CN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567864	0	46	0.0	-77.57	352.47	6.22	-71.35
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)OC21CCOCC1	REAL300018567865	0	50	0.0	-75.84	383.69	7.11	-68.73
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567866	0	49	0.0	-79.55	375.08	5.21	-74.34
CC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567867	0	49	0.0	-65.03	377.69	7.49	-57.54
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)(C1)OC21CCOCC1	REAL300018567868	0	49	0.0	-76.46	390.32	6.04	-70.42
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567869	0	49	0.0	-76.87	373.52	7.77	-69.10
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567870	0	61	0.0	-68.05	430.57	9.98	-58.07
CN(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567871	0	54	0.0	-65.81	402.02	6.97	-58.84
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)(C1)OC21CCOCC1	REAL300018567872	0	55	0.0	-76.27	419.99	8.59	-67.68
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)(C1)OC21CCOCC1	REAL300018567873	0	55	0.0	-77.81	420.19	8.60	-69.21
O=C([O-])C12CC(C[NH2+]CC3=CSC=N3)(C1)OC21CCOCC1	REAL300018567874	0	42	0.0	-71.15	336.94	4.09	-67.06
O=C([O-])C12CC(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)(C1)OC21CCOCC1	REAL300018567875	0	56	0.0	-75.79	412.46	4.88	-70.91
CC1=NNC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567876	0	49	0.0	-75.68	372.83	4.61	-71.07
CC(C)(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300018567877	0	55	0.0	-73.74	413.54	6.77	-66.97
CN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567878	0	46	0.0	-79.40	352.94	4.65	-74.75
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)(C1)OC21CCOCC1	REAL300018567879	0	56	0.0	-80.24	419.79	6.83	-73.41
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567880	0	55	0.0	-76.34	417.55	6.72	-69.62
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567881	0	57	0.0	-73.72	435.75	6.45	-67.27
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1Cl	REAL300018567882	0	50	0.0	-79.07	398.06	6.91	-72.16
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567883	0	58	0.0	-75.66	432.16	8.52	-67.14
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567884	0	49	0.0	-71.69	378.04	3.86	-67.83
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=N3)(C1)OC21CCOCC1	REAL300018567885	0	45	0.0	-72.93	367.06	5.73	-67.20
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)(C1)OC21CCOCC1	REAL300018567886	0	51	0.0	-80.77	388.62	7.31	-73.46
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300018567887	0	45	0.0	-74.41	359.23	5.02	-69.39
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCO4)(C1)OC21CCOCC1	REAL300018567888	0	52	0.0	-71.72	395.42	6.27	-65.45
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)OC21CCOCC1	REAL300018567889	0	55	0.0	-71.77	410.62	6.97	-64.80
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)(C1)OC21CCOCC1	REAL300018567890	0	53	0.0	-73.50	411.41	9.30	-64.20
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)(C1)OC21CCOCC1	REAL300018567891	0	53	0.0	-73.37	409.28	9.17	-64.20
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)(C1)OC21CCOCC1	REAL300018567892	0	54	0.0	-82.53	421.72	8.33	-74.20
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567893	0	58	0.0	-76.40	438.36	9.13	-67.27
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567894	0	56	0.0	-72.29	423.62	7.97	-64.32
CC(CN1C=NC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567895	0	48	0.0	-73.81	364.80	7.14	-66.67
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567896	0	55	0.0	-75.96	431.21	8.59	-67.37
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)(C1)OC21CCOCC1	REAL300018567897	0	53	0.0	-72.66	416.81	9.53	-63.13
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)C=NC2=NN1	REAL300018567898	0	51	0.0	-89.58	395.39	5.60	-83.98
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300018567899	0	47	0.0	-80.32	364.03	5.03	-75.29
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300018567900	0	48	0.0	-74.35	380.71	5.77	-68.58
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)(C1)OC21CCOCC1	REAL300018567901	0	52	0.0	-66.10	396.69	10.18	-55.92
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2=CC=CN=C2)=N1	REAL300018567902	0	55	0.0	-73.41	424.84	6.32	-67.09
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2=CC=NC=C2)=N1	REAL300018567903	0	55	0.0	-78.63	426.72	6.50	-72.13
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CC=CN34)(C1)OC21CCOCC1	REAL300018567904	0	49	0.0	-79.22	377.61	7.39	-71.83
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300018567905	0	50	0.0	-72.10	392.99	5.96	-66.14
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567906	0	56	0.0	-71.95	420.04	7.80	-64.15
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300018567907	0	51	0.0	-70.60	400.09	6.12	-64.48
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4CC4)=N3)(C1)OC21CCOCC1	REAL300018567908	0	49	0.0	-71.05	388.77	6.31	-64.74
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300018567909	0	48	0.0	-68.50	378.81	5.42	-63.08
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567910	0	55	0.0	-72.79	414.13	9.14	-63.65
CC1=CC=CC(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567911	0	58	0.0	-69.62	429.13	9.74	-59.88
CC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567912	0	58	0.0	-69.44	429.13	9.74	-59.70
O=C([O-])C12CC(C[NH2+]C3CCC(F)(F)CC3)(C1)OC21CCOCC1	REAL300018567913	0	49	0.0	-74.71	361.46	6.51	-68.20
O=C([O-])C12CC(C[NH2+]C3CCN(CC4CC4)CC3)(C1)OC21CCOCC1	REAL300018567914	1	58	0.0	-67.24	415.29	5.98	-61.26
CC(C)(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CS1	REAL300018567915	0	54	0.0	-70.29	419.03	6.63	-63.66
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)(C1)OC21CCOCC1	REAL300018567916	0	50	0.0	-80.23	386.81	5.37	-74.86
O=C([O-])C12CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)OC21CCOCC1	REAL300018567917	0	49	0.0	-74.74	396.02	8.10	-66.64
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)S1	REAL300018567918	0	54	0.0	-73.79	419.37	6.85	-66.94
CC(C)CN1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300018567919	1	60	0.0	-68.60	427.74	6.46	-62.14
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C(C)S1	REAL300018567920	0	49	0.0	-71.91	381.41	7.61	-64.30
CC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCCC1	REAL300018567921	0	52	0.0	-67.35	366.34	7.01	-60.34
C#CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567922	0	52	0.0	-77.47	409.72	7.82	-69.65
CC(C)(C)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300018567923	1	60	0.0	-67.02	413.88	5.46	-61.56
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=CC=C1SC	REAL300018567924	0	54	0.0	-79.46	421.44	7.40	-72.06
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)(C1)OC21CCOCC1	REAL300018567925	0	53	0.0	-82.54	411.93	6.99	-75.55
C=CCCC(CC)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567926	0	52	0.0	-66.32	378.67	7.19	-59.13
CCN1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567927	0	49	0.0	-74.74	374.26	6.31	-68.43
CCOCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567928	0	49	0.0	-65.14	361.58	4.64	-60.50
CCCC(CC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567929	0	58	0.0	-66.22	420.53	9.64	-56.58
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)(C1)OC21CCOCC1	REAL300018567930	0	52	0.0	-80.26	405.43	6.89	-73.37
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1C	REAL300018567931	0	55	0.0	-75.40	416.04	6.73	-68.67
C=CCC(C)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567932	0	52	0.0	-66.99	376.27	7.08	-59.91
CC(C)CCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567933	0	61	0.0	-67.48	433.58	9.19	-58.29
CCCCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567934	0	58	0.0	-67.34	417.17	8.69	-58.65
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C2=CC=CC=C21	REAL300018567935	0	52	0.0	-72.92	400.71	6.87	-66.05
CN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300018567936	0	46	0.0	-69.58	353.64	4.66	-64.92
O=C([O-])C12CC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)OC21CCOCC1	REAL300018567937	0	49	0.0	-85.04	379.41	5.67	-79.37
O=C([O-])C12CC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)OC21CCOCC1	REAL300018567937	1	49	0.0	-75.35	379.41	5.71	-69.64
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1F	REAL300018567938	0	54	0.0	-77.84	411.84	6.50	-71.34
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)OC21CCOCC1	REAL300018567939	0	49	0.0	-76.92	389.73	6.54	-70.38
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=CC=C2O1	REAL300018567940	0	57	0.0	-77.29	429.73	8.32	-68.97
CC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567941	0	45	0.0	-78.19	359.08	5.47	-72.72
O=C([O-])C12CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)OC21CCOCC1	REAL300018567942	0	52	0.0	-75.59	408.98	5.52	-70.07
CC(CC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567943	0	49	0.0	-66.68	376.47	7.27	-59.41
O=C([O-])C12CC(C[NH2+]CC3CCCCCCC3)(C1)OC21CCOCC1	REAL300018567944	0	58	0.0	-71.07	395.33	8.10	-62.97
CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=N1	REAL300018567945	0	45	0.0	-71.60	358.91	4.82	-66.78
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567946	0	56	0.0	-75.66	430.21	7.60	-68.06
CC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567947	0	48	0.0	-74.56	360.70	5.75	-68.81
CC(CSC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567948	0	55	0.0	-64.22	407.05	7.71	-56.51
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1C	REAL300018567949	0	54	0.0	-78.08	411.14	6.11	-71.97
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)(C1)OC21CCOCC1	REAL300018567950	0	53	0.0	-76.72	409.69	7.26	-69.46
CC(C)OCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567951	0	52	0.0	-66.49	383.65	5.51	-60.98
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567952	0	59	0.0	-74.52	445.53	8.77	-65.75
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=C1	REAL300018567953	0	57	0.0	-76.87	437.56	6.54	-70.33
COCC(CC(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567954	0	55	0.0	-65.30	398.20	5.90	-59.40
O=C([O-])C12CC(C[NH2+]C3CCCOC3)(C1)OC21CCOCC1	REAL300018567955	0	47	0.0	-68.13	340.73	3.97	-64.16
CC1(C)CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C1	REAL300018567956	0	58	0.0	-70.68	406.43	8.23	-62.45
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567957	0	57	0.0	-71.01	419.60	8.11	-62.90
CC1(C)CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567958	0	52	0.0	-65.26	368.94	7.35	-57.91
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)OC21CCOCC1	REAL300018567959	0	53	0.0	-72.86	397.83	8.99	-63.87
CC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567960	0	55	0.0	-67.14	403.43	8.82	-58.32
CC1=CC=CC(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567961	0	55	0.0	-67.18	407.65	9.01	-58.17
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C1(CCOCC1)O3)OCO2	REAL300018567962	0	53	0.0	-74.46	406.43	5.10	-69.36
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)SC=C1	REAL300018567963	0	47	0.0	-66.39	372.45	5.49	-60.90
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567964	0	59	0.0	-72.03	443.73	8.67	-63.36
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)OC21CCOCC1	REAL300018567965	0	52	0.0	-80.12	399.06	9.22	-70.90
O=C([O-])C12CC(C[NH2+]CCC3CCOCC3)(C1)OC21CCOCC1	REAL300018567966	0	53	0.0	-74.27	385.99	5.59	-68.68
O=C([O-])C12CC(C[NH2+]CC3CCSCC3)(C1)OC21CCOCC1	REAL300018567967	0	50	0.0	-75.86	373.15	7.10	-68.76
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567968	0	59	0.0	-67.56	443.86	8.87	-58.69
O=C([O-])C12CC(C[NH2+]CC3CCCCCC3)(C1)OC21CCOCC1	REAL300018567969	0	55	0.0	-69.44	382.95	7.73	-61.71
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCOCC3)O4)=C2O1	REAL300018567970	0	57	0.0	-67.97	429.53	8.30	-59.67
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)(C1)OC21CCOCC1	REAL300018567971	0	45	0.0	-67.99	376.02	6.09	-61.90
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)OC21CCOCC1	REAL300018567972	0	52	0.0	-70.90	401.05	6.80	-64.10
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Br)(C1)OC21CCOCC1	REAL300018567973	0	45	0.0	-73.38	363.17	5.89	-67.49
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Cl)(C1)OC21CCOCC1	REAL300018567974	0	45	0.0	-74.15	359.57	5.79	-68.36
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)N1CCOCC1	REAL300018567975	0	58	0.0	-70.93	405.53	4.09	-66.84
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2)C1CCCC1	REAL300018567976	0	55	0.0	-65.54	383.96	7.67	-57.87
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=NN1C	REAL300018567977	0	49	0.0	-71.33	374.68	5.26	-66.07
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567978	0	52	0.0	-67.31	401.72	9.24	-58.07
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(C2=CC=CC=C2)=N1	REAL300018567979	0	56	0.0	-75.40	431.76	8.24	-67.16
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300018567980	0	50	0.0	-78.93	383.72	5.53	-73.40
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)OC21CCOCC1	REAL300018567981	0	53	0.0	-77.03	410.74	8.28	-68.75
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=NO1	REAL300018567982	0	45	0.0	-73.28	349.25	5.23	-68.05
CCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567983	0	49	0.0	-75.16	369.10	7.23	-67.93
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)N1C	REAL300018567984	0	49	0.0	-77.56	373.06	6.01	-71.55
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)OC21CCOCC1	REAL300018567985	0	51	0.0	-79.02	391.77	7.43	-71.59
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)OC21CCOCC1	REAL300018567986	0	49	0.0	-83.72	378.44	5.78	-77.94
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CNN=C43)(C1)OC21CCOCC1	REAL300018567987	0	49	0.0	-69.28	378.60	5.77	-63.51
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCN34)(C1)OC21CCOCC1	REAL300018567988	0	50	0.0	-76.92	378.33	6.66	-70.26
CS(=O)(=O)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)CC1	REAL300018567989	0	54	0.0	-78.47	404.03	2.78	-75.69
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=N3)(C1)OC21CCOCC1	REAL300018567990	0	45	0.0	-73.66	352.14	5.20	-68.46
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)SC=N1	REAL300018567991	0	45	0.0	-74.66	356.23	4.84	-69.82
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567992	0	50	0.0	-75.85	386.68	6.32	-69.53
CC(CC1=CN=CC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCOCC1)O2	REAL300018567993	0	50	0.0	-66.29	375.10	5.41	-60.88
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=N1	REAL300018567994	0	56	0.0	-79.80	424.18	7.00	-72.80
CC1=NOC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)=C1	REAL300018567995	0	45	0.0	-80.15	349.25	5.26	-74.89
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C=CO1	REAL300018567996	0	46	0.0	-72.43	352.19	5.87	-66.56
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCOCC2)O3)C(Cl)=C1	REAL300018567997	0	49	0.0	-68.54	386.43	8.19	-60.35
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)(C1)OC21CCOCC1	REAL300018567998	0	48	0.0	-91.00	391.44	7.99	-83.01
O=C([O-])C12CC(C[NH2+]CCC3=CC=CC(Cl)=C3)(C1)OC21CCOCC1	REAL300018567999	0	49	0.0	-75.49	389.68	8.31	-67.18
O=C([O-])C12CC(C[NH2+]CC3=NOC=C3)(C1)OC21CCOCC1	REAL300018568000	0	42	0.0	-73.62	327.51	4.37	-69.25
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1F	REAL300018569256	0	45	0.0	-72.46	356.96	9.00	-63.46
CC1(C)CCCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569257	0	51	0.0	-60.81	356.40	8.73	-52.08
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])(C1)OC21CCC1	REAL300018569259	0	44	0.0	-70.07	367.47	9.39	-60.68
CC(C)=CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569260	0	51	0.0	-63.72	379.51	9.40	-54.32
CC1(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC(C)(C)C1	REAL300018569261	0	57	0.0	-64.33	400.95	9.62	-54.71
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569262	0	55	0.0	-68.99	419.80	10.49	-58.50
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(Cl)=C1OC	REAL300018569263	0	50	0.0	-71.28	405.53	8.09	-63.19
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)OC21CCC1	REAL300018569264	0	49	0.0	-72.21	398.30	10.93	-61.28
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)OC21CCC1	REAL300018569265	0	45	0.0	-71.01	368.55	9.90	-61.11
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569266	0	52	0.0	-70.84	399.53	9.14	-61.70
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)CC1=CC=C(C(C)(C)C)C=C1	REAL300018569267	0	63	0.0	-68.70	463.86	12.68	-56.02
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1F	REAL300018569268	0	45	0.0	-74.15	357.65	9.01	-65.14
CC1CCC(C)C([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569269	0	51	0.0	-63.82	362.98	8.84	-54.98
O=C([O-])C12CC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)OC21CCC1	REAL300018569270	0	46	0.0	-71.61	362.53	8.36	-63.25
O=C([O-])C12CC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)(C1)OC21CCC1	REAL300018569271	0	41	0.0	-83.99	350.98	8.11	-75.88
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3CCOCC3)(C1)OC21CCC1	REAL300018569272	0	55	0.0	-66.52	415.51	7.88	-58.64
CC1CC(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569273	0	51	0.0	-62.09	363.36	9.05	-53.04
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569274	0	54	0.0	-67.98	412.13	10.99	-56.99
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=C2)C=C1	REAL300018569275	0	55	0.0	-71.62	426.55	12.39	-59.23
CC1=CC(C)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569276	0	48	0.0	-68.22	373.75	9.63	-58.59
COC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569277	0	46	0.0	-64.28	375.83	8.19	-56.09
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1[N+](=O)[O-]	REAL300018569278	0	48	0.0	-86.95	386.46	9.04	-77.91
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)OC21CCC1	REAL300018569279	0	42	0.0	-74.86	364.63	9.36	-65.50
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569280	0	48	0.0	-66.57	363.41	9.37	-57.20
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569281	0	55	0.0	-70.37	426.99	12.39	-57.98
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)OC21CCC1	REAL300018569282	0	46	0.0	-73.91	370.19	7.89	-66.02
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OCC	REAL300018569283	0	56	0.0	-74.76	432.70	9.33	-65.43
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569284	0	54	0.0	-64.19	385.72	9.42	-54.77
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)(C1)OC21CCC1	REAL300018569285	0	45	0.0	-79.18	382.83	9.72	-69.46
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=C3Br)(C1)OC21CCC1	REAL300018569286	0	42	0.0	-69.09	353.62	8.93	-60.16
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)OC21CCC1	REAL300018569287	0	45	0.0	-81.87	370.77	7.46	-74.41
O=C([O-])C12CC(C[NH2+]CC3=CC=NC4=CC=CC=C34)(C1)OC21CCC1	REAL300018569288	0	47	0.0	-76.60	366.58	8.58	-68.02
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)(C1)OC21CCC1	REAL300018569289	0	46	0.0	-74.04	376.93	8.10	-65.94
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569290	0	48	0.0	-81.69	391.62	5.83	-75.86
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569291	0	56	0.0	-71.79	439.15	11.37	-60.42
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569292	0	55	0.0	-66.72	421.23	9.69	-57.03
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)(C1)OC21CCC1	REAL300018569293	0	49	0.0	-71.41	390.75	10.66	-60.75
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)(C1)OC21CCC1	REAL300018569294	0	52	0.0	-72.39	421.18	12.23	-60.16
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)(C1)OC21CCC1	REAL300018569295	0	52	0.0	-73.25	421.87	12.23	-61.02
CC(C)CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569296	0	53	0.0	-62.95	387.86	9.45	-53.50
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C2=CC=CC=C12	REAL300018569297	0	52	0.0	-72.04	399.46	9.81	-62.23
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569298	0	45	0.0	-67.55	364.76	9.04	-58.51
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569299	0	48	0.0	-74.88	377.39	8.69	-66.19
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)OC21CCC1	REAL300018569300	0	47	0.0	-73.19	366.82	8.14	-65.05
O=C([O-])C12CC(C[NH2+]CC3=CSC(Br)=C3)(C1)OC21CCC1	REAL300018569301	0	39	0.0	-71.92	342.59	7.99	-63.93
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC3=CC=NC=C3)(C1)OC21CCC1	REAL300018569302	0	55	0.0	-68.06	435.89	9.94	-58.12
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)(C1)OC21CCC1	REAL300018569303	0	55	0.0	-65.94	435.67	9.88	-56.06
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)OC21CCC1	REAL300018569304	0	53	0.0	-74.41	405.09	8.26	-66.15
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569305	0	50	0.0	-84.49	408.19	4.93	-79.56
O=C([O-])C12CC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)OC21CCC1	REAL300018569306	0	46	0.0	-67.27	362.12	8.33	-58.94
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)OC21CCC1	REAL300018569307	0	46	0.0	-72.40	362.53	8.38	-64.02
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569308	0	45	0.0	-75.53	353.49	6.46	-69.07
CC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569309	0	45	0.0	-61.68	355.36	8.74	-52.94
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)(C1)OC21CCC1	REAL300018569310	0	45	0.0	-73.73	370.51	7.39	-66.34
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569311	0	45	0.0	-73.26	352.40	9.04	-64.22
CC1(C)CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CC=C2O1	REAL300018569312	0	56	0.0	-71.62	421.53	10.13	-61.49
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569313	0	57	0.0	-64.26	409.37	11.23	-53.03
CN(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569314	0	50	0.0	-63.25	382.16	8.31	-54.94
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)(C1)OC21CCC1	REAL300018569315	0	51	0.0	-73.71	400.16	9.95	-63.76
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)(C1)OC21CCC1	REAL300018569316	0	51	0.0	-75.35	400.36	9.96	-65.39
CN1CCN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=C2)CC1	REAL300018569317	1	59	0.0	-69.92	440.15	7.01	-62.91
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569318	0	58	0.0	-69.12	434.13	5.82	-63.30
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)(C1)OC21CCC1	REAL300018569319	0	51	0.0	-76.60	412.35	6.81	-69.79
O=C([O-])C12CC(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)(C1)OC21CCC1	REAL300018569320	0	52	0.0	-71.70	390.84	6.14	-65.56
O=C([O-])C12CC(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)(C1)OC21CCC1	REAL300018569321	0	56	0.0	-68.44	418.54	7.04	-61.40
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)(C1)OC21CCC1	REAL300018569322	0	49	0.0	-77.32	396.18	9.59	-67.73
CC1=NNC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569323	0	45	0.0	-72.22	351.65	5.89	-66.33
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)(C1)OC21CCC1	REAL300018569324	0	49	0.0	-76.75	406.49	10.04	-66.71
CC(C)(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569325	0	51	0.0	-71.21	393.71	8.13	-63.08
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)(C1)OC21CCC1	REAL300018569326	0	49	0.0	-74.62	401.17	8.98	-65.64
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC=C3OC(F)F)(C1)OC21CCC1	REAL300018569327	0	46	0.0	-70.72	385.55	8.46	-62.26
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)(C1)OC21CCC1	REAL300018569328	0	52	0.0	-74.60	413.34	6.82	-67.78
COC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569329	0	53	0.0	-75.08	416.60	7.47	-67.61
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)(C1)OC21CCC1	REAL300018569330	0	52	0.0	-77.71	399.96	8.18	-69.53
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)(C1)OC21CCC1	REAL300018569331	0	55	0.0	-75.08	437.08	9.82	-65.26
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)(C1)OC21CCC1	REAL300018569332	0	55	0.0	-73.09	434.97	9.89	-63.20
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569334	0	51	0.0	-72.79	396.39	7.99	-64.80
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569335	0	53	0.0	-71.19	415.92	7.80	-63.39
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1Cl	REAL300018569336	0	46	0.0	-74.86	376.47	8.16	-66.70
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)(C1)OC21CCC1	REAL300018569337	0	47	0.0	-70.69	391.20	7.23	-63.46
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)(C1)OC21CCC1	REAL300018569338	0	50	0.0	-72.65	395.20	8.03	-64.62
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569339	0	54	0.0	-73.63	412.32	9.88	-63.75
COC1=NC=C(Br)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569340	0	45	0.0	-68.82	378.04	5.67	-63.15
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569341	0	45	0.0	-67.95	356.71	5.08	-62.87
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Br)C=N3)(C1)OC21CCC1	REAL300018569342	0	41	0.0	-70.72	347.23	7.09	-63.63
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCOCC4)S3)(C1)OC21CCC1	REAL300018569343	0	51	0.0	-72.18	403.80	5.63	-66.55
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)(C1)OC21CCC1	REAL300018569344	0	47	0.0	-76.74	367.03	8.56	-68.18
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)(C1)OC21CCC1	REAL300018569345	0	49	0.0	-72.65	401.86	9.00	-63.65
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569346	0	41	0.0	-69.91	336.83	6.28	-63.63
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCO4)(C1)OC21CCC1	REAL300018569347	0	48	0.0	-67.65	373.86	7.52	-60.13
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)OC21CCC1	REAL300018569348	0	51	0.0	-69.09	390.79	8.33	-60.76
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)(C1)OC21CCC1	REAL300018569349	0	49	0.0	-69.84	391.65	10.64	-59.20
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)(C1)OC21CCC1	REAL300018569350	0	49	0.0	-68.91	387.78	10.55	-58.36
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)(C1)OC21CCC1	REAL300018569351	0	50	0.0	-78.76	400.10	9.59	-69.17
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCOCC4)N=C3)(C1)OC21CCC1	REAL300018569352	0	53	0.0	-78.51	408.39	6.67	-71.84
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569353	0	54	0.0	-73.83	420.70	10.34	-63.49
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569354	0	52	0.0	-69.76	403.79	9.33	-60.43
CC(CN1C=NC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569355	0	44	0.0	-66.71	340.22	8.70	-58.01
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569356	0	51	0.0	-71.91	408.88	9.84	-62.07
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)(C1)OC21CCC1	REAL300018569357	0	49	0.0	-70.36	396.98	10.89	-59.47
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C(C4=CC=CS4)=C3)(C1)OC21CCC1	REAL300018569358	0	49	0.0	-75.88	407.64	11.09	-64.79
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=NC2=NN1	REAL300018569359	0	47	0.0	-85.97	374.23	6.88	-79.09
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569360	0	43	0.0	-76.25	341.72	6.27	-69.98
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)(C1)OC21CCC1	REAL300018569361	0	56	0.0	-71.70	425.03	10.49	-61.21
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569362	0	44	0.0	-70.57	359.12	7.03	-63.54
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)(C1)OC21CCC1	REAL300018569363	0	48	0.0	-63.07	375.54	11.45	-51.62
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2=CC=CN=C2)=N1	REAL300018569364	0	51	0.0	-71.48	404.99	7.68	-63.80
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2=CC=NC=C2)=N1	REAL300018569365	0	51	0.0	-76.06	405.03	7.72	-68.34
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CC=CN34)(C1)OC21CCC1	REAL300018569366	0	45	0.0	-76.67	357.78	8.75	-67.92
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569367	0	46	0.0	-69.83	373.16	7.32	-62.51
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569368	0	52	0.0	-69.51	400.21	9.16	-60.35
CC1=CC=C(C2=NC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CS2)C=C1	REAL300018569369	0	51	0.0	-69.41	417.42	9.82	-59.59
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569370	0	47	0.0	-67.19	378.94	7.39	-59.80
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4CC4)=N3)(C1)OC21CCC1	REAL300018569371	0	45	0.0	-65.85	365.81	7.50	-58.35
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569372	0	44	0.0	-66.33	358.98	6.78	-59.55
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569373	0	51	0.0	-69.95	394.30	10.50	-59.45
CC1=CC=CC(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569374	0	54	0.0	-66.89	409.30	11.10	-55.79
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569375	0	54	0.0	-70.52	426.62	11.43	-59.09
CC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569376	0	54	0.0	-66.75	409.30	11.10	-55.65
O=C([O-])C12CC(C[NH2+]C3CCC(F)(F)CC3)(C1)OC21CCC1	REAL300018569377	0	45	0.0	-71.22	340.94	7.81	-63.41
CC(C1=CC=CC=C1)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569378	0	57	0.0	-65.65	427.31	9.01	-56.64
O=C([O-])C12CC(C[NH2+]C3CCN(CC4CC4)CC3)(C1)OC21CCC1	REAL300018569379	1	54	0.0	-64.75	395.46	7.34	-57.41
CC(C)(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569380	0	50	0.0	-65.14	396.06	7.82	-57.32
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)(C1)OC21CCC1	REAL300018569381	0	45	0.0	-67.48	385.23	8.00	-59.48
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)(C1)OC21CCC1	REAL300018569382	0	49	0.0	-71.76	405.19	11.15	-60.61
O=C([O-])C12CC(C[NH2+]C3CCN(C4=CC=C(F)C=C4F)CC3)(C1)OC21CCC1	REAL300018569383	0	54	0.0	-71.33	415.23	9.00	-62.33
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)(C1)OC21CCC1	REAL300018569384	0	46	0.0	-77.91	366.98	6.72	-71.19
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC3CCCC3)(C1)OC21CCC1	REAL300018569385	0	56	0.0	-63.40	424.65	10.59	-52.81
O=C([O-])C12CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)OC21CCC1	REAL300018569386	0	45	0.0	-71.32	374.86	9.37	-61.95
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569387	0	50	0.0	-69.23	396.98	8.11	-61.12
CC(C)CN1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569388	1	56	0.0	-64.26	404.63	7.67	-56.59
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C(C)S1	REAL300018569389	0	45	0.0	-67.79	361.00	8.85	-58.94
CC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)S2)C=C1	REAL300018569390	0	52	0.0	-69.58	419.38	11.77	-57.81
O=C([O-])C12CC(C[NH2+]CC3=CC([N+](=O)[O-])=CC=C3OC(F)F)(C1)OC21CCC1	REAL300018569391	0	48	0.0	-78.86	397.03	8.61	-70.25
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569392	0	46	0.0	-71.49	393.45	8.79	-62.70
C#CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569393	0	48	0.0	-73.60	387.39	9.07	-64.53
CCOC1=C(OC)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OC	REAL300018569394	0	57	0.0	-79.22	444.70	8.37	-70.85
O=C([O-])C12CC(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)(C1)OC21CCC1	REAL300018569395	0	56	0.0	-68.78	417.16	6.96	-61.82
CC(C)(C)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569396	1	56	0.0	-64.40	394.05	6.82	-57.58
COCCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569397	0	56	0.0	-71.47	437.46	8.40	-63.07
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1SC	REAL300018569398	0	50	0.0	-75.37	399.85	8.65	-66.72
CCC(C)OC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1OC	REAL300018569399	0	59	0.0	-74.76	450.22	9.84	-64.92
C=C(C)COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1OC	REAL300018569400	0	57	0.0	-75.81	443.86	9.78	-66.03
O=C([O-])C12CC(C[NH2+]C3CCN(CCN4CCOCC4)CC3)(C1)OC21CCC1	REAL300018569401	0	63	0.0	-67.39	452.38	4.42	-62.97
CCOCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1OC	REAL300018569402	0	56	0.0	-69.52	434.52	8.52	-61.00
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)(C1)OC21CCC1	REAL300018569403	0	49	0.0	-78.19	390.34	8.24	-69.95
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569404	0	51	0.0	-73.83	409.14	9.27	-64.56
CCN1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569405	0	45	0.0	-69.88	352.68	7.56	-62.32
CCCC(CC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569406	0	54	0.0	-62.39	398.88	10.89	-51.50
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)(C1)OC21CCC1	REAL300018569407	0	48	0.0	-75.22	383.84	8.14	-67.08
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)(C1)OC21CCC1	REAL300018569408	0	48	0.0	-70.67	394.09	9.08	-61.59
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C	REAL300018569409	0	51	0.0	-71.70	394.64	7.95	-63.75
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569410	0	54	0.0	-71.85	426.63	11.44	-60.41
C=CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1Cl	REAL300018569411	0	50	0.0	-74.50	410.53	9.65	-64.85
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)(C1)OC21CCC1	REAL300018569412	0	48	0.0	-71.67	395.16	9.34	-62.33
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569413	0	55	0.0	-69.04	423.45	9.41	-59.63
CC(C)CCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569414	0	57	0.0	-63.69	413.23	10.48	-53.21
CCCCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569415	0	54	0.0	-63.18	395.67	10.02	-53.16
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C2OC(C)CC2=C1	REAL300018569416	0	54	0.0	-66.89	417.36	8.19	-58.70
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C2=CC=CC=C21	REAL300018569417	0	48	0.0	-70.67	380.88	8.23	-62.44
O=C([O-])C12CC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)OC21CCC1	REAL300018569418	0	45	0.0	-80.54	357.82	6.93	-73.61
O=C([O-])C12CC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)OC21CCC1	REAL300018569418	1	45	0.0	-71.56	358.26	6.98	-64.58
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1F	REAL300018569419	0	50	0.0	-75.23	392.01	7.85	-67.38
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)OC21CCC1	REAL300018569420	0	45	0.0	-71.89	368.14	7.80	-64.09
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569422	0	57	0.0	-63.73	427.62	12.05	-51.68
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CC=C2O1	REAL300018569423	0	53	0.0	-73.74	408.58	9.60	-64.14
CC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569424	0	41	0.0	-73.52	336.69	6.74	-66.78
O=C([O-])C12CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)OC21CCC1	REAL300018569425	0	48	0.0	-70.36	386.01	6.71	-63.65
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)(C1)OC21CCC1	REAL300018569426	0	45	0.0	-68.66	387.41	8.13	-60.53
CC(CC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569427	0	45	0.0	-63.54	355.27	8.55	-54.99
O=C([O-])C12CC(C[NH2+]CC3CCCCCCC3)(C1)OC21CCC1	REAL300018569428	0	54	0.0	-67.02	373.20	9.44	-57.58
CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569429	0	41	0.0	-67.33	335.94	6.01	-61.32
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569430	0	52	0.0	-72.01	408.52	8.84	-63.17
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC(C(F)(F)F)=C1	REAL300018569431	0	49	0.0	-75.55	399.73	8.66	-66.89
CC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569432	0	44	0.0	-72.51	341.07	7.16	-65.35
CC(CSC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569433	0	51	0.0	-60.73	386.11	9.06	-51.67
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N1C	REAL300018569434	0	50	0.0	-74.62	383.41	7.72	-66.90
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)(C1)OC21CCC1	REAL300018569435	0	49	0.0	-74.61	389.85	8.62	-65.99
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569436	0	55	0.0	-70.74	423.20	10.02	-60.72
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569437	0	53	0.0	-73.12	415.23	7.79	-65.33
COCC(CC(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569438	0	51	0.0	-62.61	376.29	6.99	-55.62
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569439	0	51	0.0	-63.57	401.54	11.04	-52.53
CC1(C)CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569440	0	54	0.0	-66.81	385.30	9.53	-57.28
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)(C1)OC21CCC1	REAL300018569441	0	46	0.0	-75.78	385.53	8.42	-67.36
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569442	0	53	0.0	-66.98	396.84	9.30	-57.68
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)OC21CCC1	REAL300018569443	0	49	0.0	-69.34	376.68	10.26	-59.08
CC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569444	0	51	0.0	-63.38	381.70	10.08	-53.30
CC1=CC=CC(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569445	0	51	0.0	-63.78	387.18	10.31	-53.47
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C1(CCC1)O3)OCO2	REAL300018569446	0	49	0.0	-71.04	385.27	6.37	-64.67
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OC	REAL300018569447	0	50	0.0	-69.81	401.51	7.99	-61.82
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)SC=C1	REAL300018569448	0	43	0.0	-62.42	351.05	6.73	-55.69
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569449	0	55	0.0	-69.52	423.89	10.03	-59.49
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)OC21CCC1	REAL300018569450	0	48	0.0	-75.36	376.65	10.49	-64.87
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1CN1C=CC=N1	REAL300018569451	0	56	0.0	-77.19	443.02	9.29	-67.90
O=C([O-])C12CC(C[NH2+]CCC3CCOCC3)(C1)OC21CCC1	REAL300018569452	0	49	0.0	-70.16	363.68	6.84	-63.32
O=C([O-])C12CC(C[NH2+]CC3CCSCC3)(C1)OC21CCC1	REAL300018569453	0	46	0.0	-71.54	350.83	8.35	-63.19
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569454	0	55	0.0	-63.57	422.54	10.09	-53.48
O=C([O-])C12CC(C[NH2+]CC3CCCCCC3)(C1)OC21CCC1	REAL300018569455	0	51	0.0	-66.77	363.34	9.06	-57.71
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=C2O1	REAL300018569456	0	53	0.0	-64.86	408.38	9.57	-55.29
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)(C1)OC21CCC1	REAL300018569457	0	41	0.0	-64.22	354.39	7.35	-56.87
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)OC21CCC1	REAL300018569458	0	48	0.0	-67.43	379.45	8.05	-59.38
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Br)(C1)OC21CCC1	REAL300018569459	0	41	0.0	-69.55	342.62	7.08	-62.47
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Cl)(C1)OC21CCC1	REAL300018569460	0	41	0.0	-70.22	339.01	6.98	-63.24
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)N1CCOCC1	REAL300018569461	0	54	0.0	-67.43	384.37	5.36	-62.07
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC(Br)=C3)(C1)OC21CCC1	REAL300018569462	0	42	0.0	-75.91	358.87	9.04	-66.87
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCCC1	REAL300018569463	0	51	0.0	-61.72	363.37	8.87	-52.85
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=NN1C	REAL300018569464	0	45	0.0	-68.03	353.53	6.53	-61.50
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569465	0	48	0.0	-66.39	385.82	10.04	-56.35
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2=CC=CC=C2)=N1	REAL300018569466	0	52	0.0	-72.18	410.24	9.46	-62.72
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569467	0	46	0.0	-76.50	363.89	6.89	-69.61
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)OC21CCC1	REAL300018569468	0	49	0.0	-72.36	389.35	9.50	-62.86
CCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569469	0	45	0.0	-73.05	353.05	8.38	-64.67
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N1C	REAL300018569470	0	45	0.0	-73.11	350.67	7.28	-65.83
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)OC21CCC1	REAL300018569471	0	47	0.0	-76.56	371.94	8.79	-67.77
CC1=C(Br)SC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569472	0	42	0.0	-72.07	362.67	8.79	-63.28
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)OC21CCC1	REAL300018569473	0	45	0.0	-80.01	357.29	7.05	-72.96
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CNN=C43)(C1)OC21CCC1	REAL300018569474	0	45	0.0	-65.86	357.21	6.99	-58.87
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCN34)(C1)OC21CCC1	REAL300018569475	0	46	0.0	-73.46	356.94	7.89	-65.57
CS(=O)(=O)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569476	0	50	0.0	-78.58	383.99	4.11	-74.47
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=N3)(C1)OC21CCC1	REAL300018569477	0	41	0.0	-71.38	332.31	6.56	-64.82
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)SC=N1	REAL300018569478	0	41	0.0	-71.17	335.08	6.11	-65.06
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569479	0	46	0.0	-73.37	366.85	7.68	-65.69
CC(CC1=CN=CC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569480	0	46	0.0	-62.32	353.45	6.68	-55.64
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569481	0	52	0.0	-75.75	401.87	8.25	-67.50
COC1=CC=CC=C1N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569482	0	58	0.0	-68.61	426.84	8.21	-60.40
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(Cl)=C1	REAL300018569483	0	45	0.0	-64.93	365.05	9.42	-55.51
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569484	0	50	0.0	-69.74	398.30	7.23	-62.51
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)(C1)OC21CCC1	REAL300018569485	0	46	0.0	-64.78	383.13	8.40	-56.38
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)(C1)OC21CCC1	REAL300018569486	0	44	0.0	-88.25	371.61	9.35	-78.90
O=C([O-])C12CC(C[NH2+]CCC3=CC=CC(Cl)=C3)(C1)OC21CCC1	REAL300018569487	0	45	0.0	-71.79	369.17	9.59	-62.20
O=C([O-])C12CC(C[NH2+]C3CCCC3C3=CC=CC=C3)(C1)OC21CCC1	REAL300018569488	0	52	0.0	-63.15	387.46	10.53	-52.62
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1OC1=CC=CN=C1	REAL300018569489	0	55	0.0	-74.01	436.24	10.18	-63.83
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)S2)C=C1	REAL300018569490	0	51	0.0	-71.48	416.56	10.02	-61.46
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)(C1)OC21CCC1	REAL300018569491	0	47	0.0	-66.10	387.70	9.38	-56.72
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)(C1)OC21CCC1	REAL300018569492	0	47	0.0	-58.98	384.07	9.25	-49.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(C1)OC21CCC1	REAL300018569493	0	47	0.0	-68.39	376.35	8.89	-59.50
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(C1)OC21CCC1	REAL300018569494	0	47	0.0	-67.14	377.39	8.94	-58.20
O=C([O-])C12CC(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)(C1)OC21CCC1	REAL300018569495	0	47	0.0	-67.72	385.20	9.27	-58.45
CS(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569496	0	47	0.0	-81.92	382.46	6.89	-75.03
O=C([O-])C12CC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)(C1)OC21CCC1	REAL300018569497	0	44	0.0	-79.68	371.86	9.42	-70.26
CC(C)CCN1C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569498	0	55	0.0	-68.39	418.06	10.70	-57.69
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)(C1)OC21CCC1	REAL300018569499	0	49	0.0	-71.35	404.09	10.33	-61.02
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569500	0	52	0.0	-72.49	418.13	10.94	-61.55
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)O2)C=C1	REAL300018569501	0	55	0.0	-70.86	434.06	11.64	-59.22
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(OC(F)F)=C1	REAL300018569502	0	50	0.0	-72.86	398.30	7.24	-65.62
CCC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CCO1	REAL300018569503	0	49	0.0	-66.69	362.90	6.90	-59.79
CC(C)C1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CCO1	REAL300018569504	0	52	0.0	-66.72	378.66	7.49	-59.23
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2=CC=CC=C2)=N1	REAL300018569505	0	55	0.0	-72.12	432.13	10.38	-61.74
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCCC4=C3)(C1)OC21CCC1	REAL300018569506	0	52	0.0	-68.17	393.63	10.80	-57.37
O=C([O-])C12CC(C[NH2+]C3CCC(C4CCCCC4)CC3)(C1)OC21CCC1	REAL300018569507	0	61	0.0	-64.48	427.35	11.30	-53.18
CC(C)CC(C)CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569508	0	56	0.0	-63.63	401.42	9.64	-53.99
CC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569509	0	51	0.0	-68.20	388.35	10.28	-57.92
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1C(C)(C)C	REAL300018569510	0	58	0.0	-70.32	431.61	10.29	-60.03
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569511	0	46	0.0	-70.73	367.26	6.33	-64.40
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569512	0	55	0.0	-69.17	411.33	9.45	-59.72
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCCCC1	REAL300018569513	0	54	0.0	-66.24	386.10	9.73	-56.51
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569514	0	47	0.0	-82.80	385.11	3.27	-79.53
CCC(CC)(CC)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569515	0	53	0.0	-63.53	368.77	8.78	-54.75
O=C([O-])C12CC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)(C1)OC21CCC1	REAL300018569516	0	49	0.0	-68.01	382.35	10.26	-57.75
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1	REAL300018569517	0	52	0.0	-70.25	397.11	9.16	-61.09
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569518	0	49	0.0	-63.92	380.49	8.34	-55.58
O=C([O-])C12CC(C[NH2+]CC3CCC4=CC=CC=C4C3)(C1)OC21CCC1	REAL300018569519	0	52	0.0	-71.35	389.85	10.76	-60.59
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569520	0	44	0.0	-73.66	372.83	7.45	-66.21
O=C([O-])C12CC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)(C1)OC21CCC1	REAL300018569521	0	52	0.0	-70.50	396.17	10.67	-59.83
CC1=NC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569522	0	44	0.0	-71.68	347.39	4.42	-67.26
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569523	0	46	0.0	-68.32	375.66	7.15	-61.17
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569524	0	48	0.0	-66.80	386.02	9.77	-57.03
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N=C1	REAL300018569525	0	44	0.0	-66.80	347.35	7.13	-59.67
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569526	0	48	0.0	-70.14	371.79	8.12	-62.02
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=CC=C1[N+](=O)[O-]	REAL300018569527	0	47	0.0	-82.38	368.56	9.43	-72.95
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1Br	REAL300018569528	0	45	0.0	-72.95	370.42	9.49	-63.46
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1Cl	REAL300018569529	0	46	0.0	-76.20	376.47	8.16	-68.04
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569530	0	42	0.0	-68.34	342.80	8.06	-60.28
COC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569531	0	49	0.0	-63.91	376.33	8.23	-55.68
O=C([O-])C12CC(C[NH2+]CC3=C4OC=CC4=CC=C3)(C1)OC21CCC1	REAL300018569532	0	45	0.0	-68.18	358.28	8.63	-59.55
O=C([O-])C12CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(C1)OC21CCC1	REAL300018569533	0	49	0.0	-69.97	389.83	9.43	-60.54
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)OC21CCC1	REAL300018569534	0	41	0.0	-77.89	356.20	6.73	-71.16
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569535	0	48	0.0	-73.00	375.12	7.49	-65.51
O=C([O-])C12CC(C[NH2+]CC3=NN4CCCCC4=C3)(C1)OC21CCC1	REAL300018569536	0	49	0.0	-66.73	375.53	7.64	-59.09
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569537	0	48	0.0	-68.12	373.82	9.74	-58.38
COC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569538	0	42	0.0	-72.25	347.64	3.92	-68.33
O=C([O-])C12CC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)(C1)OC21CCC1	REAL300018569539	0	46	0.0	-72.77	369.39	9.88	-62.89
CC1=NC=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569540	0	43	0.0	-70.31	337.90	5.11	-65.20
O=C([O-])C12CC(C[NH2+]C3CCC4(CC4)CC3)(C1)OC21CCC1	REAL300018569541	0	49	0.0	-65.53	361.47	9.04	-56.49
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)(C1)OC21CCC1	REAL300018569542	0	47	0.0	-70.44	370.37	5.67	-64.77
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)(C1)OC21CCC1	REAL300018569543	0	45	0.0	-75.40	374.50	9.25	-66.15
O=C([O-])C12CC(C[NH2+]C3C[C@@H]4CC[C@@H](C4)C3)(C1)OC21CCC1	REAL300018569544	0	49	0.0	-57.91	331.75	9.14	-48.77
CC1=CC=CN2C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CN=C12	REAL300018569545	0	48	0.0	-76.41	379.22	9.34	-67.07
CCN1N=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569546	0	44	0.0	-75.61	344.36	7.48	-68.13
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CN=C1Cl	REAL300018569547	0	42	0.0	-77.55	347.26	7.18	-70.37
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CN=C1Br	REAL300018569548	0	42	0.0	-77.56	351.55	7.20	-70.36
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)(C1)OC21CCC1	REAL300018569549	0	48	0.0	-77.48	389.45	8.22	-69.26
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(C1)OC21CCC1	REAL300018569550	0	42	0.0	-81.35	352.00	5.65	-75.70
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N1C	REAL300018569551	0	45	0.0	-69.84	349.67	7.12	-62.72
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(C1)OC21CCC1	REAL300018569552	0	46	0.0	-77.20	369.56	8.37	-68.83
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(C1)OC21CCC1	REAL300018569553	0	46	0.0	-77.79	369.46	8.37	-69.42
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569554	0	48	0.0	-69.16	378.38	5.87	-63.29
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569555	0	45	0.0	-71.24	360.40	9.30	-61.94
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4S3)(C1)OC21CCC1	REAL300018569556	0	44	0.0	-74.96	363.06	8.06	-66.90
CC1=CC=CC2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)N21	REAL300018569557	0	48	0.0	-74.63	368.29	9.13	-65.50
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569558	0	54	0.0	-71.10	414.30	9.01	-62.09
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CC1(C)C	REAL300018569559	0	51	0.0	-62.00	361.29	8.79	-53.21
C=CCCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569560	0	54	0.0	-63.13	404.60	10.29	-52.84
C=CCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569561	0	51	0.0	-63.53	383.10	9.51	-54.02
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569562	0	45	0.0	-71.98	369.31	9.52	-62.46
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569563	0	49	0.0	-70.83	386.00	8.04	-62.79
COCC(CC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569564	0	54	0.0	-59.25	390.12	7.81	-51.44
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)OC21CCC1	REAL300018569565	0	47	0.0	-82.60	378.35	8.75	-73.85
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC2=CC=CN=C12	REAL300018569566	0	50	0.0	-76.66	392.18	9.50	-67.16
CC(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569567	0	54	0.0	-63.19	379.27	9.62	-53.57
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)SN=N1	REAL300018569568	0	40	0.0	-79.32	330.33	5.51	-73.81
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1C	REAL300018569569	0	55	0.0	-70.99	423.86	10.08	-60.91
COC1=C(C)C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C	REAL300018569570	0	51	0.0	-67.16	391.82	7.07	-60.09
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569571	0	52	0.0	-67.80	404.82	9.94	-57.86
O=C([O-])C12CC(C[NH2+]C3CCCCC34CCCC4)(C1)OC21CCC1	REAL300018569572	0	55	0.0	-60.67	379.73	9.99	-50.68
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569573	0	51	0.0	-62.97	362.44	9.15	-53.82
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569574	0	45	0.0	-80.29	384.03	4.99	-75.30
NC1=C(F)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569575	0	44	0.0	-71.56	346.96	6.43	-65.13
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CCN1CC1=CC=CC=C1	REAL300018569576	0	60	0.0	-66.31	440.09	9.49	-56.82
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(C1)OC21CCC1	REAL300018569577	0	45	0.0	-73.30	363.13	9.18	-64.12
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)OC21CCC1	REAL300018569578	0	44	0.0	-77.26	370.35	6.28	-70.98
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCC4)(C1)OC21CCC1	REAL300018569579	0	49	0.0	-68.05	375.24	10.14	-57.91
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C([N+](=O)[O-])=N1	REAL300018569580	0	44	0.0	-80.31	359.35	7.74	-72.57
O=C([O-])C12CC(C[NH2+]CC3=NC(Cl)=CS3)(C1)OC21CCC1	REAL300018569581	0	38	0.0	-71.33	331.12	5.84	-65.49
COC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569582	0	42	0.0	-74.89	347.45	4.24	-70.65
O=C([O-])C12CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(C1)OC21CCC1	REAL300018569583	0	47	0.0	-68.64	367.09	8.56	-60.08
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569584	0	46	0.0	-60.81	373.38	8.12	-52.69
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N1C1=CC=CC=C1	REAL300018569585	0	52	0.0	-67.49	409.17	10.59	-56.90
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=NN1C	REAL300018569586	0	45	0.0	-72.22	350.77	6.62	-65.60
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C	REAL300018569587	0	54	0.0	-71.15	415.10	8.67	-62.48
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1F	REAL300018569588	0	56	0.0	-74.16	431.40	9.48	-64.68
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C12CCCC2	REAL300018569589	0	56	0.0	-62.06	410.86	9.38	-52.68
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C(SC)C=C1OC	REAL300018569590	0	54	0.0	-68.54	425.24	8.44	-60.10
CN(C)C1=CC=C(N2CCC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)CC2)C=C1	REAL300018569591	0	62	0.0	-68.67	450.89	9.03	-59.64
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569592	0	53	0.0	-70.17	406.71	10.85	-59.32
O=C([O-])C12CC(C[NH2+]C3CC4CCC(C4)C3)(C1)OC21CCC1	REAL300018569593	0	49	0.0	-57.48	331.37	9.18	-48.30
O=C([O-])C12CC(C[NH2+]C3CCCC34CCCC4)(C1)OC21CCC1	REAL300018569594	0	52	0.0	-60.64	367.45	9.72	-50.92
CCCC(C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=CC=C1	REAL300018569595	0	54	0.0	-69.47	407.98	11.03	-58.44
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC(C2=CC=CC=C2)C1	REAL300018569596	0	58	0.0	-64.48	410.45	12.26	-52.22
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)O3)(C1)OC21CCC1	REAL300018569597	0	45	0.0	-72.42	359.65	5.61	-66.81
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569598	0	52	0.0	-65.99	405.26	9.29	-56.70
CC(C)(C)C1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569599	0	51	0.0	-64.86	370.99	8.89	-55.97
O=C([O-])C12CC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)(C1)OC21CCC1	REAL300018569600	0	44	0.0	-72.00	369.02	7.83	-64.17
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)(C1)OC21CCC1	REAL300018569601	0	46	0.0	-71.72	375.22	8.02	-63.70
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC2=CC=CC=C21	REAL300018569602	0	52	0.0	-73.80	405.41	9.91	-63.89
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569603	0	48	0.0	-73.70	377.22	6.71	-66.99
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569604	0	49	0.0	-73.91	388.94	8.65	-65.26
COC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569605	0	52	0.0	-71.32	396.43	8.88	-62.44
CN1N=C(C2CC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569606	0	49	0.0	-75.62	382.46	7.97	-67.65
O=C([O-])C12CC(C[NH2+]C3CCC4(CCCCC4)CC3)(C1)OC21CCC1	REAL300018569608	0	58	0.0	-63.93	396.70	10.10	-53.83
CC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C(C)C1=CC=CC=C1	REAL300018569609	0	51	0.0	-64.89	380.78	9.95	-54.94
O=C([O-])C12CC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)(C1)OC21CCC1	REAL300018569610	0	50	0.0	-74.06	383.94	9.37	-64.69
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569611	0	57	0.0	-65.94	424.94	8.32	-57.62
COC1=CC=CC2=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=CC=C12	REAL300018569612	0	52	0.0	-72.82	400.33	9.80	-63.02
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC3CC3)(C1)OC21CCC1	REAL300018569613	0	49	0.0	-72.36	380.46	8.37	-63.99
CC(CCC1=CC=CN=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569614	0	50	0.0	-70.51	382.73	8.64	-61.87
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569615	0	51	0.0	-68.13	391.15	10.23	-57.90
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569616	0	44	0.0	-80.34	366.77	1.41	-78.93
O=C([O-])C12CC(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)(C1)OC21CCC1	REAL300018569617	0	53	0.0	-70.77	409.65	11.33	-59.44
O=C([O-])C12CC(C[NH2+]C3CCC4(CCOCC4)CC3)(C1)OC21CCC1	REAL300018569618	0	56	0.0	-66.99	388.22	7.75	-59.24
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C	REAL300018569619	0	48	0.0	-72.72	369.47	6.47	-66.25
NC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569620	0	44	0.0	-70.46	355.87	6.91	-63.55
CCC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569621	0	45	0.0	-70.43	352.13	6.34	-64.09
O=C([O-])C12CC(C[NH2+]CCC3=CC=C(F)C=C3Cl)(C1)OC21CCC1	REAL300018569622	0	45	0.0	-71.52	372.60	9.56	-61.96
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4O3)(C1)OC21CCC1	REAL300018569623	0	44	0.0	-75.94	353.54	7.10	-68.84
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)OC21CCC1	REAL300018569624	0	42	0.0	-74.35	361.81	8.61	-65.74
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)NC2=CC=C1	REAL300018569625	0	49	0.0	-74.71	384.01	8.94	-65.77
CCOC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569626	0	52	0.0	-63.87	382.05	7.81	-56.06
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)OC21CCC1	REAL300018569627	0	42	0.0	-75.37	361.55	8.45	-66.92
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1	REAL300018569628	0	55	0.0	-70.65	418.84	9.99	-60.66
CC1=C(C)NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569629	0	45	0.0	-70.93	352.03	6.16	-64.77
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OC1CC1	REAL300018569630	0	54	0.0	-76.63	420.72	9.18	-67.45
O=C([O-])C12CC(C[NH2+]C3CCC4(CCCC4)CC3)(C1)OC21CCC1	REAL300018569631	0	55	0.0	-64.25	386.17	9.81	-54.44
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(C1)OC21CCC1	REAL300018569632	0	44	0.0	-78.14	358.95	7.42	-70.72
O=C([O-])C12CC(C[NH2+]C3CCC4=CC=CC=C4CC3)(C1)OC21CCC1	REAL300018569633	0	52	0.0	-68.21	382.26	10.26	-57.95
O=C([O-])C12CC(C[NH2+]CC3=NC=C(Br)S3)(C1)OC21CCC1	REAL300018569634	0	38	0.0	-69.94	335.84	6.15	-63.79
CCC1(C)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569635	0	54	0.0	-64.39	377.33	9.04	-55.35
O=C([O-])C12CC(C[NH2+]C3CCCC4=CC=CC=C4C3)(C1)OC21CCC1	REAL300018569636	0	52	0.0	-67.10	382.42	10.26	-56.84
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C(F)F)=N1	REAL300018569637	0	45	0.0	-71.94	361.39	7.02	-64.92
CC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1CCCCCC1	REAL300018569638	0	54	0.0	-63.46	375.45	9.52	-53.94
CC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018569639	0	54	0.0	-65.40	416.38	10.66	-54.74
CCC1(CC)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569640	0	57	0.0	-64.77	392.49	9.56	-55.21
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCOC4)(C1)OC21CCC1	REAL300018569641	0	50	0.0	-71.22	377.95	8.32	-62.90
O=C([O-])C12CC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)(C1)OC21CCC1	REAL300018569642	0	49	0.0	-72.88	386.52	10.49	-62.39
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569643	0	51	0.0	-68.34	394.58	10.01	-58.33
NS(=O)(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569644	0	47	0.0	-80.93	385.17	3.25	-77.68
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569645	0	48	0.0	-73.36	370.14	7.59	-65.77
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)NC2=C1	REAL300018569646	0	49	0.0	-74.39	384.42	8.95	-65.44
O=C([O-])C12CC(C[NH2+]CC3=C4CCCN4N=C3)(C1)OC21CCC1	REAL300018569647	0	46	0.0	-71.70	357.41	6.91	-64.79
O=C([O-])C12CC(C[NH2+]CC3=NN4CCCC4=C3)(C1)OC21CCC1	REAL300018569648	0	46	0.0	-67.77	357.47	6.82	-60.95
O=C([O-])C12CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)OC21CCC1	REAL300018569649	0	41	0.0	-72.73	354.71	6.59	-66.14
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)(C1)OC21CCC1	REAL300018569650	0	46	0.0	-70.50	374.35	8.04	-62.46
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569651	0	50	0.0	-79.99	390.18	9.96	-70.03
O=C([O-])C12CC(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)(C1)OC21CCC1	REAL300018569652	0	58	0.0	-67.47	419.39	11.57	-55.90
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569653	0	51	0.0	-64.47	371.15	8.95	-55.52
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CN=C4O3)(C1)OC21CCC1	REAL300018569654	0	44	0.0	-76.49	353.58	5.78	-70.71
CC1=CC(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=C2)=CC(C)=C1	REAL300018569655	0	58	0.0	-71.80	447.96	13.05	-58.75
O=C([O-])C12CC(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)(C1)OC21CCC1	REAL300018569656	0	52	0.0	-67.30	405.21	11.11	-56.19
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1N1C=NC=N1	REAL300018569657	0	51	0.0	-79.84	399.88	11.76	-68.08
CC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569658	0	51	0.0	-63.70	361.68	8.70	-55.00
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569659	0	54	0.0	-63.68	379.09	9.28	-54.40
CC1(C)CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569660	0	54	0.0	-64.17	377.47	9.12	-55.05
CC(C)(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC1	REAL300018569661	0	60	0.0	-64.03	411.18	10.17	-53.86
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CCN1C	REAL300018569662	1	50	0.0	-64.67	362.65	5.74	-58.93
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(C1)OC21CCC1	REAL300018569663	0	45	0.0	-74.97	365.23	8.90	-66.07
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(C1)OC21CCC1	REAL300018569664	0	49	0.0	-76.08	394.61	8.84	-67.24
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)(C1)OC21CCC1	REAL300018569665	0	49	0.0	-76.70	395.03	6.66	-70.04
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(Br)=C1	REAL300018569666	0	46	0.0	-67.41	376.70	8.15	-59.26
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569667	0	49	0.0	-70.18	386.00	8.03	-62.15
CN(C)CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CS1	REAL300018569668	0	49	0.0	-66.89	392.15	4.80	-62.09
O=C([O-])C12CC(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)(C1)OC21CCC1	REAL300018569669	0	53	0.0	-74.83	430.84	12.40	-62.43
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C(OC(F)F)C=C1C	REAL300018569670	0	52	0.0	-68.84	407.91	9.17	-59.67
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569671	0	59	0.0	-68.86	442.12	9.48	-59.38
CC1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569672	0	48	0.0	-69.25	373.85	9.76	-59.49
CCCCC(C)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569673	0	53	0.0	-63.02	381.91	9.21	-53.81
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OC	REAL300018569674	0	53	0.0	-73.55	404.47	8.12	-65.43
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C3CC3)(C1)OC21CCC1	REAL300018569675	0	49	0.0	-67.07	373.97	10.31	-56.76
CC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569676	0	42	0.0	-69.56	362.48	8.76	-60.80
O=C([O-])C12CC(C[NH2+]CCC3=CC=C(F)C=C3F)(C1)OC21CCC1	REAL300018569677	0	45	0.0	-72.23	364.31	9.19	-63.04
CC1=CC(C)=CC(CC[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569678	0	51	0.0	-69.11	394.57	10.39	-58.72
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)(C1)OC21CCC1	REAL300018569679	0	49	0.0	-70.76	403.90	8.70	-62.06
O=C([O-])C12CC(C[NH2+]C3CCCCC3C3=CC=CC=C3Cl)(C1)OC21CCC1	REAL300018569680	0	55	0.0	-61.43	417.98	11.53	-49.90
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1OC	REAL300018569681	0	59	0.0	-69.64	442.04	9.41	-60.23
COC1=CC=C(N2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=N2)C=C1	REAL300018569682	0	53	0.0	-77.22	419.25	8.82	-68.40
CC(CCC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569683	0	48	0.0	-67.00	377.88	9.37	-57.63
COCCC1=CC=C(OCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569684	0	59	0.0	-68.45	452.67	9.06	-59.39
O=C([O-])C12CC(C[NH2+]CC3=C(F)C=NC=C3Br)(C1)OC21CCC1	REAL300018569685	0	41	0.0	-65.81	349.86	7.11	-58.70
O=C([O-])C12CC(C[NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)(C1)OC21CCC1	REAL300018569686	0	55	0.0	-69.29	423.79	11.66	-57.63
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(C1)OC21CCC1	REAL300018569687	0	46	0.0	-71.92	377.71	7.17	-64.75
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(C1)OC21CCC1	REAL300018569688	0	48	0.0	-77.53	387.12	6.55	-70.98
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569689	0	48	0.0	-67.12	368.36	7.33	-59.79
CN1N=CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CN=C21	REAL300018569690	0	47	0.0	-81.87	375.48	7.48	-74.39
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569691	0	51	0.0	-69.98	399.77	10.54	-59.44
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569692	0	52	0.0	-59.22	420.38	11.05	-48.17
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569693	1	62	0.0	-67.01	451.07	10.54	-56.47
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569694	0	54	0.0	-70.76	422.47	11.22	-59.54
COCC(CC1CCOCC1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569695	0	56	0.0	-65.70	409.37	6.65	-59.05
CN1C=C(CCC[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569696	0	48	0.0	-73.66	376.76	7.65	-66.01
O=C([O-])C12CC(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)(C1)OC21CCC1	REAL300018569697	0	52	0.0	-63.03	402.19	11.00	-52.03
CN1CCN(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=N2)CC1	REAL300018569698	0	57	0.0	-77.76	434.31	6.59	-71.17
O=C([O-])C12CC(C[NH2+]C3CC=C(C4=CC=C(Cl)C=C4)CC3)(C1)OC21CCC1	REAL300018569699	0	53	0.0	-69.87	419.97	11.78	-58.09
O=C([O-])C12CC(C[NH2+]CC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)(C1)OC21CCC1	REAL300018569700	0	55	0.0	-71.45	430.22	9.81	-61.64
CC1CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C1(CCC1)O3)=N2	REAL300018569701	0	51	0.0	-67.38	400.25	8.66	-58.72
CCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)S1	REAL300018569702	0	44	0.0	-66.72	357.54	7.00	-59.72
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)N=C3)(C1)OC21CCC1	REAL300018569703	0	41	0.0	-80.32	332.42	6.51	-73.81
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3CCCCC3)(C1)OC21CCC1	REAL300018569704	0	57	0.0	-63.39	424.75	10.36	-53.03
O=C([O-])C12CC(C[NH2+]C3CCC4COCCC4C3)(C1)OC21CCC1	REAL300018569705	0	53	0.0	-67.07	376.12	7.85	-59.22
CC1(C)CC2(CC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C2)CO1	REAL300018569706	0	53	0.0	-68.41	394.20	7.87	-60.54
CC1CC2(CC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C2)CO1	REAL300018569707	0	50	0.0	-68.22	373.80	7.19	-61.03
O=C([O-])C12CC(C[NH2+]C3CCOC4=CC=CC=C4C3)(C1)OC21CCC1	REAL300018569708	0	50	0.0	-68.49	375.57	8.57	-59.92
O=C([O-])C12CC(C[NH2+]C3CCCC4=C(C=CS4)C3)(C1)OC21CCC1	REAL300018569709	0	49	0.0	-67.58	374.67	9.53	-58.05
CN1C=NC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=C21	REAL300018569710	0	48	0.0	-75.81	369.34	9.56	-66.25
COC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569711	0	49	0.0	-68.32	375.21	8.23	-60.09
O=C([O-])C12CC(C[NH2+]CC3=NOC(C4CCC4)=C3)(C1)OC21CCC1	REAL300018569712	0	48	0.0	-67.97	374.50	8.52	-59.45
CC1(C2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=NO2)CC1	REAL300018569713	0	48	0.0	-68.88	378.52	8.47	-60.41
CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569714	0	48	0.0	-66.58	364.43	9.59	-56.99
CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569715	0	45	0.0	-73.09	358.99	9.09	-64.00
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1C	REAL300018569716	0	51	0.0	-66.74	380.49	10.03	-56.71
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569717	0	54	0.0	-62.90	385.50	10.69	-52.21
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCCCN34)(C1)OC21CCC1	REAL300018569718	0	52	0.0	-73.87	387.18	8.75	-65.12
COC1=CC=C2SC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CC2=C1	REAL300018569719	0	49	0.0	-72.62	398.10	9.18	-63.44
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CC3)(C1)OC21CCC1	REAL300018569720	0	45	0.0	-75.31	358.22	7.93	-67.38
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)(C1)OC21CCC1	REAL300018569721	0	48	0.0	-78.03	384.32	9.43	-68.60
CCN1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=CC=C21	REAL300018569722	0	54	0.0	-70.19	403.38	8.44	-61.75
CC1(C)CC2(CO1)CCC([NH2+]CC13CC(C(=O)[O-])(C1)C1(CCC1)O3)CC2	REAL300018569723	0	59	0.0	-69.25	414.96	8.57	-60.68
CSC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1Cl	REAL300018569724	0	46	0.0	-75.28	386.16	9.77	-65.51
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1C1CC1	REAL300018569725	0	52	0.0	-68.57	397.36	10.93	-57.64
COC1=CC=CC2=C1CCCC([NH2+]CC13CC(C(=O)[O-])(C1)C1(CCC1)O3)C2	REAL300018569726	0	56	0.0	-68.94	410.02	9.72	-59.22
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=N1	REAL300018569727	0	48	0.0	-74.82	379.18	5.93	-68.89
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1C1CC1	REAL300018569728	0	52	0.0	-68.58	397.37	10.93	-57.65
CC1=NN(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C(C)=C2)C=C1	REAL300018569729	0	55	0.0	-77.59	426.27	10.75	-66.84
CC(C)CC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569730	0	54	0.0	-62.46	386.08	10.10	-52.36
O=C([O-])C12CC(C[NH2+]C3CC(C4CCC4)C3)(C1)OC21CCC1	REAL300018569731	0	49	0.0	-63.20	363.61	9.14	-54.06
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)(C1)OC21CCC1	REAL300018569732	0	52	0.0	-73.59	401.63	4.73	-68.86
O=C([O-])C12CC(C[NH2+]CC3=NOC(C4CC4)=C3)(C1)OC21CCC1	REAL300018569733	0	45	0.0	-69.02	359.51	8.04	-60.98
CC1OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=C2C1C	REAL300018569734	0	53	0.0	-73.67	404.56	9.46	-64.21
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OC(F)F	REAL300018569735	0	49	0.0	-69.68	390.27	8.63	-61.05
CC(C)C1=CC=C(O)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569736	0	52	0.0	-68.28	398.82	7.61	-60.67
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)NN=C1C(F)(F)F	REAL300018569737	0	45	0.0	-80.41	367.84	6.27	-74.14
O=C([O-])C12CC(C[NH2+]C3CCC4(CCC4)CC3)(C1)OC21CCC1	REAL300018569738	0	52	0.0	-64.63	373.69	9.33	-55.30
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1O	REAL300018569739	0	46	0.0	-70.81	361.34	6.20	-64.61
O=C([O-])C12CC(C[NH2+]CC3=NC(C4CC4)=CS3)(C1)OC21CCC1	REAL300018569740	0	45	0.0	-68.42	366.57	7.52	-60.90
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CC4)N=N3)(C1)OC21CCC1	REAL300018569741	0	48	0.0	-74.42	379.67	7.22	-67.20
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOC4=C3)(C1)OC21CCC1	REAL300018569742	0	47	0.0	-71.95	367.02	8.20	-63.75
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)N3)(C1)OC21CCC1	REAL300018569743	0	49	0.0	-70.95	373.89	7.38	-63.57
O=C([O-])C12CC(C[NH2+]CC3=CC=C4COCCC4=C3)(C1)OC21CCC1	REAL300018569744	0	50	0.0	-71.32	384.65	8.39	-62.93
CC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569745	0	45	0.0	-65.50	353.25	8.84	-56.66
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C3CCC3)(C1)OC21CCC1	REAL300018569746	0	52	0.0	-67.96	390.58	10.81	-57.15
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2CCOCC2)=N1	REAL300018569747	0	56	0.0	-76.60	428.95	7.50	-69.10
O=C([O-])C12CC(C[NH2+]CC3=CN=CC(C4=CC=CN=C4)=C3)(C1)OC21CCC1	REAL300018569748	0	50	0.0	-77.48	395.22	8.15	-69.33
O=C([O-])C12CC(C[NH2+]C3CC(COCC4=CC=CC=C4)C3)(C1)OC21CCC1	REAL300018569749	0	56	0.0	-67.04	431.34	10.18	-56.86
CSC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569750	0	46	0.0	-70.06	371.15	9.32	-60.74
CC(C)(C)N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569751	0	51	0.0	-71.33	378.17	8.01	-63.32
O=C([O-])C12CC(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)(C1)OC21CCC1	REAL300018569752	0	49	0.0	-71.67	384.96	10.35	-61.32
CC1(C)C2CC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)CC21	REAL300018569753	0	49	0.0	-63.89	357.18	8.81	-55.08
CC(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N(C)N=C1	REAL300018569754	0	51	0.0	-75.27	393.33	7.84	-67.43
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2)C(C)CC1=CC=CC=C1	REAL300018569755	0	57	0.0	-64.93	415.13	11.43	-53.50
CCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569756	0	45	0.0	-67.04	355.34	6.89	-60.15
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CC4)S3)(C1)OC21CCC1	REAL300018569757	0	49	0.0	-67.04	396.14	10.55	-56.49
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)(C1)OC21CCC1	REAL300018569758	0	50	0.0	-71.83	390.79	9.26	-62.57
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)(C1)OC21CCC1	REAL300018569759	0	46	0.0	-71.49	382.49	8.12	-63.37
CC1=NC=CN1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1	REAL300018569760	0	55	0.0	-78.21	425.50	11.39	-66.82
CC1=C(C)N(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C=C2)C=N1	REAL300018569761	0	55	0.0	-80.00	428.67	11.92	-68.08
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)(C1)OC21CCC1	REAL300018569762	0	56	0.0	-69.22	425.36	12.34	-56.88
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)OC2=CC=C(F)C=C12	REAL300018569764	0	48	0.0	-73.98	385.63	9.53	-64.45
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569765	0	48	0.0	-64.08	385.05	10.44	-53.64
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569766	0	52	0.0	-78.59	411.01	9.43	-69.16
CCCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569767	0	48	0.0	-66.90	376.84	7.65	-59.25
CC(C)N1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569768	0	48	0.0	-66.58	374.01	7.40	-59.18
CC(C)(C)C1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569769	0	53	0.0	-72.82	402.34	8.80	-64.02
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)(C1)OC21CCC1	REAL300018569770	0	45	0.0	-71.18	373.22	7.38	-63.80
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=NC2=C1CCCC2	REAL300018569771	0	52	0.0	-70.98	393.71	9.01	-61.97
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C(F)(F)F)=N1	REAL300018569772	0	45	0.0	-72.79	367.94	7.14	-65.65
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569773	0	44	0.0	-66.99	347.50	7.10	-59.89
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4C=N3)(C1)OC21CCC1	REAL300018569774	0	47	0.0	-67.65	372.09	8.73	-58.92
COC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1C	REAL300018569775	0	48	0.0	-69.74	378.23	5.70	-64.04
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)(C1)OC21CCC1	REAL300018569776	0	45	0.0	-71.54	366.77	9.18	-62.36
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3COCC4)(C1)OC21CCC1	REAL300018569777	0	50	0.0	-69.56	376.07	8.26	-61.30
CCOC1=CC=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569778	0	49	0.0	-65.34	397.66	9.12	-56.22
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)(C1)OC21CCC1	REAL300018569779	0	49	0.0	-71.35	393.57	8.24	-63.11
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(CCCC4)O3)(C1)OC21CCC1	REAL300018569780	0	49	0.0	-68.33	375.22	9.14	-59.19
CCC(C)N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569781	0	51	0.0	-75.01	392.47	8.13	-66.88
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)(C1)OC21CCC1	REAL300018569782	0	55	0.0	-71.09	415.58	9.35	-61.74
O=C([O-])C12CC(C[NH2+]C3CC4CCCCC4C3)(C1)OC21CCC1	REAL300018569783	0	52	0.0	-65.03	374.39	9.50	-55.53
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=CC=C1C(C)(C)C	REAL300018569784	0	58	0.0	-65.79	424.09	10.03	-55.76
CN1C=C(Br)N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569785	0	42	0.0	-74.76	350.71	7.13	-67.63
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569786	0	48	0.0	-73.87	373.23	5.62	-68.25
O=C([O-])C12CC(C[NH2+]CC3=NC4=CC=CC=C4S3)(C1)OC21CCC1	REAL300018569787	0	44	0.0	-69.96	362.60	7.76	-62.20
COC1=CC=CC(C2CC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C2)=C1	REAL300018569788	0	53	0.0	-71.30	404.41	9.42	-61.88
CC1=NOC(C2CC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)C2)=N1	REAL300018569789	0	47	0.0	-76.31	370.32	5.85	-70.46
O=C([O-])C12CC(C[NH2+]C3CC(C4CCOCC4)C3)(C1)OC21CCC1	REAL300018569790	0	53	0.0	-68.37	392.55	8.09	-60.28
CCCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569791	0	48	0.0	-71.50	369.44	9.24	-62.26
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)(C1)OC21CCC1	REAL300018569792	0	49	0.0	-76.87	388.04	8.26	-68.61
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)(C1)OC21CCC1	REAL300018569793	0	55	0.0	-67.94	422.01	11.83	-56.11
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1	REAL300018569794	0	55	0.0	-66.28	411.68	9.38	-56.90
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=NN1CC	REAL300018569795	0	51	0.0	-69.94	390.53	8.27	-61.67
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C(F)(F)F)=CO1	REAL300018569796	0	45	0.0	-68.05	370.51	8.14	-59.91
CC(F)(F)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569797	0	48	0.0	-72.73	384.14	9.83	-62.90
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)(C1)OC21CCC1	REAL300018569798	0	48	0.0	-76.01	394.09	9.13	-66.88
CN1C=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569799	0	49	0.0	-73.02	391.21	6.01	-67.01
COC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C)=C1	REAL300018569800	0	58	0.0	-70.22	432.76	10.19	-60.03
O=C([O-])C12CC(C[NH2+]C3CC4CCCCCC4C3)(C1)OC21CCC1	REAL300018569801	0	55	0.0	-64.43	381.15	9.81	-54.62
CC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)CC2=CC=CC=C21	REAL300018569802	0	55	0.0	-67.03	398.54	10.79	-56.24
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)(C1)OC21CCC1	REAL300018569803	0	49	0.0	-71.27	396.50	10.73	-60.54
CCOC1=CC(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CC=C1O	REAL300018569804	0	59	0.0	-72.81	449.33	8.46	-64.35
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)(C1)OC21CCC1	REAL300018569805	0	48	0.0	-73.71	388.61	10.94	-62.77
COC1=C(C)C(C)=C(OC)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C	REAL300018569806	0	59	0.0	-66.32	443.19	8.95	-57.37
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3OC3CCCCC3)(C1)OC21CCC1	REAL300018569807	0	59	0.0	-63.24	440.49	11.14	-52.10
C=CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569808	0	49	0.0	-67.56	378.01	10.17	-57.39
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)(C1)OC21CCC1	REAL300018569809	0	62	0.0	-70.01	461.12	11.82	-58.19
COCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569810	0	49	0.0	-70.92	377.55	8.21	-62.71
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(SC(F)(F)F)=C3)(C1)OC21CCC1	REAL300018569811	0	46	0.0	-74.55	387.33	9.76	-64.79
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOCC4=C3)(C1)OC21CCC1	REAL300018569812	0	50	0.0	-71.33	384.64	8.39	-62.94
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)SC2=CC(F)=CC=C12	REAL300018569813	0	48	0.0	-72.84	391.71	10.48	-62.36
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)(C1)OC21CCC1	REAL300018569814	0	48	0.0	-81.20	385.55	6.48	-74.72
COC1=CC=C(F)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1OC	REAL300018569815	0	50	0.0	-64.17	395.28	7.59	-56.58
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=NC=C3)(C1)OC21CCC1	REAL300018569816	0	45	0.0	-75.15	356.99	7.85	-67.30
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2CC2)=N1	REAL300018569817	0	52	0.0	-72.51	407.34	9.15	-63.36
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)N=C1	REAL300018569818	0	47	0.0	-66.83	368.83	7.90	-58.93
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1OCCO	REAL300018569819	0	54	0.0	-78.17	422.91	5.34	-72.83
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2=CC=NN2C)=N1	REAL300018569820	0	52	0.0	-74.94	416.46	7.22	-67.72
CC(C)(C)C1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569821	0	50	0.0	-77.15	378.91	8.08	-69.07
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)(C1)OC21CCC1	REAL300018569822	0	47	0.0	-76.99	371.93	8.79	-68.20
CC1=CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=C2O1	REAL300018569823	0	48	0.0	-67.74	380.17	9.46	-58.28
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(F)=C3C(F)(F)F)(C1)OC21CCC1	REAL300018569824	0	45	0.0	-72.68	364.73	9.42	-63.26
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CCC3)(C1)OC21CCC1	REAL300018569825	0	48	0.0	-76.66	375.87	8.43	-68.23
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)(C1)OC21CCC1	REAL300018569826	0	45	0.0	-73.79	375.23	9.34	-64.45
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1F	REAL300018569827	0	52	0.0	-76.78	406.46	9.23	-67.55
CC1=NN(C2CCCC2)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1	REAL300018569828	0	55	0.0	-75.27	419.20	9.35	-65.92
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC(F)F)(C1)OC21CCC1	REAL300018569829	0	45	0.0	-80.04	361.84	7.11	-72.93
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)(C1)OC21CCC1	REAL300018569831	0	49	0.0	-75.80	396.41	9.63	-66.17
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCC4)C=C3)(C1)OC21CCC1	REAL300018569832	0	49	0.0	-66.92	377.05	7.89	-59.03
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)F)C=C3)(C1)OC21CCC1	REAL300018569833	0	45	0.0	-70.36	367.18	7.21	-63.15
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)(C1)OC21CCC1	REAL300018569834	0	46	0.0	-71.72	376.85	7.75	-63.97
CC1=CN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=N1	REAL300018569835	0	45	0.0	-70.98	350.93	7.24	-63.74
O=C([O-])C12CC(C[NH2+]C3CC4CCCC(C4)C3)(C1)OC21CCC1	REAL300018569836	0	52	0.0	-64.90	365.21	9.10	-55.80
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)(C1)OC21CCC1	REAL300018569837	0	52	0.0	-66.38	396.72	8.66	-57.72
O=C([O-])C12CC(C[NH2+]CC3=C4OC=CC4=C(F)C=C3)(C1)OC21CCC1	REAL300018569838	0	45	0.0	-73.59	364.71	8.70	-64.89
O=C([O-])C12CC(C[NH2+]CC3=C4OC=CC4=CC(Cl)=C3)(C1)OC21CCC1	REAL300018569839	0	45	0.0	-69.58	375.00	9.14	-60.44
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=CC=C3)(C1)OC21CCC1	REAL300018569840	0	46	0.0	-69.92	361.29	9.60	-60.32
COC1=CC=C2SC(C[NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)=NC2=C1	REAL300018569841	0	48	0.0	-71.45	391.32	7.05	-64.40
CC1=CC(Br)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569842	0	48	0.0	-71.18	385.39	9.98	-61.20
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1C1=CC=CO1	REAL300018569843	0	49	0.0	-71.11	392.56	7.63	-63.48
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)(C1)OC21CCC1	REAL300018569844	0	45	0.0	-63.49	371.01	7.37	-56.12
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)(C1)OC21CCC1	REAL300018569845	0	58	0.0	-68.10	432.79	12.12	-55.98
CC1=NN(C2CCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569846	0	52	0.0	-72.29	398.99	8.73	-63.56
COC1=CC=CC=C1C=CC[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569847	0	50	0.0	-69.76	390.35	8.96	-60.80
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)(C1)OC21CCC1	REAL300018569848	0	50	0.0	-77.39	400.12	8.65	-68.74
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569849	0	49	0.0	-79.21	393.44	7.57	-71.64
CC(C)(C)N1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C1	REAL300018569850	0	56	0.0	-63.65	394.15	6.81	-56.84
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)(C1)OC21CCC1	REAL300018569851	0	55	0.0	-69.49	433.73	12.77	-56.72
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CC=N3)(C1)OC21CCC1	REAL300018569852	0	51	0.0	-68.44	398.95	9.88	-58.56
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569853	0	63	0.0	-68.62	460.14	10.52	-58.10
CC1=CC=C(C2CCC([NH2+]CC34CC(C(=O)[O-])(C3)C3(CCC3)O4)CC2)C=C1	REAL300018569854	0	58	0.0	-66.07	420.45	12.03	-54.04
COC1=CC(C)=CC(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569855	0	53	0.0	-59.27	407.96	7.67	-51.60
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CF)C=C3)(C1)OC21CCC1	REAL300018569856	0	45	0.0	-71.25	358.92	9.13	-62.12
O=C([O-])C12CC(C[NH2+]CC3=CC=C4SC=CC4=C3)(C1)OC21CCC1	REAL300018569857	0	45	0.0	-73.66	367.86	9.68	-63.98
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)(C1)OC21CCC1	REAL300018569858	0	51	0.0	-74.66	399.66	9.96	-64.70
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569859	0	48	0.0	-67.12	368.36	7.33	-59.79
O=C([O-])C12CC(C[NH2+]C3CC4CC=CCC4C3)(C1)OC21CCC1	REAL300018569860	0	50	0.0	-67.11	366.42	9.44	-57.67
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C(F)(F)F	REAL300018569861	0	48	0.0	-67.60	375.96	9.91	-57.69
C=CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=N1	REAL300018569862	0	46	0.0	-72.86	368.31	7.58	-65.28
O=C([O-])C12CC(C[NH2+]CC3=CC4=NNC=C4C=C3)(C1)OC21CCC1	REAL300018569863	0	45	0.0	-74.53	357.41	7.07	-67.46
CCC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=C1	REAL300018569864	0	54	0.0	-68.05	409.60	10.90	-57.15
O=C([O-])C12CC(C[NH2+]C3CCC4(C3)CCOCC4)(C1)OC21CCC1	REAL300018569865	0	53	0.0	-69.08	381.53	7.62	-61.46
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569866	0	55	0.0	-71.27	428.82	10.80	-60.47
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCCC4)(C1)OC21CCC1	REAL300018569867	0	52	0.0	-67.42	384.72	10.64	-56.78
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569868	0	49	0.0	-74.41	390.80	10.20	-64.21
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)(C1)OC21CCC1	REAL300018569869	0	48	0.0	-83.77	383.30	8.22	-75.55
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C=CC2=CC=CC=C21	REAL300018569870	0	51	0.0	-70.62	388.39	10.99	-59.63
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569871	0	60	0.0	-71.43	456.36	10.00	-61.43
COC1=C2C=CNC2=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569872	0	50	0.0	-67.52	392.84	7.79	-59.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)(C1)OC21CCC1	REAL300018569873	0	55	0.0	-72.07	419.95	5.44	-66.63
CCCN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=C1C	REAL300018569874	0	51	0.0	-71.81	394.07	8.24	-63.57
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)=CN=C1N1C=CC=N1	REAL300018569875	0	51	0.0	-80.02	403.06	9.64	-70.38
O=C([O-])C12CC(C[NH2+]C3CCC3CC3=CC=CC=C3)(C1)OC21CCC1	REAL300018569876	0	52	0.0	-66.63	394.06	11.19	-55.44
CCCN1N=C(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C1(CCC1)O2	REAL300018569877	0	51	0.0	-73.08	391.28	8.17	-64.91
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)C(C2CCC2)=N1	REAL300018569878	0	52	0.0	-73.23	402.36	8.78	-64.45
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C2(CCC2)O3)O1	REAL300018569879	0	50	0.0	-71.17	388.55	5.77	-65.40
CC(C)(C1=CC=C(NC2CC[NH+](CC(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300018569883	0	50	0.0	-46.57	378.48	6.36	-40.21
CC(C)(C1=CC=C(NC2CC[NH+](CCCC(=O)[O-])CC2)C=C1)S(C)(=O)=O	REAL300018569893	0	56	0.0	-69.20	421.43	7.72	-61.48
CC(C)C[C@H](C)[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018569962	0	45	0.0	-61.20	351.50	10.74	-50.46
CC(C)C[C@H](C)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018569963	0	45	0.0	-77.22	355.42	10.28	-66.94
CC(C)C[C@H](C)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018569964	0	45	0.0	-77.22	355.42	10.28	-66.94
CC(C)C[C@H](C)[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018569965	0	38	0.0	-72.89	311.73	8.91	-63.98
CC(C)C[C@H](C)[NH2+]CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12	REAL300018569966	0	41	0.0	-59.99	343.64	9.40	-50.59
CC(C)C[C@H](C)[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018569967	0	38	0.0	-61.85	306.67	8.86	-52.99
CC(C)C[C@H](C)[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018569968	0	41	0.0	-65.79	334.53	9.43	-56.36
CC(C)C[C@H](C)[NH2+]CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12	REAL300018569969	0	41	0.0	-81.73	343.71	9.61	-72.12
CC(C)C[C@H](C)[NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1	REAL300018569970	0	45	0.0	-37.95	349.51	10.65	-27.30
CC(C)C[C@H](C)[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018569971	0	38	0.0	-64.94	316.78	9.03	-55.91
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]C2(C3CCCOC3)CC2)O1	REAL300018569972	0	48	0.0	-60.96	365.88	10.13	-50.83
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3(C4CCCOC4)CC3)O2)C=C1	REAL300018569973	0	48	0.0	-78.43	369.61	9.46	-68.97
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3(C4CCCOC4)CC3)O2)C=C1	REAL300018569974	0	48	0.0	-78.43	369.61	9.46	-68.97
CC1=CC(C[NH2+]C2(C3CCCOC3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018569975	0	51	0.0	-77.76	382.49	9.34	-68.42
O=C([O-])COC1=CC=C(C[NH2+]C2(C3CCCOC3)CC2)C=C1	REAL300018569976	0	45	0.0	-73.75	345.22	8.09	-65.66
O=C([O-])COC1=CC=C(C[NH2+]C2(C3CCCOC3)CC2)C=C1	REAL300018569977	0	45	0.0	-73.75	345.22	8.09	-65.66
CC(OC1=CC=C(C[NH2+]C2(C3CCCOC3)CC2)C=C1)C(=O)[O-]	REAL300018569978	0	48	0.0	-74.08	363.10	8.69	-65.39
O=C([O-])C1=CC=C(C[NH2+]C2(C3CCCOC3)CC2)C=C1Cl	REAL300018569979	0	41	0.0	-74.19	326.61	8.20	-65.99
O=C([O-])C1=CC=C(C[NH2+]C2(C3CCCOC3)CC2)C=C1Br	REAL300018569980	0	41	0.0	-72.84	330.35	8.29	-64.55
O=C([O-])C1=CC2=C(SC(C[NH2+]C3(C4CCCOC4)CC3)=C2)S1	REAL300018569981	0	41	0.0	-76.40	337.92	8.29	-68.11
O=C([O-])C1=C2N=CC(C[NH2+]C3(C4CCCOC4)CC3)=CN2N=C1	REAL300018569982	0	43	0.0	-92.98	332.49	6.56	-86.42
O=C([O-])C1=CN2C(C[NH2+]C3(C4CCCOC4)CC3)=CN=C2C=C1	REAL300018569983	0	44	0.0	-59.52	336.53	8.02	-51.50
O=C([O-])C1=CN2C(C[NH2+]C3(C4CCCOC4)CC3)=CN=C2C(Br)=C1	REAL300018569984	0	44	0.0	-60.59	357.84	8.58	-52.01
O=C([O-])C1=CN=C2C(C[NH2+]C3(C4CCCOC4)CC3)=CC=CN12	REAL300018569985	0	44	0.0	-76.02	335.36	7.32	-68.70
O=C([O-])C1=CC=CC(C[NH2+]C2(C3CCCOC3)CC2)=C1Br	REAL300018569986	0	41	0.0	-61.64	320.94	8.03	-53.61
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]C3(C4CCCOC4)CC3)=N2)C1	REAL300018569987	0	48	0.0	-64.51	356.21	7.20	-57.31
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]C2(C3CCCOC3)CC2)C1	REAL300018569988	0	48	0.0	-75.77	356.81	7.52	-68.25
O=C([O-])C1=CC(C[NH2+]C2(C3CCCOC3)CC2)=CC(C(F)(F)F)=C1	REAL300018569989	0	44	0.0	-66.19	353.15	8.80	-57.39
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]C3(C4CCCOC4)CC3)=CN=C12	REAL300018569990	0	44	0.0	-81.71	357.91	8.79	-72.92
O=C([O-])C1=CC(Br)=CC(C[NH2+]C2(C3CCCOC3)CC2)=C1	REAL300018569991	0	41	0.0	-64.63	335.40	8.41	-56.22
O=C([O-])C1=CC=C(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)C=C1	REAL300018569992	0	46	0.0	-81.71	364.94	11.89	-69.82
CC1=C(C(=O)[O-])C=C(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)O1	REAL300018569993	0	46	0.0	-70.22	366.62	10.91	-59.31
O=C([O-])C1=C(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)C=CO1	REAL300018569994	0	43	0.0	-50.90	344.14	10.23	-40.67
O=C([O-])C1=COC(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)=C1	REAL300018569995	0	43	0.0	-70.69	348.64	10.18	-60.51
O=C([O-])CN1C=C(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)N=N1	REAL300018569996	1	45	0.0	-68.67	362.43	8.86	-59.81
O=C([O-])C1=CC=C(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)O1	REAL300018569997	0	43	0.0	-73.37	348.39	10.43	-62.94
O=C([O-])C1=CC=C(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)O1	REAL300018569998	0	43	0.0	-73.37	348.39	10.43	-62.94
CC(C)(CC[NH+]1CCC(N2N=CC3=CC=CC=C32)CC1)C(=O)[O-]	REAL300018569999	0	48	0.0	-63.49	360.96	10.74	-52.75
O=C([O-])C1=CC=CC(C[NH+]2CCC(N3N=CC4=CC=CC=C43)CC2)=C1	REAL300018570000	0	46	0.0	-71.68	364.66	11.83	-59.85
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1F	REAL300018574248	0	48	0.0	-73.62	383.90	10.71	-62.91
CC1(C)CCCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574249	0	54	0.0	-64.13	386.04	10.43	-53.70
CC(C)=CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574251	0	54	0.0	-64.97	406.35	11.08	-53.89
CC(C)(C)C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574252	0	47	0.0	-64.77	353.03	9.09	-55.68
CC1(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC(C)(C)C1	REAL300018574253	0	60	0.0	-67.40	426.60	11.29	-56.11
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)OC2C1=CC=CC=C1	REAL300018574254	0	48	0.0	-72.54	396.21	11.58	-60.96
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574255	0	55	0.0	-73.62	429.13	10.86	-62.76
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC=C1F	REAL300018574256	0	48	0.0	-75.09	383.81	10.65	-64.44
CC1CCC(C)C([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574257	0	54	0.0	-61.93	386.89	10.86	-51.07
O=C([O-])C12CC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574258	0	49	0.0	-72.41	388.43	9.99	-62.42
O=C([O-])C12CC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)(C1)OC2C1=CC=CC=C1	REAL300018574259	0	44	0.0	-85.56	377.14	9.75	-75.81
CC1CC(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574260	0	54	0.0	-67.25	397.31	10.98	-56.27
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574261	0	57	0.0	-70.64	441.08	12.69	-57.95
CC1=CC(C)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574262	0	51	0.0	-69.09	399.91	11.27	-57.82
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1[N+](=O)[O-]	REAL300018574263	0	51	0.0	-87.83	412.62	10.69	-77.14
O=C([O-])C12CC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574264	0	45	0.0	-75.12	390.56	10.96	-64.16
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574265	0	51	0.0	-69.36	393.05	11.07	-58.29
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574266	0	49	0.0	-74.81	396.35	9.53	-65.28
O=C([O-])C12CC(C[NH2+]CC3=NC=CS3)(C1)OC2C1=CC=CC=C1	REAL300018574267	0	41	0.0	-68.92	341.30	7.12	-61.80
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574268	0	57	0.0	-67.54	414.67	11.10	-56.44
O=C([O-])C12CC(C[NH2+]CC3=CN=CN=C3)(C1)OC2C1=CC=CC=C1	REAL300018574269	0	43	0.0	-79.20	349.52	8.02	-71.18
O=C([O-])C12CC(C[NH2+]CC3=CC=NC4=CC=CC=C34)(C1)OC2C1=CC=CC=C1	REAL300018574270	0	50	0.0	-79.42	395.27	10.30	-69.12
CC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574271	0	48	0.0	-64.62	355.55	9.85	-54.77
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574272	0	58	0.0	-69.93	450.88	11.39	-58.54
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574273	0	52	0.0	-71.83	416.79	12.31	-59.52
O=C([O-])C12CC(C[NH2+]C3CCOCC3)(C1)OC2C1=CC=CC=C1	REAL300018574274	0	46	0.0	-67.27	347.18	6.98	-60.29
CC(C)CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574275	0	56	0.0	-64.22	414.79	11.15	-53.07
CCCCC(CC)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574276	0	53	0.0	-65.86	396.35	10.43	-55.43
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574277	0	48	0.0	-69.29	392.41	10.72	-58.57
O=C([O-])C12CC(C[NH2+]CC3=CCCOC3)(C1)OC2C1=CC=CC=C1	REAL300018574278	0	47	0.0	-71.26	366.87	7.83	-63.43
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574279	0	51	0.0	-75.89	403.76	10.34	-65.55
O=C([O-])C12CC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574280	0	50	0.0	-74.14	392.98	9.79	-64.35
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574281	0	56	0.0	-74.64	431.02	9.86	-64.78
O=C([O-])C12CC(C[NH2+]CC3=CN=CS3)(C1)OC2C1=CC=CC=C1	REAL300018574282	0	41	0.0	-72.06	341.82	7.24	-64.82
O=C([O-])C12CC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574283	0	49	0.0	-68.82	388.24	10.01	-58.81
CN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574284	0	45	0.0	-75.93	360.47	9.17	-66.76
O=C([O-])C12CC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574285	0	49	0.0	-72.47	388.46	9.98	-62.49
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574286	0	48	0.0	-77.71	381.38	8.18	-69.53
CC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574287	0	48	0.0	-63.82	384.98	10.46	-53.36
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574288	0	48	0.0	-75.17	380.05	10.72	-64.45
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574289	0	60	0.0	-65.71	436.26	12.92	-52.79
CN(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574290	0	53	0.0	-65.73	410.99	10.05	-55.68
O=C([O-])C12CC(C[NH2+]CC3=CSC=N3)(C1)OC2C1=CC=CC=C1	REAL300018574291	0	41	0.0	-67.54	341.13	6.98	-60.56
O=C([O-])C12CC(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574292	0	55	0.0	-74.89	419.80	7.82	-67.07
CC1=NNC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574293	0	48	0.0	-74.01	380.23	7.53	-66.48
CC(C)(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574294	0	54	0.0	-73.42	422.66	9.83	-63.59
CN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574295	0	45	0.0	-77.52	359.44	7.60	-69.92
O=C([O-])C12CC(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574296	0	55	0.0	-80.07	428.91	9.89	-70.18
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574297	0	54	0.0	-74.60	424.04	9.67	-64.93
COCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574298	0	56	0.0	-72.05	442.08	9.45	-62.60
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1Cl	REAL300018574299	0	49	0.0	-75.75	402.63	9.80	-65.95
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574300	0	48	0.0	-69.03	382.79	6.76	-62.27
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NC=CC=C34)(C1)OC2C1=CC=CC=C1	REAL300018574301	0	50	0.0	-78.97	394.92	10.27	-68.70
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574302	0	44	0.0	-73.00	365.52	8.00	-65.00
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCO4)(C1)OC2C1=CC=CC=C1	REAL300018574303	0	51	0.0	-70.32	401.72	9.25	-61.07
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)OC2C1=CC=CC=C1	REAL300018574304	0	54	0.0	-71.82	419.74	10.03	-61.79
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574305	0	52	0.0	-74.35	422.79	12.48	-61.87
O=C([O-])C12CC(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)(C1)OC2C1=CC=CC=C1	REAL300018574306	0	52	0.0	-72.70	419.46	12.42	-60.28
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574307	0	55	0.0	-70.63	429.95	10.98	-59.65
CC(CN1C=NC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574308	0	47	0.0	-73.61	373.21	10.13	-63.48
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574309	0	54	0.0	-74.76	438.50	11.56	-63.20
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)C=NC2=NN1	REAL300018574310	0	50	0.0	-85.66	399.58	8.50	-77.16
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574311	0	46	0.0	-77.34	370.94	8.02	-69.32
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574312	0	47	0.0	-72.88	387.00	8.75	-64.13
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)(C1)OC2C1=CC=CC=C1	REAL300018574313	0	51	0.0	-65.37	403.19	13.12	-52.25
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CC=CN34)(C1)OC2C1=CC=CC=C1	REAL300018574314	0	48	0.0	-78.57	386.73	10.45	-68.12
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574315	0	49	0.0	-72.31	402.11	9.02	-63.29
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574316	0	55	0.0	-70.46	426.38	10.80	-59.66
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CS1	REAL300018574317	0	50	0.0	-68.48	406.59	9.07	-59.41
O=C([O-])C12CC(C[NH2+]CC3=CSC(C4CC4)=N3)(C1)OC2C1=CC=CC=C1	REAL300018574318	0	48	0.0	-67.50	392.97	9.20	-58.30
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CS1	REAL300018574319	0	47	0.0	-69.34	387.93	8.48	-60.86
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574320	0	54	0.0	-73.46	423.26	12.18	-61.28
CC1=CC=CC(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574321	0	57	0.0	-69.97	438.25	12.78	-57.19
CC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574322	0	57	0.0	-69.80	438.25	12.78	-57.02
O=C([O-])C12CC(C[NH2+]C3CCC(F)(F)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574323	0	48	0.0	-74.33	369.87	9.51	-64.82
O=C([O-])C12CC(C[NH2+]C3CCN(CC4CC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574324	1	57	0.0	-68.10	424.41	9.02	-59.08
CC(C)(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CS1	REAL300018574325	0	53	0.0	-68.17	425.53	9.58	-58.59
O=C([O-])C12CC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574326	0	49	0.0	-78.96	393.14	8.37	-70.59
O=C([O-])C12CC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)OC2C1=CC=CC=C1	REAL300018574327	0	48	0.0	-72.36	402.52	11.05	-61.31
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574328	0	53	0.0	-72.32	425.66	9.82	-62.50
CC(C)CN1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574329	1	59	0.0	-65.42	431.56	9.37	-56.05
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C(C)S1	REAL300018574330	0	48	0.0	-70.35	388.97	10.53	-59.82
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCCC1	REAL300018574331	0	51	0.0	-64.13	370.30	9.95	-54.18
C#CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574332	0	51	0.0	-76.34	417.00	10.79	-65.55
CC(C)(C)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574333	1	59	0.0	-67.44	423.00	8.50	-58.94
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC=C1SC	REAL300018574334	0	53	0.0	-76.17	426.01	10.30	-65.87
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)(C1)OC2C1=CC=CC=C1	REAL300018574335	0	52	0.0	-80.50	418.22	9.96	-70.54
C=CCCC(CC)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574336	0	51	0.0	-66.79	387.66	10.22	-56.57
CCN1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574337	0	48	0.0	-73.07	381.62	9.26	-63.81
CCOCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574338	0	48	0.0	-63.93	367.99	7.70	-56.23
CCCC(CC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574339	0	57	0.0	-63.56	424.96	12.53	-51.03
O=C([O-])C12CC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)(C1)OC2C1=CC=CC=C1	REAL300018574340	0	51	0.0	-78.30	412.79	9.84	-68.46
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1C	REAL300018574341	0	54	0.0	-72.75	420.21	9.62	-63.13
C=CCC(C)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574342	0	51	0.0	-66.89	382.36	9.96	-56.93
CC(C)CCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574343	0	60	0.0	-66.23	441.35	12.24	-53.99
CCCCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574344	0	57	0.0	-65.67	418.57	12.10	-53.57
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C2=CC=CC=C21	REAL300018574345	0	51	0.0	-73.35	409.83	9.93	-63.42
CN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574346	0	45	0.0	-70.32	362.76	7.72	-62.60
O=C([O-])C12CC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)OC2C1=CC=CC=C1	REAL300018574347	0	48	0.0	-83.12	386.77	8.63	-74.49
O=C([O-])C12CC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)OC2C1=CC=CC=C1	REAL300018574347	1	48	0.0	-73.02	385.91	8.66	-64.36
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1F	REAL300018574348	0	53	0.0	-76.12	418.00	9.50	-66.62
O=C([O-])C12CC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)OC2C1=CC=CC=C1	REAL300018574349	0	48	0.0	-75.48	397.09	9.50	-65.98
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=CC=C2O1	REAL300018574350	0	56	0.0	-73.92	434.51	11.20	-62.72
CC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574351	0	44	0.0	-76.11	365.37	8.45	-67.66
O=C([O-])C12CC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)OC2C1=CC=CC=C1	REAL300018574352	0	51	0.0	-72.21	413.17	8.41	-63.80
CC(CC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574353	0	48	0.0	-64.99	382.18	10.28	-54.71
O=C([O-])C12CC(C[NH2+]CC3CCCCCCC3)(C1)OC2C1=CC=CC=C1	REAL300018574354	0	57	0.0	-69.78	401.94	11.13	-58.65
CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574355	0	44	0.0	-70.19	366.47	7.74	-62.45
CC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574356	0	47	0.0	-74.33	369.82	8.80	-65.53
CC(CSC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574357	0	54	0.0	-62.59	413.04	10.76	-51.83
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N1C	REAL300018574358	0	53	0.0	-76.55	412.33	9.40	-67.15
O=C([O-])C12CC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)(C1)OC2C1=CC=CC=C1	REAL300018574359	0	52	0.0	-77.67	418.81	10.32	-67.35
CC(C)OCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574360	0	51	0.0	-63.79	388.26	8.45	-55.34
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574361	0	58	0.0	-73.40	452.82	11.73	-61.67
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574362	0	56	0.0	-75.87	444.84	9.51	-66.36
COCC(CC(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574363	0	54	0.0	-63.65	403.43	8.61	-55.04
O=C([O-])C12CC(C[NH2+]C3CCCOC3)(C1)OC2C1=CC=CC=C1	REAL300018574364	0	46	0.0	-66.13	347.19	7.01	-59.12
CC1(C)CCCC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574365	0	57	0.0	-67.98	411.28	11.22	-56.76
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574366	0	56	0.0	-69.34	426.20	11.01	-58.33
CC1(C)CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574367	0	51	0.0	-64.68	376.64	10.32	-54.36
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574368	0	52	0.0	-69.57	402.63	11.86	-57.71
CC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574369	0	54	0.0	-66.64	410.71	11.78	-54.86
CC1=CC=CC(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574370	0	54	0.0	-66.82	416.09	11.99	-54.83
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O3)OCO2	REAL300018574371	0	52	0.0	-72.72	412.93	8.04	-64.68
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)SC=C1	REAL300018574372	0	46	0.0	-64.85	380.01	8.43	-56.42
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574373	0	58	0.0	-70.40	450.05	11.67	-58.73
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)OC2C1=CC=CC=C1	REAL300018574374	0	51	0.0	-78.42	405.35	12.20	-66.22
O=C([O-])C12CC(C[NH2+]CCC3CCOCC3)(C1)OC2C1=CC=CC=C1	REAL300018574375	0	52	0.0	-70.54	392.90	8.59	-61.95
O=C([O-])C12CC(C[NH2+]CC3CCSCC3)(C1)OC2C1=CC=CC=C1	REAL300018574376	0	49	0.0	-74.84	377.18	10.04	-64.80
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574377	0	58	0.0	-65.82	451.49	11.78	-54.04
O=C([O-])C12CC(C[NH2+]CC3CCCCCC3)(C1)OC2C1=CC=CC=C1	REAL300018574378	0	54	0.0	-69.90	391.01	10.81	-59.09
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=C2O1	REAL300018574379	0	56	0.0	-65.36	434.27	11.21	-54.15
O=C([O-])C12CC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)(C1)OC2C1=CC=CC=C1	REAL300018574380	0	44	0.0	-66.80	383.35	9.05	-57.75
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)OC2C1=CC=CC=C1	REAL300018574381	0	51	0.0	-69.53	408.40	9.76	-59.77
O=C([O-])C12CC(C[NH2+]CC3=CC=NC=C3Cl)(C1)OC2C1=CC=CC=C1	REAL300018574382	0	44	0.0	-71.69	366.07	8.74	-62.95
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)N1CCOCC1	REAL300018574383	0	57	0.0	-69.44	413.45	6.86	-62.58
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCCC1	REAL300018574384	0	54	0.0	-64.83	392.20	10.57	-54.26
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=NN1C	REAL300018574385	0	48	0.0	-69.91	382.25	8.18	-61.73
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574386	0	49	0.0	-79.07	392.84	8.59	-70.48
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574387	0	52	0.0	-74.08	415.59	11.20	-62.88
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=NO1	REAL300018574388	0	44	0.0	-69.68	353.44	8.12	-61.56
CCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574389	0	48	0.0	-73.50	375.60	10.17	-63.33
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N1C	REAL300018574390	0	48	0.0	-76.33	379.36	8.99	-67.34
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574391	0	50	0.0	-77.45	398.10	10.43	-67.02
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)OC2C1=CC=CC=C1	REAL300018574392	0	48	0.0	-81.49	384.94	8.73	-72.76
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=CNN=C43)(C1)OC2C1=CC=CC=C1	REAL300018574393	0	48	0.0	-67.58	386.16	8.70	-58.88
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCN34)(C1)OC2C1=CC=CC=C1	REAL300018574394	0	49	0.0	-75.37	385.89	9.59	-65.78
CS(=O)(=O)N1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574395	0	53	0.0	-76.94	410.36	5.77	-71.17
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C=N3)(C1)OC2C1=CC=CC=C1	REAL300018574396	0	44	0.0	-74.67	361.27	8.26	-66.41
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)SC=N1	REAL300018574397	0	44	0.0	-73.02	362.73	7.78	-65.24
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574398	0	49	0.0	-76.20	395.80	9.38	-66.82
CC(CC1=CN=CC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574399	0	49	0.0	-64.64	382.40	8.36	-56.28
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574400	0	55	0.0	-76.81	431.09	10.00	-66.81
CC1=NOC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574401	0	44	0.0	-76.61	353.44	8.15	-68.46
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=CO1	REAL300018574402	0	45	0.0	-70.49	358.68	8.82	-61.67
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(Cl)=C1	REAL300018574403	0	48	0.0	-66.93	394.00	11.12	-55.81
O=C([O-])C12CC(C[NH2+]CCC3=CC=CC(Cl)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574404	0	48	0.0	-75.45	398.13	11.28	-64.17
O=C([O-])C12CC(C[NH2+]CC3=NOC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574405	0	41	0.0	-69.97	331.50	7.29	-62.68
O=C([O-])C12CC(C[NH2+]C3CCCC3C3=CC=CC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574406	0	55	0.0	-62.61	411.00	12.68	-49.93
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(C1)OC2C1=CC=CC=C1	REAL300018574407	0	50	0.0	-71.11	404.25	10.59	-60.52
O=C([O-])C12CC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(C1)OC2C1=CC=CC=C1	REAL300018574408	0	50	0.0	-68.94	404.99	10.63	-58.31
CS(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574409	0	50	0.0	-83.97	412.07	8.61	-75.36
CC(C)CCN1C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574410	0	58	0.0	-70.56	446.80	12.38	-58.18
CCC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CCO1	REAL300018574411	0	52	0.0	-69.80	391.86	8.58	-61.22
CC(C)C1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CCO1	REAL300018574412	0	55	0.0	-70.25	407.61	9.17	-61.08
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCCCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574413	0	55	0.0	-69.01	419.79	12.44	-56.57
O=C([O-])C12CC(C[NH2+]C3CCC(C4CCCCC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574414	0	64	0.0	-67.55	456.31	12.97	-54.58
CC(C)CC(C)CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574415	0	59	0.0	-66.15	431.03	11.53	-54.62
CCC1CCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574416	0	48	0.0	-63.96	365.47	9.64	-54.32
CC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574417	0	54	0.0	-71.57	417.30	11.97	-59.60
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300018574418	0	49	0.0	-73.71	396.21	8.03	-65.68
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574419	0	58	0.0	-69.92	438.19	11.08	-58.84
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCCCC1	REAL300018574420	0	57	0.0	-66.92	412.84	11.40	-55.52
CCC(CC)(CC)C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574421	0	56	0.0	-66.44	395.12	10.47	-55.97
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300018574422	1	44	0.0	-72.41	356.23	5.59	-66.82
O=C([O-])C12CC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)(C1)OC2C1=CC=CC=C1	REAL300018574423	0	52	0.0	-67.58	410.87	12.01	-55.57
CC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574424	0	45	0.0	-74.46	361.23	7.34	-67.12
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C)=C1	REAL300018574425	0	55	0.0	-72.67	426.06	10.85	-61.82
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574426	0	52	0.0	-66.19	409.43	10.03	-56.16
O=C([O-])C12CC(C[NH2+]CC3CCC4=CC=CC=C4C3)(C1)OC2C1=CC=CC=C1	REAL300018574427	0	55	0.0	-72.48	415.82	12.44	-60.04
O=C([O-])C12CC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574428	0	55	0.0	-74.59	426.26	12.40	-62.19
CC1=NC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300018574429	0	47	0.0	-73.47	374.55	6.12	-67.35
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574430	0	49	0.0	-71.31	404.34	8.86	-62.45
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574431	0	51	0.0	-69.67	414.98	11.47	-58.20
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N=C1	REAL300018574432	0	47	0.0	-69.88	376.30	8.83	-61.05
O=C([O-])C12CC(C[NH2+]CC3=CC=NS3)(C1)OC2C1=CC=CC=C1	REAL300018574433	0	41	0.0	-76.00	343.62	7.86	-68.14
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574434	0	51	0.0	-72.53	400.74	9.82	-62.71
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=CC=C1[N+](=O)[O-]	REAL300018574435	0	50	0.0	-84.86	396.44	11.15	-73.71
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC=C1Cl	REAL300018574436	0	49	0.0	-77.16	402.63	9.80	-67.36
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CS1	REAL300018574437	0	45	0.0	-69.26	368.96	9.70	-59.56
COC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574438	0	52	0.0	-65.54	405.06	9.89	-55.65
O=C([O-])C12CC(C[NH2+]CC3=C4OC=CC4=CC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574439	0	48	0.0	-70.21	387.23	10.33	-59.88
O=C([O-])C12CC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574440	0	52	0.0	-72.82	418.78	11.13	-61.69
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)OC2C1=CC=CC=C1	REAL300018574441	0	44	0.0	-81.09	384.89	8.45	-72.64
CC1CSCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574442	0	46	0.0	-71.78	360.32	9.24	-62.54
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574443	0	51	0.0	-74.86	402.77	9.16	-65.70
O=C([O-])C12CC(C[NH2+]CC3=NN4CCCCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574444	0	52	0.0	-69.53	404.48	9.34	-60.19
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574445	0	51	0.0	-69.09	399.98	11.38	-57.71
COC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574446	0	45	0.0	-75.21	376.33	5.64	-69.57
O=C([O-])C12CC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)(C1)OC2C1=CC=CC=C1	REAL300018574447	0	49	0.0	-73.29	395.45	11.57	-61.72
CC1=NC=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574448	0	46	0.0	-73.19	366.86	6.81	-66.38
O=C([O-])C12CC(C[NH2+]C3CCC4(CC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574449	0	52	0.0	-68.20	389.12	10.71	-57.49
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)(C1)OC2C1=CC=CC=C1	REAL300018574450	0	50	0.0	-73.19	399.32	7.37	-65.82
O=C([O-])C12CC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)(C1)OC2C1=CC=CC=C1	REAL300018574451	0	48	0.0	-77.66	402.38	10.98	-66.68
O=C([O-])C12CC(C[NH2+]C3C[C@@H]4CC[C@@H](C4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574452	0	52	0.0	-61.37	363.95	11.00	-50.37
CC1=CC=CN2C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=CN=C12	REAL300018574453	0	51	0.0	-78.27	408.17	11.05	-67.22
CCN1N=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574454	0	47	0.0	-77.79	373.32	9.17	-68.62
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CN=C1Cl	REAL300018574455	0	45	0.0	-79.79	376.22	8.87	-70.92
O=C([O-])C12CC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(C1)OC2C1=CC=CC=C1	REAL300018574456	0	45	0.0	-83.99	379.88	7.37	-76.62
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N1C	REAL300018574457	0	48	0.0	-73.74	380.18	8.86	-64.88
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(C1)OC2C1=CC=CC=C1	REAL300018574458	0	49	0.0	-78.72	397.21	10.05	-68.67
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(C1)OC2C1=CC=CC=C1	REAL300018574459	0	49	0.0	-79.80	398.18	10.02	-69.78
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574460	0	51	0.0	-72.92	408.91	7.61	-65.31
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574461	0	48	0.0	-73.79	389.34	11.00	-62.79
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=NC=C4S3)(C1)OC2C1=CC=CC=C1	REAL300018574462	0	47	0.0	-77.51	390.94	9.79	-67.72
CC1=CC=CC2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)N21	REAL300018574463	0	51	0.0	-76.30	396.16	10.85	-65.45
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CC1(C)C	REAL300018574464	0	54	0.0	-65.16	390.22	10.43	-54.73
C=CCCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574465	0	57	0.0	-64.46	431.53	11.99	-52.47
C=CCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574466	0	54	0.0	-66.87	412.75	11.20	-55.67
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574467	0	48	0.0	-72.54	394.65	11.14	-61.40
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574468	0	52	0.0	-73.63	414.95	9.74	-63.89
COCC(CC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574469	0	57	0.0	-60.37	416.43	9.52	-50.85
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574470	0	50	0.0	-84.69	407.30	10.45	-74.24
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC2=CC=CN=C12	REAL300018574471	0	53	0.0	-77.62	418.33	11.15	-66.47
CC(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574472	0	57	0.0	-64.29	405.57	11.33	-52.96
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)SN=N1	REAL300018574473	0	43	0.0	-81.33	359.03	7.17	-74.16
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1C	REAL300018574474	0	58	0.0	-71.94	450.02	11.72	-60.22
COC1=C(C)C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1C	REAL300018574475	0	54	0.0	-69.92	422.35	8.81	-61.11
O=C([O-])C12CC(C[NH2+]C3CCCCC34CCCC4)(C1)OC2C1=CC=CC=C1	REAL300018574476	0	58	0.0	-62.05	406.60	11.68	-50.37
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574477	0	54	0.0	-67.14	397.84	10.62	-56.52
NC1=C(F)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574478	0	47	0.0	-74.13	374.84	8.14	-65.99
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574479	0	48	0.0	-76.86	394.02	10.94	-65.92
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)OC2C1=CC=CC=C1	REAL300018574480	0	47	0.0	-80.56	399.30	7.98	-72.58
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCC4)(C1)OC2C1=CC=CC=C1	REAL300018574481	0	52	0.0	-70.72	404.19	11.84	-58.88
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C([N+](=O)[O-])=N1	REAL300018574482	0	47	0.0	-81.90	388.07	9.38	-72.52
O=C([O-])C12CC(C[NH2+]CC3=NC(Cl)=CS3)(C1)OC2C1=CC=CC=C1	REAL300018574483	0	41	0.0	-73.99	361.65	7.57	-66.42
COC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574484	0	45	0.0	-78.13	377.20	5.93	-72.20
O=C([O-])C12CC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(C1)OC2C1=CC=CC=C1	REAL300018574485	0	50	0.0	-71.73	397.62	10.30	-61.43
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574486	0	49	0.0	-62.67	402.10	9.78	-52.89
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=NN1C	REAL300018574487	0	48	0.0	-72.73	376.66	8.25	-64.48
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1C	REAL300018574488	0	57	0.0	-72.62	441.71	10.37	-62.25
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C12CCCC2	REAL300018574489	0	59	0.0	-63.32	437.07	11.05	-52.27
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCC1	REAL300018574490	0	51	0.0	-64.90	375.23	10.08	-54.82
O=C([O-])C12CC(C[NH2+]C3CC4CCC(C4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574491	0	52	0.0	-59.56	360.42	10.92	-48.64
O=C([O-])C12CC(C[NH2+]C3CCCC34CCCC4)(C1)OC2C1=CC=CC=C1	REAL300018574492	0	55	0.0	-64.16	396.69	11.52	-52.64
CCCC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1=CC=CC=C1	REAL300018574493	0	57	0.0	-69.98	436.91	12.62	-57.36
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CC4)O3)(C1)OC2C1=CC=CC=C1	REAL300018574494	0	48	0.0	-75.17	388.60	7.31	-67.86
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574495	0	55	0.0	-68.89	433.13	11.00	-57.89
CC(C)(C)C1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574496	0	54	0.0	-65.31	396.91	10.53	-54.78
O=C([O-])C12CC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)(C1)OC2C1=CC=CC=C1	REAL300018574497	0	47	0.0	-73.07	394.59	9.50	-63.57
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574498	0	51	0.0	-76.33	406.17	8.41	-67.92
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574499	0	52	0.0	-75.99	417.66	10.30	-65.69
COC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574500	0	55	0.0	-74.55	425.37	10.57	-63.98
CN1N=C(C2CC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574501	0	52	0.0	-78.33	411.15	9.69	-68.64
O=C([O-])C12CC(C[NH2+]C3CCC4(CCCCC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574503	0	61	0.0	-65.72	424.56	11.80	-53.92
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C(C)C1=CC=CC=C1	REAL300018574504	0	54	0.0	-63.90	407.61	11.52	-52.38
O=C([O-])C12CC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)(C1)OC2C1=CC=CC=C1	REAL300018574505	0	53	0.0	-74.77	410.42	11.09	-63.68
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC3CC3)(C1)OC2C1=CC=CC=C1	REAL300018574506	0	52	0.0	-73.73	407.25	10.04	-63.69
CC(CCC1=CC=CN=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574507	0	53	0.0	-73.88	411.68	10.32	-63.56
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574508	0	54	0.0	-69.02	417.31	11.87	-57.15
CN1N=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574509	0	44	0.0	-78.86	355.16	8.25	-70.61
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300018574510	0	47	0.0	-84.76	397.25	3.15	-81.61
O=C([O-])C12CC(C[NH2+]C3CCC4(CCOCC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574511	0	59	0.0	-68.90	416.07	9.44	-59.46
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1C	REAL300018574512	0	51	0.0	-75.36	398.43	8.17	-67.19
NC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574513	0	47	0.0	-72.99	383.76	8.62	-64.37
CCC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574514	0	48	0.0	-74.25	382.66	8.07	-66.18
O=C([O-])C12CC(C[NH2+]CCC3=CC=C(F)C=C3Cl)(C1)OC2C1=CC=CC=C1	REAL300018574515	0	48	0.0	-74.54	400.42	11.20	-63.34
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4O3)(C1)OC2C1=CC=CC=C1	REAL300018574516	0	47	0.0	-78.92	382.49	8.80	-70.12
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)OC2C1=CC=CC=C1	REAL300018574517	0	45	0.0	-77.09	389.68	10.34	-66.75
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)NC2=CC=C1	REAL300018574518	0	52	0.0	-76.52	411.66	10.62	-65.90
CCOC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574519	0	55	0.0	-67.23	411.00	9.49	-57.74
O=C([O-])C12CC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574520	0	45	0.0	-76.29	387.71	10.09	-66.20
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C)=C1	REAL300018574521	0	58	0.0	-72.41	446.48	11.68	-60.73
CC1=C(C)NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574522	0	48	0.0	-72.02	377.61	7.83	-64.19
CC1=CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574523	0	49	0.0	-68.20	371.67	9.93	-58.27
O=C([O-])C12CC(C[NH2+]C3CCC4(CCCC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574524	0	58	0.0	-65.46	413.33	11.51	-53.95
O=C([O-])C12CC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574525	0	47	0.0	-79.25	385.11	9.07	-70.18
O=C([O-])C12CC(C[NH2+]C3CCC4=CC=CC=C4CC3)(C1)OC2C1=CC=CC=C1	REAL300018574526	0	55	0.0	-71.76	411.07	11.94	-59.82
CCC1(C)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574527	0	57	0.0	-67.68	403.69	10.70	-56.98
O=C([O-])C12CC(C[NH2+]C3CCCC4=CC=CC=C4C3)(C1)OC2C1=CC=CC=C1	REAL300018574528	0	55	0.0	-67.26	408.57	11.98	-55.28
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C(F)F)=N1	REAL300018574529	0	48	0.0	-74.12	389.04	8.69	-65.43
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCCCCC1	REAL300018574530	0	57	0.0	-66.54	404.40	11.21	-55.33
CCC1(CC)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574531	0	60	0.0	-68.12	421.45	11.24	-56.88
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCOC4)(C1)OC2C1=CC=CC=C1	REAL300018574532	0	53	0.0	-73.12	406.71	9.97	-63.15
O=C([O-])C12CC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574533	0	52	0.0	-73.44	410.11	11.93	-61.51
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574534	0	54	0.0	-68.89	418.87	11.57	-57.32
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574535	0	45	0.0	-68.04	350.93	9.11	-58.93
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574536	0	51	0.0	-75.63	399.09	9.29	-66.34
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)NC2=C1	REAL300018574537	0	52	0.0	-76.09	412.08	10.63	-65.46
O=C([O-])C12CC(C[NH2+]CC3=C4CCCN4N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574538	0	49	0.0	-74.80	386.36	8.61	-66.19
O=C([O-])C12CC(C[NH2+]CC3=NN4CCCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574539	0	49	0.0	-70.73	386.42	8.52	-62.21
O=C([O-])C12CC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)OC2C1=CC=CC=C1	REAL300018574540	0	44	0.0	-75.84	385.24	8.32	-67.52
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574541	0	53	0.0	-83.38	419.13	11.66	-71.72
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574542	0	54	0.0	-67.54	400.28	10.66	-56.88
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CN=C4O3)(C1)OC2C1=CC=CC=C1	REAL300018574543	0	47	0.0	-79.76	382.54	7.49	-72.27
CC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574544	0	54	0.0	-64.59	388.02	10.39	-54.20
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574545	0	57	0.0	-64.22	405.67	10.95	-53.27
CC1(C)CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574546	0	57	0.0	-65.10	404.34	10.79	-54.31
CC(C)(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574547	0	63	0.0	-64.85	437.52	11.87	-52.98
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CCN1C	REAL300018574548	1	53	0.0	-68.12	391.90	7.42	-60.70
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(C1)OC2C1=CC=CC=C1	REAL300018574549	0	48	0.0	-77.91	394.18	10.60	-67.31
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C1CCCO1	REAL300018574550	0	49	0.0	-66.61	371.57	8.29	-58.32
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574551	0	52	0.0	-71.00	412.15	9.67	-61.33
CN(C)CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CS1	REAL300018574552	0	52	0.0	-69.83	422.44	6.69	-63.14
CC1(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC1	REAL300018574553	0	45	0.0	-66.44	347.96	9.44	-57.00
CC1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574554	0	51	0.0	-72.61	402.80	11.44	-61.17
CCCCC(C)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574555	0	56	0.0	-65.45	413.31	11.01	-54.44
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1OC	REAL300018574556	0	56	0.0	-76.74	433.97	9.75	-66.99
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C3CC3)(C1)OC2C1=CC=CC=C1	REAL300018574557	0	52	0.0	-69.58	402.94	12.00	-57.58
O=C([O-])C12CC(C[NH2+]CCC3=CC=C(F)C=C3F)(C1)OC2C1=CC=CC=C1	REAL300018574558	0	48	0.0	-75.38	393.38	10.88	-64.50
CC1=CC(C)=CC(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574559	0	54	0.0	-69.24	423.79	12.14	-57.10
CC(CCC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574560	0	51	0.0	-70.09	406.83	11.04	-59.05
O=C([O-])C12CC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574561	0	49	0.0	-74.75	405.74	8.89	-65.86
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(C1)OC2C1=CC=CC=C1	REAL300018574562	0	51	0.0	-79.66	415.01	8.28	-71.38
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574563	0	51	0.0	-69.36	397.99	9.05	-60.31
CN1N=CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=CN=C21	REAL300018574564	0	50	0.0	-82.40	401.40	9.08	-73.32
COCC(CC1CCOCC1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574565	0	59	0.0	-68.36	438.33	8.34	-60.02
CN1C=C(CCC[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574566	0	51	0.0	-74.29	402.92	9.28	-65.01
CC1CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O3)=N2	REAL300018574567	0	54	0.0	-69.42	429.20	10.36	-59.06
CCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)S1	REAL300018574568	0	47	0.0	-69.54	388.07	8.73	-60.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C(F)N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574569	0	44	0.0	-80.43	358.36	8.11	-72.32
O=C([O-])C12CC(C[NH2+]C3CCC4COCCC4C3)(C1)OC2C1=CC=CC=C1	REAL300018574570	0	56	0.0	-70.57	405.08	9.52	-61.05
CC1(C)CC2(CC([NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)C2)CO1	REAL300018574571	0	56	0.0	-69.01	421.30	9.54	-59.47
CC1CC2(CC([NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)C2)CO1	REAL300018574572	0	53	0.0	-70.02	402.84	8.97	-61.05
O=C([O-])C12CC(C[NH2+]C3CCOC4=CC=CC=C4C3)(C1)OC2C1=CC=CC=C1	REAL300018574573	0	53	0.0	-68.96	401.73	10.19	-58.77
O=C([O-])C12CC(C[NH2+]C3CCCC4=C(C=CS4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574574	0	52	0.0	-68.02	401.41	11.17	-56.85
CN1C=NC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=C21	REAL300018574575	0	51	0.0	-78.06	397.22	11.28	-66.78
COC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574576	0	52	0.0	-71.17	404.16	9.92	-61.25
O=C([O-])C12CC(C[NH2+]CC3=NOC(C4CCC4)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574577	0	51	0.0	-69.78	401.66	10.22	-59.56
CC1(C2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=NO2)CC1	REAL300018574578	0	51	0.0	-72.07	407.47	10.16	-61.91
CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574579	0	51	0.0	-69.21	393.33	11.28	-57.93
CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574580	0	48	0.0	-73.76	384.33	10.71	-63.05
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C)=C1C	REAL300018574581	0	54	0.0	-69.33	409.40	11.73	-57.60
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574582	0	57	0.0	-64.20	413.16	12.36	-51.84
O=C([O-])C12CC(C[NH2+]CC3=CN=C4CCCCCN34)(C1)OC2C1=CC=CC=C1	REAL300018574583	0	55	0.0	-75.88	414.83	10.42	-65.46
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CC3)(C1)OC2C1=CC=CC=C1	REAL300018574584	0	48	0.0	-77.18	384.58	9.58	-67.60
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)(C1)OC2C1=CC=CC=C1	REAL300018574585	0	51	0.0	-80.01	411.48	11.13	-68.88
CCN1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=CC=C21	REAL300018574586	0	57	0.0	-71.29	436.40	10.57	-60.72
CC1(C)CC2(CO1)CCC([NH2+]CC13CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O3)CC2	REAL300018574587	0	62	0.0	-72.88	443.53	10.30	-62.58
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC=C1C1CC1	REAL300018574588	0	55	0.0	-69.49	423.52	12.58	-56.91
CCOC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC=N1	REAL300018574589	0	51	0.0	-76.16	406.12	7.64	-68.52
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1C1CC1	REAL300018574590	0	55	0.0	-69.41	423.53	12.58	-56.83
CC(C)CC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574591	0	57	0.0	-65.28	414.18	11.80	-53.48
O=C([O-])C12CC(C[NH2+]C3CC(C4CCC4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574592	0	52	0.0	-69.26	397.25	11.11	-58.15
O=C([O-])C12CC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)(C1)OC2C1=CC=CC=C1	REAL300018574593	0	55	0.0	-75.28	428.79	6.43	-68.85
O=C([O-])C12CC(C[NH2+]CC3=NOC(C4CC4)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574594	0	48	0.0	-72.16	388.46	9.74	-62.42
CC1OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)C=C2C1C	REAL300018574595	0	56	0.0	-73.99	430.48	11.06	-62.93
CC(C)C1=CC=C(O)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574596	0	55	0.0	-71.15	427.77	9.31	-61.84
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)NN=C1C(F)(F)F	REAL300018574597	0	48	0.0	-83.27	396.53	7.98	-75.29
O=C([O-])C12CC(C[NH2+]C3CCC4(CCC4)CC3)(C1)OC2C1=CC=CC=C1	REAL300018574598	0	55	0.0	-68.14	402.61	11.00	-57.14
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1O	REAL300018574599	0	49	0.0	-72.11	388.27	7.90	-64.21
O=C([O-])C12CC(C[NH2+]CC3=NC(C4CC4)=CS3)(C1)OC2C1=CC=CC=C1	REAL300018574600	0	48	0.0	-70.49	395.52	9.22	-61.27
O=C([O-])C12CC(C[NH2+]CC3=CN(CC4CC4)N=N3)(C1)OC2C1=CC=CC=C1	REAL300018574601	0	51	0.0	-74.98	406.05	8.87	-66.11
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574602	0	50	0.0	-72.58	393.03	9.84	-62.74
O=C([O-])C12CC(C[NH2+]CC3=NC4=C(CCCC4)N3)(C1)OC2C1=CC=CC=C1	REAL300018574603	0	52	0.0	-73.89	402.84	9.08	-64.81
O=C([O-])C12CC(C[NH2+]CC3=CC=C4COCCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574604	0	53	0.0	-72.02	410.81	10.04	-61.98
CC1=CC=CC(F)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574605	0	48	0.0	-67.60	382.20	10.54	-57.06
O=C([O-])C12CC(C[NH2+]CC3=CC=CC=C3C3CCC3)(C1)OC2C1=CC=CC=C1	REAL300018574606	0	55	0.0	-68.57	416.44	12.45	-56.12
CSC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574607	0	49	0.0	-70.91	397.31	10.97	-59.94
CC(C)(C)N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574608	0	54	0.0	-72.57	405.92	9.65	-62.92
O=C([O-])C12CC(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)(C1)OC2C1=CC=CC=C1	REAL300018574609	0	52	0.0	-75.20	413.92	12.04	-63.16
CC1(C)C2CC([NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)CC21	REAL300018574610	0	52	0.0	-69.95	390.82	10.77	-59.18
CC(C)C1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N(C)N=C1	REAL300018574611	0	54	0.0	-76.89	420.98	9.52	-67.37
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2)C(C)CC1=CC=CC=C1	REAL300018574612	0	60	0.0	-65.74	442.45	13.09	-52.65
CCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574613	0	48	0.0	-69.92	384.29	8.59	-61.33
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CC4)S3)(C1)OC2C1=CC=CC=C1	REAL300018574614	0	52	0.0	-69.47	424.02	12.28	-57.19
O=C([O-])C12CC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574615	0	53	0.0	-74.88	420.43	10.98	-63.90
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)OC2=CC=C(F)C=C12	REAL300018574617	0	51	0.0	-76.90	414.58	11.23	-65.67
CCCN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574618	0	51	0.0	-69.81	405.79	9.35	-60.46
CC(C)N1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574619	0	51	0.0	-69.42	402.97	9.10	-60.32
CC(C)(C)C1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574620	0	56	0.0	-75.20	431.29	10.50	-64.70
CCC(CC)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574621	0	53	0.0	-64.95	384.22	9.93	-55.02
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574622	0	48	0.0	-74.50	402.17	9.08	-65.42
CN1C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=NC2=C1CCCC2	REAL300018574623	0	55	0.0	-71.80	420.10	10.66	-61.14
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C(F)(F)F)=N1	REAL300018574624	0	48	0.0	-75.29	395.60	8.80	-66.49
CC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574625	0	47	0.0	-70.05	376.45	8.80	-61.25
O=C([O-])C12CC(C[NH2+]CC3=CC4=CC=CC=C4C=N3)(C1)OC2C1=CC=CC=C1	REAL300018574626	0	50	0.0	-70.47	401.04	10.43	-60.04
COC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=CC=C1C	REAL300018574627	0	51	0.0	-72.74	407.18	7.40	-65.34
O=C([O-])C12CC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)(C1)OC2C1=CC=CC=C1	REAL300018574628	0	48	0.0	-74.04	394.66	10.90	-63.14
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3COCC4)(C1)OC2C1=CC=CC=C1	REAL300018574629	0	53	0.0	-73.00	406.67	9.99	-63.01
O=C([O-])C12CC(C[NH2+]CC3=CC4=C(CCCC4)O3)(C1)OC2C1=CC=CC=C1	REAL300018574630	0	52	0.0	-71.16	404.17	10.84	-60.32
CCC(C)N1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574631	0	54	0.0	-76.65	421.20	9.79	-66.86
O=C([O-])C12CC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)(C1)OC2C1=CC=CC=C1	REAL300018574632	0	58	0.0	-73.94	444.54	11.06	-62.88
O=C([O-])C12CC(C[NH2+]C3CC4CCCCC4C3)(C1)OC2C1=CC=CC=C1	REAL300018574633	0	55	0.0	-68.61	404.18	11.23	-57.38
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574634	0	51	0.0	-76.21	401.10	7.35	-68.86
O=C([O-])C12CC(C[NH2+]CC3=NC4=CC=CC=C4S3)(C1)OC2C1=CC=CC=C1	REAL300018574635	0	47	0.0	-72.03	391.55	9.46	-62.57
COC1=CC=CC(C2CC([NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)C2)=C1	REAL300018574636	0	56	0.0	-75.22	435.55	11.26	-63.96
CC1=NOC(C2CC([NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)C2)=N1	REAL300018574637	0	50	0.0	-77.74	398.64	7.60	-70.14
O=C([O-])C12CC(C[NH2+]C3CC(C4CCOCC4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574638	0	56	0.0	-72.16	423.55	9.94	-62.22
CCCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574639	0	51	0.0	-73.24	397.09	10.91	-62.33
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574640	0	52	0.0	-77.40	414.20	9.91	-67.49
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574641	0	58	0.0	-70.69	450.96	13.53	-57.16
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C)=C1	REAL300018574642	0	58	0.0	-70.26	440.63	11.06	-59.20
CCC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=NN1CC	REAL300018574643	0	54	0.0	-70.99	418.18	9.95	-61.04
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C(F)(F)F)=CO1	REAL300018574644	0	48	0.0	-70.33	399.20	9.80	-60.53
CC(F)(F)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574645	0	51	0.0	-73.65	410.30	11.47	-62.18
CN1C=C(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574646	0	52	0.0	-74.85	420.16	7.70	-67.15
CC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)CC2=CC=CC=C21	REAL300018574648	0	58	0.0	-70.61	427.55	12.45	-58.16
C=CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574649	0	52	0.0	-70.14	406.97	11.86	-58.28
COCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574650	0	52	0.0	-72.61	406.30	9.85	-62.76
O=C([O-])C12CC(C[NH2+]CC3=CC=C4CCOCC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574651	0	53	0.0	-72.14	410.81	10.04	-62.10
O=C([O-])C12CC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)(C1)OC2C1=CC=CC=C1	REAL300018574652	0	51	0.0	-83.92	414.50	8.18	-75.74
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=NC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574653	0	48	0.0	-75.70	383.16	9.48	-66.22
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C2CC2)=N1	REAL300018574654	0	55	0.0	-74.66	436.24	10.85	-63.81
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)N=C1	REAL300018574655	0	50	0.0	-69.87	397.78	9.60	-60.27
CC(C)(C)C1=NOC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574656	0	53	0.0	-75.37	402.34	9.80	-65.57
O=C([O-])C12CC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574657	0	50	0.0	-77.79	398.09	10.43	-67.36
CC1=CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CC=CC=C3)O4)=C2O1	REAL300018574658	0	51	0.0	-70.34	408.05	11.18	-59.16
O=C([O-])C12CC(C[NH2+]CC3=CON=C3C3CCC3)(C1)OC2C1=CC=CC=C1	REAL300018574659	0	51	0.0	-78.60	404.58	10.09	-68.51
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1F	REAL300018574660	0	55	0.0	-77.61	432.61	10.88	-66.73
CC1=NN(C2CCCC2)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1	REAL300018574661	0	58	0.0	-77.55	448.15	11.05	-66.50
O=C([O-])C12CC(C[NH2+]CC3=CC=NN3CC(F)F)(C1)OC2C1=CC=CC=C1	REAL300018574662	0	48	0.0	-82.69	390.79	8.81	-73.88
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCC4)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574664	0	52	0.0	-69.49	408.10	9.69	-59.80
O=C([O-])C12CC(C[NH2+]CC3=NN(CC(F)F)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574665	0	48	0.0	-73.66	396.14	8.91	-64.75
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574666	0	49	0.0	-74.44	405.80	9.45	-64.99
CC1=CN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=N1	REAL300018574667	0	48	0.0	-73.23	382.32	9.00	-64.23
O=C([O-])C12CC(C[NH2+]C3CC4CCCC(C4)C3)(C1)OC2C1=CC=CC=C1	REAL300018574668	0	55	0.0	-67.06	392.13	10.80	-56.26
O=C([O-])C12CC(C[NH2+]CC3=NN(C4CCCC4)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574669	0	55	0.0	-69.23	425.67	10.37	-58.86
O=C([O-])C12CC(C[NH2+]CC3=C4OC=CC4=C(F)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574670	0	48	0.0	-76.31	392.58	10.42	-65.89
O=C([O-])C12CC(C[NH2+]CC3=C4OC=CC4=CC(Cl)=C3)(C1)OC2C1=CC=CC=C1	REAL300018574671	0	48	0.0	-72.29	402.89	10.87	-61.42
O=C([O-])C12CC(C[NH2+]CC=CC3=CC=CC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574672	0	49	0.0	-70.56	390.51	11.35	-59.21
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1C1=CC=CO1	REAL300018574673	0	52	0.0	-73.87	421.51	9.33	-64.54
CC1=NN(C2CCC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574674	0	55	0.0	-74.04	426.64	10.40	-63.64
COC1=CC=CC=C1C=CC[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574675	0	53	0.0	-72.51	419.30	10.66	-61.85
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574676	0	52	0.0	-81.95	423.21	9.26	-72.69
CC(C)(C)N1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C1	REAL300018574677	0	59	0.0	-64.19	420.32	8.49	-55.70
COC1=CC(C)=CC(OC)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574678	0	56	0.0	-60.20	437.18	9.42	-50.78
O=C([O-])C12CC(C[NH2+]CC3=CC=C(CF)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574679	0	48	0.0	-74.12	387.87	10.83	-63.29
O=C([O-])C12CC(C[NH2+]CC3=CC=C4SC=CC4=C3)(C1)OC2C1=CC=CC=C1	REAL300018574680	0	48	0.0	-74.60	394.02	11.33	-63.27
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574681	0	51	0.0	-69.36	397.99	9.05	-60.31
O=C([O-])C12CC(C[NH2+]C3CC4CC=CCC4C3)(C1)OC2C1=CC=CC=C1	REAL300018574682	0	53	0.0	-67.31	392.49	11.09	-56.22
C=CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=N1	REAL300018574683	0	49	0.0	-75.11	397.04	9.22	-65.89
O=C([O-])C12CC(C[NH2+]CC3=CC4=NNC=C4C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574684	0	48	0.0	-75.17	383.42	8.72	-66.45
CCC(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=C1	REAL300018574685	0	57	0.0	-70.77	438.56	12.60	-58.17
O=C([O-])C12CC(C[NH2+]C3CCC4(C3)CCOCC4)(C1)OC2C1=CC=CC=C1	REAL300018574686	0	56	0.0	-69.27	407.59	9.26	-60.01
O=C([O-])C12CC(C[NH2+]CC3=CC=CC4=C3CCCC4)(C1)OC2C1=CC=CC=C1	REAL300018574687	0	55	0.0	-70.86	415.26	12.37	-58.49
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574688	0	52	0.0	-75.12	416.91	11.84	-63.28
O=C([O-])C12CC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)(C1)OC2C1=CC=CC=C1	REAL300018574689	0	51	0.0	-86.15	412.25	9.92	-76.23
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C=CC2=CC=CC=C21	REAL300018574690	0	54	0.0	-72.48	415.79	12.77	-59.71
COC1=C2C=CNC2=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574691	0	53	0.0	-70.42	419.75	9.44	-60.98
CCCN1N=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)=C1C	REAL300018574692	0	54	0.0	-73.61	422.73	9.89	-63.72
O=C([O-])C12CC(C[NH2+]C3CCC3CC3=CC=CC=C3)(C1)OC2C1=CC=CC=C1	REAL300018574693	0	55	0.0	-69.67	427.44	12.69	-56.98
CCCN1N=C(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CC=CC=C1)O2	REAL300018574694	0	54	0.0	-77.33	425.81	9.82	-67.51
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)C(C2CCC2)=N1	REAL300018574695	0	55	0.0	-74.91	430.02	10.46	-64.45
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CC=CC=C2)O3)O1	REAL300018574696	0	53	0.0	-72.88	415.71	7.47	-65.41
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)CC1	REAL300018574697	0	45	0.0	-84.27	376.75	9.52	-74.75
CSC1=CC=CC=C1CC(C)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574698	0	49	0.0	-69.40	373.37	11.30	-58.10
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(Cl)=CC3=C2OCC3)CC1	REAL300018574699	0	44	0.0	-74.97	355.06	9.50	-65.47
COC1=CC=C(OC2=CC=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2)C=C1	REAL300018574700	0	54	0.0	-84.77	420.76	11.29	-73.48
CN1C=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(C2CCCCC2)=N1	REAL300018574701	0	55	0.0	-80.71	408.11	10.66	-70.05
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(CC3=CC=CN=C3)N=N2)CC1	REAL300018574702	0	47	0.0	-85.55	374.25	7.69	-77.86
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)CC1	REAL300018574703	0	45	0.0	-83.78	386.07	9.93	-73.85
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)CC1	REAL300018574704	0	46	0.0	-89.33	379.73	9.91	-79.42
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC=CC2=CC=C(F)C=C2F)CC1	REAL300018574705	0	43	0.0	-81.68	344.21	10.52	-71.16
CCCCCC(CCCCC)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574706	0	59	0.0	-71.73	420.19	12.69	-59.04
COC1=CC=C2CCC([NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)CC2=C1	REAL300018574707	0	50	0.0	-79.53	369.40	9.95	-69.58
CC1=NNC(C)=C1S(=O)(=O)N1CCC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300018574708	0	57	0.0	-86.95	425.73	5.85	-81.10
O=C([O-])[C@H]1CC[C@H](C[NH2+]C(CCC2=CC=CC=C2)CC2=CC=CC=C2)CC1	REAL300018574709	0	58	0.0	-80.78	437.01	14.84	-65.94
CCC(CC1=CC=C(C)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574710	0	51	0.0	-70.76	375.48	11.75	-59.01
CCCC(CCC1=CC=CC=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574711	0	54	0.0	-76.01	395.42	12.62	-63.39
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=C(Br)C=CS2)CC1	REAL300018574712	0	36	0.0	-72.63	312.24	8.78	-63.85
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(Br)=CC3=C2OCC3)CC1	REAL300018574713	0	44	0.0	-74.94	359.63	9.60	-65.34
CC(CCC1=CC=C2OCOC2=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574714	0	51	0.0	-81.50	384.29	9.89	-71.61
CC(CCC1=CC=C(O)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574715	0	49	0.0	-78.33	369.23	8.38	-69.95
COC1=CC=C(CC(C)[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1OC	REAL300018574716	0	53	0.0	-78.37	396.11	9.68	-68.69
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574717	0	52	0.0	-79.32	397.47	10.82	-68.50
COC1=CC=C(CCC(C)[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300018574718	0	52	0.0	-77.84	387.71	10.54	-67.30
CC(CC1=CC=C(Cl)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574719	0	45	0.0	-75.10	352.79	10.95	-64.15
CC(CCC1=CC=C(F)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574720	0	48	0.0	-79.24	364.62	11.30	-67.94
CC=CCOC1=CC=C(CCC(C)[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300018574721	0	59	0.0	-77.79	444.18	12.90	-64.89
CC(CCC1=CC=CC=C1F)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574722	0	48	0.0	-73.58	363.67	11.29	-62.29
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCCC2CC2=CC=CC=C2)CC1	REAL300018574723	0	52	0.0	-75.92	383.45	12.27	-63.65
CC1=CC=C(C2CCCC2[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300018574724	0	52	0.0	-69.39	374.55	12.49	-56.90
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574725	0	48	0.0	-78.17	374.79	11.44	-66.73
CC(C)C1=CC=C(CC[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300018574726	0	51	0.0	-77.34	384.31	11.84	-65.50
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCC(C(F)(F)F)CC2)CC1	REAL300018574727	0	45	0.0	-78.07	332.40	9.66	-68.41
CC1CC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)CN(CC2=CC=CC=C2)C1	REAL300018574728	0	57	0.0	-73.47	407.27	10.25	-63.22
CC1=CN2C=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)N=C2C=C1	REAL300018574729	0	45	0.0	-76.71	349.61	10.28	-66.43
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN=C(C3=CC=C(Cl)C=C3)S2)CC1	REAL300018574730	0	45	0.0	-80.74	383.01	10.66	-70.08
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=C(F)C=CC=C2OC(F)(F)F)CC1	REAL300018574731	0	43	0.0	-70.93	351.23	9.00	-61.93
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C3C(=C2)CCN3CC2=CC=CC=C2)CC1	REAL300018574732	0	58	0.0	-80.10	439.67	12.65	-67.45
CN(C)CC1=CN=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300018574733	0	46	0.0	-76.20	364.43	5.85	-70.35
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(C3=CC=C(C(F)(F)F)C=C3)N=C2)CC1	REAL300018574734	0	49	0.0	-85.53	398.79	11.32	-74.21
CC1=CC=CC=C1N1C=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)N=N1	REAL300018574735	0	48	0.0	-81.28	375.31	9.85	-71.43
CCOC1CC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C1SC	REAL300018574736	0	47	0.0	-71.46	365.18	8.70	-62.76
COCCOCC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300018574737	0	53	0.0	-79.88	411.80	9.08	-70.80
CN(C)C1=CC(Cl)=CC(Cl)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574738	0	47	0.0	-69.94	385.53	10.01	-59.93
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(C3CCCC3)C=C2)CC1	REAL300018574740	0	52	0.0	-75.59	385.43	12.33	-63.26
CC1(C2=CC=CC=C2)CC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300018574741	0	49	0.0	-74.06	355.63	11.42	-62.64
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(CC(F)F)N=C2)CC1	REAL300018574742	0	42	0.0	-82.36	339.91	8.10	-74.26
CN1N=CC=C1C1=CC=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574743	0	49	0.0	-74.95	373.61	9.94	-65.01
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(C3CCC3)C=C2)CC1	REAL300018574744	0	49	0.0	-76.44	368.34	11.73	-64.71
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=C(Cl)C=CC=C2N2CCOCC2)CC1	REAL300018574745	0	52	0.0	-70.78	402.97	9.08	-61.70
CC1CN(C2=CC=CC=C2C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)CCO1	REAL300018574746	0	55	0.0	-74.52	408.31	9.43	-65.09
CC(C)C1=CC=C(C2(O)CCC([NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C=C1	REAL300018574747	0	62	0.0	-76.30	443.75	10.91	-65.39
CS(=O)(=O)CC1CCC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300018574748	0	51	0.0	-82.79	379.04	6.78	-76.01
CC1=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)N2C(C3CC3)=CSC2=N1	REAL300018574749	0	49	0.0	-82.86	385.29	11.18	-71.68
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574750	0	52	0.0	-71.50	392.09	12.98	-58.52
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=NN2C2CCCC2)CC1	REAL300018574751	0	49	0.0	-83.09	367.41	9.62	-73.47
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574752	0	49	0.0	-86.79	386.14	10.98	-75.81
CC1=CC(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)=CC=C1C(F)(F)F	REAL300018574753	0	45	0.0	-83.71	355.67	10.63	-73.08
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN=NN2C2=CC=CC=C2)CC1	REAL300018574754	0	45	0.0	-86.18	352.88	8.78	-77.40
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OC3=CC=C(F)C=C3)N=C2)CC1	REAL300018574755	0	49	0.0	-85.72	395.67	9.54	-76.18
COC1=CC=C(C2=CC(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=CC3=C2OCO3)C=N1	REAL300018574756	0	55	0.0	-91.01	436.48	8.17	-82.84
CCCCOC1=CC=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574757	0	52	0.0	-71.79	395.52	11.02	-60.77
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C3OCCOC3=C2)CC1	REAL300018574758	0	45	0.0	-81.23	345.76	8.28	-72.95
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=CC(Br)=C2)CC1	REAL300018574759	0	39	0.0	-80.09	323.87	9.76	-70.33
COC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1OC	REAL300018574760	0	47	0.0	-83.00	360.00	8.32	-74.68
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=CC=C2C(F)(F)F)CC1	REAL300018574761	0	42	0.0	-76.06	329.80	10.19	-65.87
CCOC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1OC	REAL300018574762	0	50	0.0	-82.78	381.86	9.24	-73.54
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(C3=CC=C(F)C=C3)O2)CC1	REAL300018574763	0	46	0.0	-81.15	369.23	11.10	-70.05
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(Br)=CS2)CC1	REAL300018574764	0	36	0.0	-77.51	312.95	8.85	-68.66
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CSC(C3=CC=C(F)C=C3)=N2)CC1	REAL300018574765	0	45	0.0	-77.87	372.51	9.98	-67.89
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(N3C=CC=N3)C=C2)CC1	REAL300018574766	0	46	0.0	-85.06	359.61	10.33	-74.73
COC1=NC2=CC=CC=C2C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574767	0	48	0.0	-80.21	373.45	8.15	-72.06
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(C(F)(F)F)=CC=C2Cl)CC1	REAL300018574768	0	42	0.0	-76.79	353.48	10.64	-66.15
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(F)C(C(F)(F)F)=C2)CC1	REAL300018574769	0	42	0.0	-89.12	346.89	10.20	-78.92
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(Cl)=CC=C2Cl)CC1	REAL300018574770	0	39	0.0	-74.84	332.00	10.10	-64.74
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(F)C=C2C(F)(F)F)CC1	REAL300018574771	0	42	0.0	-81.86	337.53	10.28	-71.58
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(F)=CC(C(F)(F)F)=C2)CC1	REAL300018574772	0	42	0.0	-86.27	348.04	10.22	-76.05
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(F)=CC=C2Br)CC1	REAL300018574773	0	39	0.0	-74.95	325.27	9.76	-65.19
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)CC1	REAL300018574774	0	45	0.0	-87.20	379.05	11.12	-76.08
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=CC(C3=CC=CC=N3)=C2)CC1	REAL300018574775	0	48	0.0	-77.87	372.98	11.00	-66.87
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574776	0	54	0.0	-79.55	396.14	9.67	-69.88
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(Br)=CC(C(F)(F)F)=C2)CC1	REAL300018574777	0	42	0.0	-84.51	361.61	10.73	-73.78
CC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(Br)=C1	REAL300018574778	0	42	0.0	-71.65	338.95	10.34	-61.31
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=NC=CC=C2C(F)(F)F)CC1	REAL300018574779	0	41	0.0	-70.27	326.43	8.22	-62.05
COC1=CC=C2OC(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=CC2=C1	REAL300018574780	0	46	0.0	-82.76	359.93	8.95	-73.81
CC1=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C2=CC=CC=C2O1	REAL300018574781	0	45	0.0	-80.00	349.52	10.26	-69.74
CC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1Br	REAL300018574782	0	42	0.0	-79.71	342.07	10.33	-69.38
CC1=CN2C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=CN=C2C=C1	REAL300018574783	0	45	0.0	-82.99	349.32	10.20	-72.79
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN=C3C=CSC3=C2)CC1	REAL300018574784	0	41	0.0	-84.15	333.12	8.59	-75.56
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574785	0	45	0.0	-85.18	365.71	10.00	-75.18
CC1=CC(Cl)=CC(C)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574786	0	45	0.0	-79.21	351.15	10.68	-68.53
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OC(F)F)C(F)=C2)CC1	REAL300018574787	0	43	0.0	-86.25	348.06	8.79	-77.46
CC1=NN2C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=C(C)N=C2S1	REAL300018574788	0	44	0.0	-80.00	355.60	8.30	-71.70
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=CC(OCC3=CC=C(F)C=C3)=C2)CC1	REAL300018574789	0	53	0.0	-79.28	418.93	12.46	-66.82
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574790	0	45	0.0	-84.97	364.47	9.97	-75.00
CC(C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC(Br)=C1	REAL300018574791	0	45	0.0	-78.78	358.56	11.02	-67.76
COC1=CC(Cl)=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1Cl	REAL300018574792	0	43	0.0	-76.42	358.63	9.45	-66.97
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2F)CC1	REAL300018574793	0	48	0.0	-80.40	376.20	10.80	-69.60
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2CCOC3=CC=CC=C32)CC1	REAL300018574794	0	47	0.0	-82.29	348.21	9.54	-72.75
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574795	0	61	0.0	-80.67	455.48	13.09	-67.58
CC1(C)CCC2=C(C1)SC(C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)=N2	REAL300018574796	0	51	0.0	-75.40	386.80	9.81	-65.59
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN=C(C3CCCO3)S2)CC1	REAL300018574797	0	46	0.0	-80.55	364.99	7.36	-73.19
COC1=C(Br)C=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300018574798	0	40	0.0	-80.46	344.48	8.32	-72.14
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN=CC(Br)=C2)CC1	REAL300018574799	0	38	0.0	-82.80	317.42	7.93	-74.87
CCN1N=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C2=CC=CC=C21	REAL300018574800	0	48	0.0	-78.80	374.33	9.93	-68.87
O=C([O-])[C@H]1CC[C@H](C[NH2+]CCCCC2=CC=CC(C(F)(F)F)=C2)CC1	REAL300018574801	0	51	0.0	-78.54	404.49	12.44	-66.10
CCSC1=CC=CC(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300018574802	0	46	0.0	-77.20	362.94	10.96	-66.24
O=C([O-])[C@H]1CC[C@H](C[NH2+]CCSCC2=CC=CC=C2)CC1	REAL300018574803	0	46	0.0	-77.85	368.78	11.25	-66.60
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574804	0	52	0.0	-78.36	398.66	10.14	-68.22
CCS(=O)(=O)C1=C(Cl)C=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574805	0	48	0.0	-84.90	386.30	8.62	-76.28
O=C([O-])[C@H]1CC[C@H](C[NH2+]CCCC2=CC=C3OCCC3=C2)CC1	REAL300018574806	0	50	0.0	-80.88	380.17	10.50	-70.38
COC1=C(Br)C=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574807	0	43	0.0	-78.06	352.56	9.19	-68.87
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCC(CC3=CC=CC=C3)C2)CC1	REAL300018574808	0	52	0.0	-75.82	382.68	12.19	-63.63
CC1(C2=CC=CC=C2)CCC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300018574809	0	52	0.0	-76.11	377.32	11.80	-64.31
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(CC3=CC=C(F)C=C3)N=C2)CC1	REAL300018574810	0	49	0.0	-83.13	391.91	10.86	-72.27
O=C([O-])[C@H]1CC[C@H](C[NH2+]CCCC2=C(F)C=CC=C2Cl)CC1	REAL300018574811	0	45	0.0	-74.67	363.62	11.11	-63.56
CC1=NC2=CC=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2C=C1	REAL300018574812	0	47	0.0	-85.74	365.27	10.12	-75.62
CC(C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC(Cl)=C1	REAL300018574813	0	45	0.0	-78.80	354.00	10.91	-67.89
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(Br)O2)CC1	REAL300018574814	0	36	0.0	-79.48	303.70	7.99	-71.49
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574815	0	45	0.0	-82.30	355.11	10.75	-71.55
COC1=CC=C2N=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)SC2=C1	REAL300018574816	0	45	0.0	-79.50	362.90	7.93	-71.57
CCC1=CC=CC(Cl)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574817	0	45	0.0	-70.97	351.35	10.75	-60.22
CC(CC1=CC=C(Br)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574818	0	45	0.0	-75.16	357.35	11.06	-64.10
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC(Br)=C(Cl)S2)CC1	REAL300018574819	0	36	0.0	-81.44	328.99	9.42	-72.02
CCN(C)C1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=N1	REAL300018574820	0	49	0.0	-79.71	373.03	9.93	-69.78
COCCN(C)C1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=N1	REAL300018574821	0	53	0.0	-81.47	404.40	9.11	-72.36
CC(C)N(C)C1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=N1	REAL300018574822	0	52	0.0	-79.69	389.30	10.42	-69.27
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OCC3CC3)C=C2)CC1	REAL300018574823	0	50	0.0	-79.08	384.29	10.92	-68.16
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=NC=CN2C2=CC=CC=C2)CC1	REAL300018574824	0	46	0.0	-73.36	357.62	10.73	-62.63
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=NNC=C2C2=CC=CC=C2)CC1	REAL300018574825	0	46	0.0	-73.14	358.63	9.05	-64.09
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=C(C3=CC=CC=C3)C=NN2)CC1	REAL300018574825	1	46	0.0	-79.73	359.83	9.05	-70.68
COC1=CC=C(CCC(C)[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1O	REAL300018574826	0	53	0.0	-80.63	398.48	8.36	-72.27
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(CC3=CC=CC=C3)CC2)CC1	REAL300018574827	0	54	0.0	-75.13	394.63	9.70	-65.43
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCCCC2C2CCCCC2)CC1	REAL300018574828	0	58	0.0	-71.20	388.98	12.37	-58.83
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCC(C3=CC=CC=C3)CC2)CC1	REAL300018574829	0	52	0.0	-75.81	372.26	12.21	-63.60
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCCCC2C2=CC=CC=C2)CC1	REAL300018574830	0	52	0.0	-67.99	364.93	12.36	-55.63
CCCCCCC1CCCC1[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574831	0	57	0.0	-72.25	405.66	12.78	-59.47
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCCN(CC3=CC=CC=C3)C2)CC1	REAL300018574832	0	54	0.0	-74.30	393.34	9.67	-64.63
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(C3=CC=CC=C3)CC2)CC1	REAL300018574833	0	51	0.0	-76.53	368.63	9.42	-67.11
CC1(C2=CC=CC=C2)CCC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300018574834	0	55	0.0	-74.88	379.89	12.26	-62.62
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(Cl)C(Br)=C2)CC1	REAL300018574835	0	39	0.0	-84.43	338.70	10.22	-74.21
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(Br)C3=CC=CN=C23)CC1	REAL300018574837	0	44	0.0	-76.22	360.92	10.18	-66.04
COC1=CC(Br)=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1O	REAL300018574838	0	44	0.0	-76.81	358.20	6.87	-69.94
CCC1=NOC(C2CCC([NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)=N1	REAL300018574839	0	53	0.0	-82.46	393.94	8.27	-74.19
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OC3=CC=CC=C3)O2)CC1	REAL300018574840	0	47	0.0	-82.97	369.36	10.92	-72.05
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(CCC3=CC=C(F)C=C3)CC2)CC1	REAL300018574841	0	57	0.0	-77.05	423.52	10.64	-66.41
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1	REAL300018574842	0	47	0.0	-76.82	352.09	7.29	-69.53
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(C3=CC=CC=N3)CC2)CC1	REAL300018574843	0	50	0.0	-78.23	367.67	8.87	-69.36
COC1=CC=C(N2CCC([NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)CC2)C=C1	REAL300018574845	0	55	0.0	-79.31	399.49	8.74	-70.57
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(C3=CC=C([N+](=O)[O-])C=C3)CC2)CC1	REAL300018574847	0	53	0.0	-87.31	398.14	10.12	-77.19
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1	REAL300018574848	0	50	0.0	-76.86	375.32	7.93	-68.93
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574849	0	53	0.0	-74.34	403.53	11.91	-62.43
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(SC(F)F)C=C2)CC1	REAL300018574850	0	43	0.0	-80.80	351.07	10.39	-70.41
COC1=CC(C)=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(C)=N1	REAL300018574851	0	48	0.0	-82.98	363.25	6.90	-76.08
CC1=CC=C(C2CC([NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)C2)C=C1	REAL300018574852	0	49	0.0	-76.03	365.50	11.57	-64.46
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CC(C3=CC=CC(F)=C3)C2)CC1	REAL300018574853	0	46	0.0	-79.35	351.73	10.98	-68.37
CC1=CC=CC=C1C1CC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300018574854	0	49	0.0	-76.87	361.01	11.42	-65.45
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CC(C3=CC=CC=C3F)C2)CC1	REAL300018574855	0	46	0.0	-76.98	349.18	10.92	-66.06
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)CC1	REAL300018574856	0	47	0.0	-75.04	345.53	7.15	-67.89
COC1=CC=CC2=C1CCC([NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C2	REAL300018574857	0	50	0.0	-79.02	368.02	10.04	-68.98
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(SC3=CC=CC=N3)O2)CC1	REAL300018574858	0	46	0.0	-78.82	377.34	10.28	-68.54
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OC3=CC=CC(F)=C3)C=C2)CC1	REAL300018574859	0	50	0.0	-82.37	398.07	12.11	-70.26
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CC(C3=CC=C(Br)C=C3)C2)CC1	REAL300018574860	0	46	0.0	-78.84	365.28	11.51	-67.33
CC(C)(C)C1=CC=C(CC[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1	REAL300018574861	0	54	0.0	-77.12	400.28	12.25	-64.87
CCOC1=C(Cl)C=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574862	0	46	0.0	-76.89	368.66	10.02	-66.87
CN1N=CC(Br)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574863	0	39	0.0	-81.29	324.47	7.31	-73.98
CCOC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=C1F	REAL300018574864	0	46	0.0	-85.23	360.16	9.45	-75.78
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN=C(C3=CC=CO3)S2)CC1	REAL300018574865	0	42	0.0	-82.65	350.38	8.25	-74.40
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=NN2C2=CC=CC=C2)CC1	REAL300018574866	0	46	0.0	-80.73	358.74	10.05	-70.68
CC(C)(C)C1=CN=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)S1	REAL300018574867	0	47	0.0	-75.36	368.91	8.94	-66.42
CC1=NN(C)C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1Br	REAL300018574868	0	42	0.0	-80.84	344.27	7.84	-73.00
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2(C3=CC=CC=C3)CCOC2)CC1	REAL300018574869	0	50	0.0	-76.14	363.99	9.67	-66.47
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=C(OCCCCl)C=C2)CC1	REAL300018574870	0	49	0.0	-80.44	391.26	10.77	-69.67
CN1C=C(C2=CC=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)C=C2)C=N1	REAL300018574871	0	49	0.0	-82.09	381.37	10.42	-71.67
CN(C)C1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(C(F)(F)F)=C1	REAL300018574872	0	50	0.0	-76.58	383.59	10.61	-65.97
CC(C)C(C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=CC=C1	REAL300018574873	0	51	0.0	-75.43	376.74	11.49	-63.94
CC([NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCN(CC2=CC=CC=C2)C1	REAL300018574874	1	57	0.0	-75.25	413.60	10.06	-65.19
CC([NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1CCS(=O)(=O)CC1	REAL300018574875	0	48	0.0	-91.39	351.47	5.81	-85.58
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CC=NN2C2=CC=C(F)C=C2)CC1	REAL300018574876	0	46	0.0	-82.81	363.83	10.08	-72.73
CC1=CC=CC=C1N1N=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574877	0	49	0.0	-79.41	377.92	10.98	-68.43
COC1=CC=CC=C1N1N=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574878	0	50	0.0	-80.13	386.83	9.48	-70.65
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C=N1	REAL300018574879	0	53	0.0	-85.62	410.94	11.57	-74.05
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2CCC(C3=CC=CC=C3)CC2)CC1	REAL300018574880	0	55	0.0	-78.74	393.81	12.68	-66.06
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC(CC2=CC=CC=C2)CC2=CC=CC=C2)CC1	REAL300018574881	0	58	0.0	-80.20	434.43	14.73	-65.47
CC(CC1=CC=CC(C(F)(F)F)=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574882	0	48	0.0	-77.30	376.15	11.46	-65.84
CC1=CC=CN=C1C1CCCC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C1	REAL300018574883	0	54	0.0	-75.24	392.37	10.82	-64.42
O=C([O-])[C@H]1CC[C@H](C[NH2+]C2CCC(C3=CC=C(C(F)(F)F)C=C3)C2)CC1	REAL300018574884	0	52	0.0	-79.87	399.99	12.45	-67.42
CCC1=CC(OC)=CC=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574885	0	49	0.0	-77.91	364.21	9.68	-68.23
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=C(Br)N3C=CC=CC3=N2)CC1	REAL300018574886	0	42	0.0	-72.26	348.76	10.07	-62.19
CN1C=C(C2=CC=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)S2)C=N1	REAL300018574887	0	46	0.0	-80.50	375.20	9.81	-70.69
CC1=NN(C2=CC=CC=N2)C(C)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574888	0	51	0.0	-82.53	394.10	11.00	-71.53
CC1=CC=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(C2=CC=NN2C)=C1	REAL300018574889	0	52	0.0	-74.89	395.00	10.60	-64.29
CC(C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=C(C(F)(F)F)C=C1	REAL300018574890	0	48	0.0	-81.73	376.00	11.41	-70.32
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=C(Cl)N(CC3=CC=CC=C3)N=C2)CC1	REAL300018574891	0	49	0.0	-77.07	401.90	11.12	-65.95
COC1=CC=CC(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1OC	REAL300018574892	0	47	0.0	-75.49	360.03	8.38	-67.11
O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CNN=C2C2=CC=CN=C2)CC1	REAL300018574893	0	45	0.0	-80.07	353.72	7.22	-72.85
CC1=NN(C)C2=NC=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)C=C12	REAL300018574894	0	47	0.0	-90.42	368.84	8.87	-81.55
CN1C=NC2=CC(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=CC=C21	REAL300018574895	0	45	0.0	-82.61	350.96	10.49	-72.12
CN1N=NC2=CC(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=CC=C21	REAL300018574896	0	44	0.0	-90.37	346.56	7.60	-82.77
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CC(CC1=CC=CC=C1)N1CCC([NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)CC1	REAL300018574898	1	60	0.0	-75.21	429.96	10.93	-64.28
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C#CCOC1=CC=CC(Cl)=C1C[NH2+]C[C@@H]1CC[C@@H](C(=O)[O-])CC1	REAL300018574955	0	45	0.0	-68.75	372.45	10.39	-58.36
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CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574967	0	52	0.0	-82.92	401.13	11.59	-71.33
CC(C)(C)C1=NN(C2=CC=CC=C2)C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574968	0	58	0.0	-80.78	427.01	12.72	-68.06
CN1C=C(C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)C(C(C)(C)C)=N1	REAL300018574969	0	51	0.0	-79.28	374.06	9.22	-70.06
CC1=CC=C(C2=NN(C)C=C2C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)O1	REAL300018574970	0	49	0.0	-76.81	386.53	9.56	-67.25
CC1=CC=C(N2C=C(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)C(C(C)(C)C)=N2)C=C1	REAL300018574971	0	61	0.0	-81.26	450.17	13.27	-67.99
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CN(C)C1=CC=C(F)C=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574973	0	47	0.0	-74.55	360.66	9.24	-65.31
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CC(CCC1=CC=C(Cl)S1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574975	0	45	0.0	-78.10	366.81	10.97	-67.13
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CC(CC1=CC=CC=C1C(F)(F)F)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574977	0	48	0.0	-71.33	364.53	11.09	-60.24
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COC1=CC=CC(C2=NN(C(C)(C)C)C=C2C[NH2+]C[C@H]2CC[C@H](C(=O)[O-])CC2)=C1	REAL300018574979	0	62	0.0	-81.96	471.33	11.60	-70.36
CCC(CC1=CC=C(Cl)C=C1)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574980	0	48	0.0	-74.12	361.88	11.37	-62.75
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CC(CCC1=CC=CC=C1)C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574984	0	51	0.0	-76.15	381.59	12.01	-64.14
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CC(CCC1=CN=CC2=CC=CC=C21)[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574986	0	53	0.0	-80.50	396.12	11.60	-68.90
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CC1=C(C)C=C2OC(C[NH2+]C[C@H]3CC[C@H](C(=O)[O-])CC3)=CC2=C1	REAL300018574988	0	48	0.0	-79.88	367.44	10.85	-69.03
CCC1=NN(C)C(CC)=C1C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1	REAL300018574989	0	51	0.0	-79.47	383.19	9.38	-70.09
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CC(C[NH2+]C[C@H]1CC[C@H](C(=O)[O-])CC1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300018574995	0	51	0.0	-89.67	399.27	7.96	-81.71
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O=C([O-])[C@H]1CC[C@H](C[NH2+]CC2=CN(C3=CC=C(F)C=C3Cl)N=N2)CC1	REAL300018575000	0	45	0.0	-85.61	379.06	9.73	-75.88
CC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1F	REAL300018577695	0	46	0.0	-51.13	374.99	10.27	-40.86
CC1(C)CCCCC1[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577696	0	52	0.0	-44.28	374.23	9.98	-34.30
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018577698	0	45	0.0	-45.95	383.35	11.02	-34.93
CC(C)=CCCC(C)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577699	0	52	0.0	-36.87	395.15	10.50	-26.37
CC1(C)CC([NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])CC(C)(C)C1	REAL300018577700	0	58	0.0	-34.43	418.75	11.07	-23.36
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CC1=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CC=C1F	REAL300018577707	0	46	0.0	-41.39	375.62	10.50	-30.89
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CC1=CC(C)=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577715	0	49	0.0	-37.91	391.86	11.09	-26.82
COC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300018577716	0	49	0.0	-55.73	404.42	10.52	-45.21
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018577717	0	43	0.0	-41.25	382.51	10.78	-30.47
CC1=CC=CC(C)=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577718	0	49	0.0	-36.11	382.00	10.85	-25.26
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577719	0	56	0.0	-38.75	445.08	13.85	-24.90
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018577720	0	47	0.0	-42.85	388.15	9.38	-33.47
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O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=CN=C1	REAL300018577724	0	41	0.0	-44.12	338.67	7.77	-36.35
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=C1Br	REAL300018577725	0	43	0.0	-49.27	371.35	10.19	-39.08
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018577726	0	46	0.0	-44.20	388.53	8.89	-35.31
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018577727	0	48	0.0	-51.76	384.70	9.83	-41.93
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018577728	0	47	0.0	-51.71	394.27	9.35	-42.36
CS(=O)(=O)C1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300018577729	0	49	0.0	-50.19	409.74	7.28	-42.91
CC(CCOCC1=CC=CC=C1)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577730	0	56	0.0	-38.24	434.93	10.68	-27.56
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018577731	0	50	0.0	-40.16	409.31	12.07	-28.09
CC(C)CCCC(C)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577732	0	54	0.0	-36.79	401.55	10.45	-26.34
CCCCC(CC)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577733	0	51	0.0	-33.66	379.67	10.17	-23.49
COC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C2=CC=CC=C12	REAL300018577734	0	53	0.0	-48.96	417.57	11.06	-37.90
CCC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300018577735	0	46	0.0	-45.63	381.86	10.24	-35.39
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CCCOC1	REAL300018577736	0	45	0.0	-37.98	355.78	7.63	-30.35
CN1C2=CC=CC=C2N=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577737	0	49	0.0	-39.50	396.30	10.12	-29.38
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2OCCC2=C1	REAL300018577738	0	48	0.0	-41.88	384.93	9.60	-32.28
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC(Br)=C1	REAL300018577739	0	40	0.0	-39.04	360.70	9.45	-29.59
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018577740	0	54	0.0	-41.48	422.97	9.67	-31.81
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577741	0	51	0.0	-58.00	425.22	6.18	-51.82
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=CS1	REAL300018577742	0	39	0.0	-40.34	333.79	7.01	-33.33
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018577743	0	47	0.0	-38.60	380.08	9.82	-28.78
CN1C=NC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577744	0	43	0.0	-44.47	349.05	8.92	-35.55
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018577745	0	47	0.0	-50.20	380.04	9.59	-40.61
CC1=NN(C)C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577746	0	46	0.0	-52.01	371.24	7.71	-44.30
CC(CC1=CC=CS1)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577747	0	46	0.0	-33.19	374.34	10.21	-22.98
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018577748	0	46	0.0	-54.01	388.27	8.65	-45.36
CC1=CC(F)=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577749	0	46	0.0	-40.20	370.10	10.47	-29.73
CC1(C)CCC2=CC(C[NH2+][C@H](COCC3=CC=CC=C3)CC(=O)[O-])=CC=C2O1	REAL300018577750	0	57	0.0	-41.41	439.63	11.59	-29.82
CC(CC(C)(C)C1=CC=CC=C1)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577751	0	58	0.0	-35.16	426.45	12.76	-22.40
CN(C)C1=CC=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577752	0	51	0.0	-36.06	400.41	9.76	-26.30
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018577753	0	52	0.0	-43.28	418.12	11.43	-31.85
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018577754	0	52	0.0	-52.59	417.69	11.21	-41.38
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC=N1	REAL300018577755	1	39	0.0	-35.71	333.66	6.78	-28.93
CN1CCN(C2=CC=C(C[NH2+][C@H](COCC3=CC=CC=C3)CC(=O)[O-])C=C2)CC1	REAL300018577756	1	60	0.0	-39.23	458.26	8.47	-30.76
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018577757	0	52	0.0	-44.47	429.75	8.35	-36.12
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018577758	0	53	0.0	-52.97	407.93	7.40	-45.57
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018577759	0	57	0.0	-41.25	436.31	8.51	-32.74
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018577760	0	50	0.0	-46.47	414.14	11.08	-35.39
CC1=NNC(C)=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577761	0	46	0.0	-39.18	369.45	7.33	-31.85
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018577762	0	50	0.0	-45.85	424.46	11.53	-34.32
CC(C)(C)N1C=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300018577763	0	52	0.0	-42.52	411.67	9.62	-32.90
CN1N=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577764	0	43	0.0	-42.75	349.67	7.40	-35.35
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018577765	0	50	0.0	-43.86	419.97	10.45	-33.41
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018577766	0	47	0.0	-49.04	403.39	9.71	-39.33
COC1=CC=CC(C2=NNC=C2C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577767	0	54	0.0	-43.46	427.92	8.98	-34.48
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018577768	0	53	0.0	-45.87	418.06	9.65	-36.22
CC(C)C1=NN(C)C=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577770	0	52	0.0	-50.88	413.84	9.21	-41.67
COCCOC1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577771	0	54	0.0	-42.32	433.88	9.29	-33.03
COC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1Cl	REAL300018577772	0	47	0.0	-51.49	393.80	9.41	-42.08
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CSC(C2=CC=CC=N2)=N1	REAL300018577773	0	48	0.0	-38.05	409.16	8.72	-29.33
CC(C)N1C2=CC=CC=C2N=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577774	0	55	0.0	-38.41	430.43	11.34	-27.07
COC1=NC=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577775	0	46	0.0	-42.06	374.73	6.55	-35.51
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Br)C=N1	REAL300018577776	0	42	0.0	-36.52	365.19	8.56	-27.96
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018577777	0	52	0.0	-41.92	422.71	7.08	-34.84
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018577778	0	48	0.0	-51.91	384.75	9.82	-42.09
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018577779	0	50	0.0	-43.35	419.83	10.49	-32.86
CC1=NC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300018577780	0	42	0.0	-48.82	354.97	7.53	-41.29
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018577781	0	49	0.0	-48.02	391.27	8.77	-39.25
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018577782	0	52	0.0	-39.89	409.02	9.79	-30.10
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018577783	0	50	0.0	-38.19	408.43	12.07	-26.12
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018577784	0	50	0.0	-41.11	405.23	12.00	-29.11
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018577785	0	51	0.0	-45.55	418.06	11.08	-34.47
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018577786	0	54	0.0	-45.93	427.19	8.15	-37.78
CCCN1C2=CC=CC=C2N=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577787	0	55	0.0	-38.23	439.60	11.78	-26.45
CCCOC1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577788	0	53	0.0	-40.44	421.75	10.82	-29.62
CC(CN1C=NC=N1)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577789	0	45	0.0	-36.82	359.57	9.66	-27.16
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CC1=CC=CC(C2=NNC=C2C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577860	0	53	0.0	-42.10	419.84	10.35	-31.75
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CC(C)COC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300018577867	0	56	0.0	-40.39	442.00	11.48	-28.91
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CC1(C)CCCC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C1	REAL300018577870	0	55	0.0	-36.81	404.02	11.01	-25.80
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CC1=CC(N(C)C)=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577872	0	54	0.0	-46.30	415.92	10.60	-35.70
CC1(C)CCCC1[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577873	0	49	0.0	-33.64	360.38	10.05	-23.59
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O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC(Br)=C1	REAL300018577892	0	43	0.0	-52.01	376.39	10.25	-41.76
CCC([NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-])C1CCCC1	REAL300018577893	0	52	0.0	-38.98	378.55	10.01	-28.97
CC1=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=NN1C	REAL300018577894	0	46	0.0	-37.30	371.40	7.95	-29.35
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CN1C=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018577896	0	53	0.0	-49.09	420.62	10.63	-38.46
CCC1=NC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300018577897	0	47	0.0	-43.51	381.85	8.38	-35.13
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC(N2C=CC=N2)=C1	REAL300018577898	0	50	0.0	-39.56	407.46	10.96	-28.60
CC1=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=NO1	REAL300018577899	1	42	0.0	-36.95	345.97	7.91	-29.04
CCN1C=NC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577900	0	46	0.0	-43.34	365.82	9.92	-33.42
CC1=NC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])N1C	REAL300018577901	0	46	0.0	-52.42	369.22	8.53	-43.89
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=NC=C2C=C1	REAL300018577902	0	48	0.0	-43.57	390.05	10.25	-33.32
CC1=C(Br)SC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577903	0	43	0.0	-48.52	380.18	10.00	-38.52
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=NNC=C21	REAL300018577904	0	46	0.0	-43.92	375.01	8.49	-35.43
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=CC2=CNN=C21	REAL300018577905	0	46	0.0	-49.72	374.95	8.25	-41.47
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C2CCCN12	REAL300018577906	0	47	0.0	-44.25	374.91	9.37	-34.88
CS(=O)(=O)N1CCC([NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300018577907	0	51	0.0	-44.92	402.50	5.59	-39.33
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C=N1	REAL300018577908	0	42	0.0	-37.07	350.27	8.04	-29.03
CC1=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])SC=N1	REAL300018577909	0	42	0.0	-48.65	352.49	7.33	-41.32
COC1=CC(F)=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577910	0	47	0.0	-51.20	384.60	8.94	-42.26
CC(CC1=CN=CC=N1)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577911	0	47	0.0	-35.86	370.60	7.18	-28.68
CC(C)(C)C1=NC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=N1	REAL300018577912	0	53	0.0	-53.03	420.31	9.52	-43.51
CC1=NOC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577913	0	42	0.0	-41.60	345.97	7.94	-33.66
COC1=CC=CC=C1N1CCC([NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])CC1	REAL300018577914	0	59	0.0	-39.06	444.61	9.66	-29.40
CC1=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=CO1	REAL300018577915	0	43	0.0	-37.03	349.01	8.56	-28.47
CC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(Cl)=C1	REAL300018577916	0	46	0.0	-46.69	382.80	10.69	-36.00
COC1=CC=C(OC(F)F)C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577917	0	51	0.0	-48.63	416.13	8.49	-40.14
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC=C1OC(F)F	REAL300018577918	0	47	0.0	-34.49	401.01	9.81	-24.68
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1	REAL300018577919	0	45	0.0	-49.44	389.57	10.84	-38.60
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CCC1=CC=CC(Cl)=C1	REAL300018577920	0	46	0.0	-38.20	387.28	11.06	-27.14
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCCC1C1=CC=CC=C1	REAL300018577921	0	53	0.0	-33.40	407.11	12.05	-21.35
CC1=CC=C(C2=NC=C(C[NH2+][C@H](COCC3=CC=CC=C3)CC(=O)[O-])S2)C=C1	REAL300018577922	0	52	0.0	-49.96	435.11	11.27	-38.69
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21	REAL300018577923	0	48	0.0	-39.21	405.45	10.80	-28.41
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21	REAL300018577924	0	48	0.0	-34.47	402.80	10.69	-23.78
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(F)C2=CC=CN=C12	REAL300018577925	0	48	0.0	-42.54	394.37	10.36	-32.18
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(F)=CC2=CC=CN=C21	REAL300018577926	0	48	0.0	-39.94	395.16	10.36	-29.58
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12	REAL300018577927	0	48	0.0	-41.95	403.23	10.74	-31.21
CS(=O)C1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300018577928	0	48	0.0	-54.32	401.25	8.36	-45.96
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl	REAL300018577929	0	45	0.0	-56.92	389.61	10.69	-46.23
CC(C)CCN1C=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577930	0	56	0.0	-44.84	430.78	12.01	-32.83
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300018577931	0	53	0.0	-39.05	436.09	12.43	-26.62
CCC1=CC=C(C2=CC=C(C[NH2+][C@H](COCC3=CC=CC=C3)CC(=O)[O-])O2)C=C1	REAL300018577932	0	56	0.0	-38.14	452.02	13.13	-25.01
COC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(OC(F)F)=C1	REAL300018577933	0	51	0.0	-43.78	416.31	8.72	-35.06
CCC1CC([NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])CCO1	REAL300018577934	0	50	0.0	-38.72	376.01	7.98	-30.74
CC(C)C1CC([NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])CCO1	REAL300018577935	0	53	0.0	-37.90	386.32	9.03	-28.87
CCN1C=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018577936	0	56	0.0	-48.54	442.15	11.50	-37.04
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=C2CCCCC2=C1	REAL300018577937	0	53	0.0	-47.14	410.97	12.05	-35.09
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCC(C2CCCCC2)CC1	REAL300018577938	0	62	0.0	-35.49	445.14	12.78	-22.71
CC(C)CC(C)CC(C)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577939	0	57	0.0	-34.02	419.59	11.33	-22.69
CC1=CC=C(C(C)C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300018577940	0	52	0.0	-37.62	406.66	11.74	-25.88
COC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1C(C)(C)C	REAL300018577941	0	59	0.0	-39.27	449.57	11.78	-27.49
COCC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300018577942	0	47	0.0	-38.19	385.22	7.81	-30.38
CC(C)(C)OC1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577943	0	56	0.0	-49.10	428.84	10.70	-38.40
CC(C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-])C1CCCCC1	REAL300018577944	0	55	0.0	-48.26	404.35	11.01	-37.25
NS(=O)(=O)C1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300018577945	0	48	0.0	-50.14	403.22	4.72	-45.42
CCC(CC)(CC)C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577946	0	54	0.0	-34.56	387.46	10.28	-24.28
CC1=CN=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300018577947	1	42	0.0	-40.88	346.30	5.36	-35.52
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCC2=CC=CC(Cl)=C2C1	REAL300018577948	0	50	0.0	-38.70	396.28	11.31	-27.39
CC1=CNC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300018577949	0	43	0.0	-38.01	350.24	7.12	-30.89
CCOC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C(C)=C1	REAL300018577950	0	53	0.0	-39.51	415.04	10.63	-28.88
COC1=CC(C)=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577951	0	50	0.0	-45.97	398.32	9.60	-36.37
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1CCC2=CC=CC=C2C1	REAL300018577952	0	53	0.0	-39.90	408.80	12.20	-27.70
NC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577953	0	45	0.0	-49.10	390.31	8.67	-40.43
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCC(C2=CC=C(F)C=C2)C1	REAL300018577954	0	53	0.0	-39.29	408.50	12.16	-27.13
CC1=NC(C)=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])O1	REAL300018577955	0	45	0.0	-40.38	367.08	5.91	-34.47
COCC1=CSC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577956	0	47	0.0	-48.16	394.21	8.40	-39.76
CCCC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300018577957	0	49	0.0	-35.40	403.98	11.26	-24.14
CC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])N=C1	REAL300018577958	0	45	0.0	-34.97	365.31	8.62	-26.35
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC=NS1	REAL300018577959	0	39	0.0	-50.62	333.48	7.39	-43.23
CC(C)N1C=CN=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577960	0	49	0.0	-35.89	389.90	9.57	-26.32
CC1=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018577961	0	48	0.0	-50.30	386.13	10.92	-39.38
CC1=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CC=C1Br	REAL300018577962	0	46	0.0	-40.39	388.39	10.98	-29.41
COC1=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CC=C1Cl	REAL300018577963	0	47	0.0	-52.73	393.80	9.41	-43.32
CC1=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CS1	REAL300018577964	0	43	0.0	-38.11	360.91	9.51	-28.60
COC1=CC=CC(C)=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577965	0	50	0.0	-37.23	394.21	9.65	-27.58
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=C2OC=CC2=CC=C1	REAL300018577966	0	46	0.0	-49.00	376.03	9.89	-39.11
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=NN(C2=CC=CC=C2)C=C1	REAL300018577967	0	50	0.0	-37.97	407.79	10.91	-27.06
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C(C(F)(F)F)S1	REAL300018577968	0	42	0.0	-53.69	374.34	7.98	-45.71
CC1CSCC1[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577969	0	44	0.0	-34.34	344.99	8.98	-25.36
CCC1=NN(C)C=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577970	0	49	0.0	-51.29	392.60	8.69	-42.60
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=NN2CCCCC2=C1	REAL300018577971	0	50	0.0	-36.17	393.49	9.12	-27.05
CCC1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577972	0	49	0.0	-47.21	391.16	10.99	-36.22
COC1=NC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])S1	REAL300018577973	0	43	0.0	-49.99	365.78	5.19	-44.80
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CC2=CC=C(Cl)C=C2C1	REAL300018577974	0	47	0.0	-39.00	387.32	11.37	-27.63
CC1=NC=CN=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577975	0	44	0.0	-49.40	355.24	6.37	-43.03
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1CCC2(CC2)CC1	REAL300018577976	0	50	0.0	-35.79	379.05	10.46	-25.33
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=C(C=N1)OCCO2	REAL300018577977	0	48	0.0	-38.41	388.33	7.15	-31.26
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN=C2C=CC(Cl)=CN12	REAL300018577978	0	46	0.0	-43.42	392.62	10.70	-32.72
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]C1C[C@@H]2CC[C@@H](C2)C1	REAL300018577979	0	50	0.0	-35.27	346.21	10.25	-25.02
CC1=CC=CN2C(C[NH2+][C@H](COCC3=CC=CC=C3)CC(=O)[O-])=CN=C12	REAL300018577980	0	49	0.0	-52.97	396.56	10.60	-42.37
CCN1N=CN=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577981	1	45	0.0	-49.74	366.24	8.69	-41.05
CN1C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CN=C1Cl	REAL300018577982	0	43	0.0	-53.85	365.02	8.44	-45.41
CN1C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=CN=C1Br	REAL300018577983	0	43	0.0	-53.73	369.31	8.46	-45.27
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300018577984	1	49	0.0	-41.70	408.36	9.67	-32.03
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC(C(F)(F)F)=NN1	REAL300018577985	0	43	0.0	-47.24	370.09	7.11	-40.13
CC1=CN=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])N1C	REAL300018577986	0	46	0.0	-36.84	369.36	8.62	-28.22
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=C(F)C=CC=C2N1	REAL300018577987	0	47	0.0	-52.54	387.07	9.58	-42.96
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=C(F)C=C2N1	REAL300018577988	0	47	0.0	-53.20	386.97	9.58	-43.62
CCOC1=CC=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=N1	REAL300018577989	0	49	0.0	-37.36	398.07	7.35	-30.01
CC1=C(Cl)C=CC=C1C[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577990	0	46	0.0	-40.54	378.42	10.78	-29.76
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=NC=C2S1	REAL300018577991	0	45	0.0	-41.16	381.17	9.51	-31.65
CC1=CC=CC2=NC=C(C[NH2+][C@H](COCC3=CC=CC=C3)CC(=O)[O-])N21	REAL300018577992	0	49	0.0	-44.78	382.27	10.58	-34.20
CC(CCC1=NNC2=CC=CC=C21)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577993	0	55	0.0	-50.64	432.43	10.28	-40.36
CCC([NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-])C1CC1(C)C	REAL300018577994	0	52	0.0	-34.09	384.50	10.39	-23.70
C=CCCCCCC(C)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577995	0	55	0.0	-37.37	418.30	11.28	-26.09
C=CCCCCC(C)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577996	0	52	0.0	-36.62	396.80	10.50	-26.12
CC1=CC(Cl)=CC(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])=C1	REAL300018577997	0	46	0.0	-50.23	386.82	10.73	-39.50
COCC1=CC=C(C[NH2+][C@H](COCC2=CC=CC=C2)CC(=O)[O-])C=C1	REAL300018577998	0	50	0.0	-39.79	404.10	9.49	-30.30
COCC(CC(C)(C)C)[NH2+][C@H](COCC1=CC=CC=C1)CC(=O)[O-]	REAL300018577999	0	55	0.0	-35.06	407.27	9.31	-25.75
O=C([O-])C[C@@H](COCC1=CC=CC=C1)[NH2+]CC1=CC2=CC=CC(F)=C2N=C1	REAL300018578000	0	48	0.0	-59.10	395.69	10.00	-49.10
CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1F	REAL300018579105	0	43	0.0	-78.40	357.75	11.63	-66.77
CC1(C)CCCCC1[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579106	0	49	0.0	-73.42	356.40	11.20	-62.22
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])CC2)C=C1	REAL300018579108	0	42	0.0	-72.88	367.55	12.00	-60.88
CC(C)=CCCC(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579109	0	49	0.0	-75.42	375.02	11.71	-63.71
CC1(C)CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC(C)(C)C1	REAL300018579110	0	55	0.0	-73.82	401.87	12.23	-61.59
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579111	0	53	0.0	-77.53	419.70	12.92	-64.61
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(Cl)=C1OC	REAL300018579112	0	48	0.0	-74.69	405.62	10.70	-63.99
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)CC2)C=C1	REAL300018579113	0	47	0.0	-83.92	397.63	13.40	-70.52
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=CC=C4S3)CC2)C=C1	REAL300018579114	0	43	0.0	-77.11	368.83	12.51	-64.60
CC(C)OC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579115	0	50	0.0	-82.03	395.26	11.48	-70.55
CCCCCCCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579116	0	62	0.0	-82.05	484.79	14.78	-67.27
CC(C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018579117	0	61	0.0	-78.51	463.74	15.14	-63.37
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1F	REAL300018579118	0	43	0.0	-85.50	353.17	11.34	-74.16
CC1CCC(C)C([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579119	0	49	0.0	-71.77	361.27	11.25	-60.52
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4NC=CC4=CC=C3)CC2)C=C1	REAL300018579120	0	44	0.0	-79.94	362.80	10.97	-68.97
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)CC2)C=C1	REAL300018579121	0	39	0.0	-96.35	343.32	10.45	-85.90
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3N3CCOCC3)CC2)C=C1	REAL300018579122	0	53	0.0	-73.11	415.48	10.50	-62.61
CC1CC(C)CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579123	0	49	0.0	-77.26	363.55	11.25	-66.01
CC(C)CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579124	0	52	0.0	-79.05	411.47	13.47	-65.58
CC1=CC=C(C2=CC=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=C2)C=C1	REAL300018579125	0	53	0.0	-82.76	422.06	14.72	-68.04
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC(C)=C1	REAL300018579126	0	46	0.0	-81.90	366.09	11.97	-69.93
COC1=CC=C(Br)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579127	0	44	0.0	-73.87	371.37	10.51	-63.36
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1[N+](=O)[O-]	REAL300018579128	0	46	0.0	-102.81	381.98	11.37	-91.44
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)CC2)C=C1	REAL300018579129	0	40	0.0	-85.54	359.92	11.65	-73.89
CC1=CC=CC(C)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579130	0	46	0.0	-78.31	363.44	11.85	-66.46
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579131	0	53	0.0	-83.39	419.37	14.73	-68.66
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(OC(F)F)=C3)CC2)C=C1	REAL300018579132	0	44	0.0	-87.96	362.53	10.23	-77.73
CCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OCC	REAL300018579133	0	54	0.0	-83.74	433.48	11.96	-71.78
CC(C)C1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579134	0	52	0.0	-75.99	380.75	12.19	-63.80
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)CC2)C=C1	REAL300018579135	0	43	0.0	-88.34	378.35	12.06	-76.28
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(F)C=C3Br)CC2)C=C1	REAL300018579136	0	40	0.0	-85.35	345.92	11.26	-74.09
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)CC2)C=C1	REAL300018579137	0	43	0.0	-90.50	366.08	9.73	-80.77
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=NC4=CC=CC=C34)CC2)C=C1	REAL300018579138	0	45	0.0	-90.02	362.24	10.92	-79.10
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)CC2)C=C1	REAL300018579139	0	44	0.0	-89.06	369.27	10.44	-78.62
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579140	0	46	0.0	-93.72	386.63	8.16	-85.56
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579141	0	54	0.0	-82.34	438.50	13.85	-68.49
CC(CCOCC1=CC=CC=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579142	0	53	0.0	-77.34	417.12	12.02	-65.32
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)CC2)C=C1	REAL300018579143	0	47	0.0	-80.78	390.49	13.05	-67.73
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)CC2)C=C1	REAL300018579144	0	50	0.0	-84.56	416.73	14.59	-69.97
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)CC2)C=C1	REAL300018579145	0	50	0.0	-84.26	417.39	14.56	-69.70
CC(C)CCCC(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579146	0	51	0.0	-74.74	383.75	11.79	-62.95
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C2=CC=CC=C12	REAL300018579147	0	50	0.0	-86.06	395.12	12.14	-73.92
CCC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579148	0	43	0.0	-75.54	366.30	11.54	-64.00
CN1C2=CC=CC=C2N=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579149	0	46	0.0	-83.80	373.05	11.02	-72.78
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4OCCC4=C3)CC2)C=C1	REAL300018579150	0	45	0.0	-87.51	359.16	10.49	-77.02
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(Br)=C3)CC2)C=C1	REAL300018579151	0	37	0.0	-81.77	338.10	10.32	-71.45
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3OCC3=CC=NC=C3)CC2)C=C1	REAL300018579152	0	53	0.0	-73.89	436.22	12.54	-61.35
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)CC2)C=C1	REAL300018579153	0	53	0.0	-78.05	429.41	12.22	-65.83
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)CC2)C=C1	REAL300018579154	0	51	0.0	-81.38	405.37	10.87	-70.51
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579155	0	48	0.0	-89.95	403.34	7.25	-82.70
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4C=CNC4=CC=C3)CC2)C=C1	REAL300018579156	0	44	0.0	-80.72	354.45	10.67	-70.05
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4C=CNC4=C3)CC2)C=C1	REAL300018579157	0	44	0.0	-81.75	357.81	10.66	-71.09
CC(CC1=CC=CS1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579158	0	43	0.0	-76.37	351.22	11.08	-65.29
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)CC2)C=C1	REAL300018579159	0	43	0.0	-85.85	370.99	10.05	-75.80
CC1=CC(F)=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579160	0	43	0.0	-81.73	352.67	11.65	-70.08
CC1(C)CCC2=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CC=C2O1	REAL300018579161	0	54	0.0	-83.72	417.05	12.46	-71.26
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579162	0	55	0.0	-76.43	403.04	13.56	-62.87
CN(C)C1=CC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579163	0	48	0.0	-77.85	374.49	10.64	-67.21
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)CC2)C=C1	REAL300018579164	0	49	0.0	-86.44	395.68	12.28	-74.16
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)CC2)C=C1	REAL300018579165	0	49	0.0	-89.53	392.69	12.30	-77.23
CN1CCN(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=C2)CC1	REAL300018579166	1	57	0.0	-79.56	440.04	9.48	-70.08
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579167	0	56	0.0	-80.22	431.29	8.20	-72.02
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)CC2)C=C1	REAL300018579168	0	49	0.0	-88.33	410.99	9.28	-79.05
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)CC2)C=C1	REAL300018579169	0	50	0.0	-77.85	388.98	8.69	-69.16
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(CC4=CC=C(Cl)C=C4)CC3)CC2)C=C1	REAL300018579170	0	55	0.0	-74.22	438.97	11.69	-62.53
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(CC4=CC=CC=C4Cl)CC3)CC2)C=C1	REAL300018579171	0	55	0.0	-73.80	437.64	11.62	-62.18
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)CC2)C=C1	REAL300018579172	0	54	0.0	-80.36	418.77	9.47	-70.89
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)CC2)C=C1	REAL300018579173	0	47	0.0	-92.37	388.51	11.92	-80.45
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)CC2)C=C1	REAL300018579174	0	47	0.0	-91.62	398.83	12.38	-79.24
CC(C)(C)N1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579175	0	49	0.0	-86.11	386.05	10.47	-75.64
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)CC2)C=C1	REAL300018579176	0	47	0.0	-84.96	396.86	11.32	-73.64
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(Cl)=CC=C3OC(F)F)CC2)C=C1	REAL300018579178	0	44	0.0	-79.29	385.65	11.07	-68.22
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CC=CC(Cl)=C4)S3)CC2)C=C1	REAL300018579179	0	47	0.0	-79.74	411.03	13.93	-65.81
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)CC2)C=C1	REAL300018579180	0	50	0.0	-90.37	408.25	9.16	-81.21
COC1=CC=CC(C2=NNC=C2C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579181	0	51	0.0	-88.77	408.50	9.88	-78.89
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)CC2)C=C1	REAL300018579182	0	50	0.0	-86.76	398.12	10.76	-76.00
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)CC2)C=C1	REAL300018579183	0	53	0.0	-86.80	436.41	12.29	-74.51
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)CC2)C=C1	REAL300018579184	0	53	0.0	-84.50	430.49	12.23	-72.27
CC(C)C1=NN(C)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579186	0	49	0.0	-86.81	388.49	10.28	-76.53
COCCOC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579187	0	51	0.0	-86.04	408.26	10.14	-75.90
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1Cl	REAL300018579188	0	44	0.0	-87.79	371.98	10.49	-77.30
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)CC2)C=C1	REAL300018579189	0	45	0.0	-75.76	391.70	9.89	-65.87
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)CC2)C=C1	REAL300018579190	0	48	0.0	-90.19	395.42	10.50	-79.69
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579191	0	52	0.0	-82.99	407.18	12.23	-70.76
COC1=NC=C(Br)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579192	0	43	0.0	-80.61	373.55	8.00	-72.61
COC1=NC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579193	0	43	0.0	-82.98	349.05	7.42	-75.56
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(Br)C=N3)CC2)C=C1	REAL300018579194	0	39	0.0	-79.12	342.74	9.42	-69.70
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(N4CCOCC4)S3)CC2)C=C1	REAL300018579195	0	49	0.0	-80.06	404.69	8.23	-71.83
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=NC=CC=C34)CC2)C=C1	REAL300018579196	0	45	0.0	-85.75	367.13	11.17	-74.58
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)CC2)C=C1	REAL300018579197	0	47	0.0	-88.04	394.20	11.34	-76.70
CC1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579198	0	39	0.0	-82.78	332.49	8.61	-74.17
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3OCCO4)CC2)C=C1	REAL300018579199	0	46	0.0	-78.91	369.38	9.83	-69.08
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3OCCCO4)CC2)C=C1	REAL300018579200	0	49	0.0	-79.65	387.78	10.70	-68.95
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)CC2)C=C1	REAL300018579201	0	47	0.0	-83.79	382.87	12.94	-70.85
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)CC2)C=C1	REAL300018579202	0	47	0.0	-84.18	380.65	12.83	-71.35
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)CC2)C=C1	REAL300018579203	0	48	0.0	-88.90	399.99	12.05	-76.85
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(N4CCOCC4)N=C3)CC2)C=C1	REAL300018579204	0	51	0.0	-87.48	407.25	9.26	-78.22
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579205	0	52	0.0	-85.91	417.47	13.02	-72.89
CCCOC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579206	0	50	0.0	-84.50	396.13	11.67	-72.83
CC(CN1C=NC=N1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579207	0	42	0.0	-73.55	344.46	10.88	-62.67
C#CCCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579208	0	49	0.0	-83.59	404.57	12.18	-71.41
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)CC2)C=C1	REAL300018579209	0	47	0.0	-80.53	392.50	13.22	-67.31
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(F)C(C4=CC=CS4)=C3)CC2)C=C1	REAL300018579210	0	47	0.0	-91.01	399.98	13.42	-77.59
CC1=C2C=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=NC2=NN1	REAL300018579211	0	45	0.0	-97.13	374.09	9.44	-87.69
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)CC2)C=C1	REAL300018579212	0	54	0.0	-83.18	420.38	12.82	-70.36
CCC1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579213	0	42	0.0	-82.77	353.97	9.36	-73.41
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)CC2)C=C1	REAL300018579214	0	46	0.0	-72.91	375.81	14.07	-58.84
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2=CC=CN=C2)=N1	REAL300018579215	0	49	0.0	-93.20	402.39	10.10	-83.10
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2=CC=NC=C2)=N1	REAL300018579216	0	49	0.0	-83.83	399.47	10.03	-73.80
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C4C=CC=CN34)CC2)C=C1	REAL300018579217	0	43	0.0	-90.90	353.29	11.08	-79.82
CN(C)C1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579218	0	44	0.0	-81.16	367.51	9.62	-71.54
CC(C)OC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579219	0	50	0.0	-83.09	394.86	11.51	-71.58
CC1=CC=C(C2=NC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CS2)C=C1	REAL300018579220	0	49	0.0	-74.71	417.69	12.43	-62.28
CC(C)C1=NC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CS1	REAL300018579221	0	45	0.0	-77.69	371.04	9.69	-68.00
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(C4CC4)=N3)CC2)C=C1	REAL300018579222	0	43	0.0	-72.40	367.89	10.19	-62.21
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(COC4=CC=CC=C4)=N3)CC2)C=C1	REAL300018579223	0	50	0.0	-80.89	419.70	10.96	-69.93
CCC1=NC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CS1	REAL300018579224	0	42	0.0	-77.75	351.32	9.12	-68.63
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579225	0	49	0.0	-79.76	394.48	12.95	-66.81
CC1=CC=CC(CCC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579226	0	52	0.0	-77.28	409.47	13.54	-63.74
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579227	0	52	0.0	-80.18	426.80	13.87	-66.31
CC1=CC=C(CCC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579228	0	52	0.0	-77.29	408.99	13.55	-63.74
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC(F)(F)CC3)CC2)C=C1	REAL300018579229	0	43	0.0	-83.01	341.13	10.26	-72.75
CC(C1=CC=CC=C1)N1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579230	0	55	0.0	-74.83	426.85	11.49	-63.34
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(CC4CC4)CC3)CC2)C=C1	REAL300018579231	1	52	0.0	-75.20	395.16	9.79	-65.41
CC(C)(C)C1=NC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CS1	REAL300018579232	0	48	0.0	-71.94	398.14	10.51	-61.43
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)CC2)C=C1	REAL300018579233	0	43	0.0	-74.34	387.32	10.69	-63.65
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)CC2)C=C1	REAL300018579234	0	47	0.0	-80.35	400.71	13.48	-66.87
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(C4=CC=C(F)C=C4F)CC3)CC2)C=C1	REAL300018579235	0	52	0.0	-79.24	407.73	11.12	-68.12
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=NC=CN=C4C=C3)CC2)C=C1	REAL300018579236	0	44	0.0	-88.34	362.49	9.05	-79.29
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3OC3CCCC3)CC2)C=C1	REAL300018579237	0	54	0.0	-75.76	421.58	12.99	-62.77
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)CC2)C=C1	REAL300018579238	0	43	0.0	-75.82	375.14	11.97	-63.85
CC(C)(C)C1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579239	0	48	0.0	-78.44	398.29	10.74	-67.70
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C(C)S1	REAL300018579241	0	43	0.0	-76.07	360.15	11.45	-64.62
CC1=CC=C(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)S2)C=C1	REAL300018579242	0	50	0.0	-79.36	420.27	14.38	-64.98
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC([N+](=O)[O-])=CC=C3OC(F)F)CC2)C=C1	REAL300018579243	0	46	0.0	-89.64	397.13	11.22	-78.42
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579244	0	44	0.0	-82.14	393.75	11.40	-70.74
C#CCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579245	0	46	0.0	-84.65	383.08	11.41	-73.24
CCOC1=C(OC)C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OC	REAL300018579246	0	55	0.0	-93.10	437.03	10.71	-82.39
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)CC2)C=C1	REAL300018579247	0	54	0.0	-75.87	417.16	9.42	-66.45
COCCCOC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579249	0	54	0.0	-86.76	429.80	10.74	-76.02
COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1SC	REAL300018579250	0	48	0.0	-86.74	395.36	10.98	-75.76
CCC(C)OC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1OC	REAL300018579251	0	57	0.0	-84.76	445.97	12.24	-72.52
C=C(C)COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1OC	REAL300018579252	0	55	0.0	-87.08	439.37	12.11	-74.97
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OCCC(C)C	REAL300018579253	0	60	0.0	-86.04	467.62	12.86	-73.18
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCN(CCN4CCOCC4)CC3)CC2)C=C1	REAL300018579254	0	61	0.0	-75.47	451.27	6.71	-68.76
CCOCC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1OC	REAL300018579255	0	54	0.0	-78.89	430.04	10.85	-68.04
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)CC2)C=C1	REAL300018579256	0	47	0.0	-87.43	390.43	10.85	-76.58
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579257	0	49	0.0	-83.76	409.23	11.87	-71.89
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579258	0	50	0.0	-85.97	427.56	9.29	-76.68
CCCC(CC1=CC=CC=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579259	0	52	0.0	-73.52	402.75	13.65	-59.87
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)CC2)C=C1	REAL300018579260	0	46	0.0	-89.04	383.93	10.75	-78.29
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)CC2)C=C1	REAL300018579261	0	46	0.0	-86.38	386.43	11.42	-74.96
CCN1N=C(C)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300018579262	0	49	0.0	-78.49	394.11	10.57	-67.92
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579263	0	52	0.0	-84.32	425.93	13.89	-70.43
C=CCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1Cl	REAL300018579264	0	48	0.0	-84.95	411.32	12.28	-72.67
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)CC2)C=C1	REAL300018579265	0	46	0.0	-84.54	390.82	11.68	-72.86
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579266	0	53	0.0	-78.91	418.00	11.70	-67.21
CC(C)CCC1CCCC1[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579267	0	55	0.0	-73.52	404.38	13.22	-60.30
CCCCC1CCCC1[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579268	0	52	0.0	-73.18	386.58	12.68	-60.50
COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C2OC(C)CC2=C1	REAL300018579269	0	52	0.0	-79.65	412.89	10.52	-69.13
CN1N=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C2=CC=CC=C21	REAL300018579270	0	46	0.0	-78.27	381.39	10.88	-67.39
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4C=CC=CC4=NN3)CC2)C=C1	REAL300018579271	0	43	0.0	-91.95	353.35	9.27	-82.68
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NNC4=CC=CC=C43)CC2)C=C1	REAL300018579271	1	43	0.0	-81.53	358.53	9.59	-71.94
CN(C)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1F	REAL300018579272	0	48	0.0	-88.20	387.52	10.18	-78.02
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC=CN3CC(F)(F)F)CC2)C=C1	REAL300018579273	0	43	0.0	-74.96	368.14	10.50	-64.46
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579275	0	55	0.0	-80.20	422.44	14.56	-65.64
CC1(C)CC2=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CC=C2O1	REAL300018579276	0	51	0.0	-82.08	408.44	12.16	-69.92
CC1=NSC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579277	0	39	0.0	-82.81	333.00	9.05	-73.76
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)CC2)C=C1	REAL300018579278	0	46	0.0	-77.34	388.10	9.39	-67.95
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)CC2)C=C1	REAL300018579279	0	43	0.0	-74.40	387.91	10.79	-63.61
CC(CC1=CSC=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579280	0	43	0.0	-73.80	354.09	11.16	-62.64
O=C([O-])C1=CC=C(C2(C[NH2+]CC3CCCCCCC3)CC2)C=C1	REAL300018579281	0	52	0.0	-76.44	375.48	12.01	-64.43
CC1=CSC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=N1	REAL300018579282	0	39	0.0	-83.07	329.85	8.38	-74.69
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579283	0	50	0.0	-87.68	405.77	11.23	-76.45
COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC(C(F)(F)F)=C1	REAL300018579284	0	47	0.0	-88.25	391.83	10.96	-77.29
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(Br)C=C3Cl)CC2)C=C1	REAL300018579285	0	40	0.0	-85.12	357.24	11.70	-73.42
CC(CSC(C)(C)C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579286	0	49	0.0	-75.52	382.00	11.38	-64.14
CN(C)C1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)N1C	REAL300018579287	0	48	0.0	-87.56	384.76	9.77	-77.79
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)CC2)C=C1	REAL300018579288	0	47	0.0	-80.31	390.36	11.27	-69.04
CC(C)COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579289	0	53	0.0	-81.97	418.89	12.36	-69.61
COCCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579290	0	51	0.0	-84.04	410.92	10.13	-73.91
COCC(CC(C)C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579291	0	49	0.0	-68.56	373.93	9.76	-58.80
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579292	0	49	0.0	-77.22	383.96	13.25	-63.97
CC1(C)CCCC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579293	0	52	0.0	-73.31	386.01	12.14	-61.17
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)CC2)C=C1	REAL300018579294	0	44	0.0	-84.70	386.31	11.04	-73.66
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579295	0	51	0.0	-79.84	389.41	11.67	-68.17
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4CCCC4=C3)CC2)C=C1	REAL300018579296	0	47	0.0	-79.77	371.99	12.55	-67.22
CC1=CC=CC=C1CC(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579297	0	49	0.0	-80.04	382.68	12.59	-67.45
CC1=CC=CC(CC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579298	0	49	0.0	-79.81	382.33	12.62	-67.19
COC1=CC2=C(C=C1C[NH2+]CC1(C3=CC=C(C(=O)[O-])C=C3)CC1)OCO2	REAL300018579299	0	47	0.0	-78.83	385.55	8.98	-69.85
COC1=CC(Cl)=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OC	REAL300018579300	0	48	0.0	-79.09	396.99	10.31	-68.78
COC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)SC=C1	REAL300018579301	0	41	0.0	-75.81	343.39	9.06	-66.75
CC(C)COC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579302	0	53	0.0	-84.19	416.23	12.37	-71.82
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)CC2)C=C1	REAL300018579303	0	46	0.0	-88.99	372.33	12.82	-76.17
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1CN1C=CC=N1	REAL300018579304	0	54	0.0	-82.33	438.68	11.62	-70.71
O=C([O-])C1=CC=C(C2(C[NH2+]CCC3CCOCC3)CC2)C=C1	REAL300018579305	0	47	0.0	-81.78	359.22	9.20	-72.58
O=C([O-])C1=CC=C(C2(C[NH2+]CC3CCSCC3)CC2)C=C1	REAL300018579306	0	44	0.0	-80.16	351.40	10.82	-69.34
CC(C)COC1=CC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579307	0	53	0.0	-77.02	417.61	12.51	-64.51
O=C([O-])C1=CC=C(C2(C[NH2+]CC3CCCCCC3)CC2)C=C1	REAL300018579308	0	49	0.0	-78.67	358.12	11.40	-67.27
CC1(C)CC2=CC=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=C2O1	REAL300018579309	0	51	0.0	-79.03	400.49	11.87	-67.16
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(Cl)C=NC=C3Cl)CC2)C=C1	REAL300018579310	0	39	0.0	-75.70	353.73	9.83	-65.87
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC4=C(CCCC4)S3)CC2)C=C1	REAL300018579311	0	46	0.0	-81.11	374.32	10.40	-70.71
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=NC=C3Br)CC2)C=C1	REAL300018579312	0	39	0.0	-85.47	334.96	9.41	-76.06
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=NC=C3Cl)CC2)C=C1	REAL300018579313	0	39	0.0	-86.09	331.36	9.32	-76.77
CC(C)(C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)N1CCOCC1	REAL300018579314	0	52	0.0	-80.29	378.88	7.70	-72.59
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(F)=CC(Br)=C3)CC2)C=C1	REAL300018579315	0	40	0.0	-86.52	354.16	11.32	-75.20
CCC([NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1CCCC1	REAL300018579316	0	49	0.0	-74.73	362.16	11.47	-63.26
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579317	0	46	0.0	-82.91	386.40	12.54	-70.37
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2=CC=CC=C2)=N1	REAL300018579318	0	50	0.0	-86.63	401.66	11.89	-74.74
CCC1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579319	0	44	0.0	-86.42	363.78	9.35	-77.07
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)CC2)C=C1	REAL300018579320	0	47	0.0	-84.37	389.44	12.12	-72.25
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3[N+](=O)[O-])CC2)C=C1	REAL300018579321	0	45	0.0	-98.18	381.80	12.23	-85.95
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=NC=C4C=C3)CC2)C=C1	REAL300018579322	0	45	0.0	-87.40	367.45	11.12	-76.28
CC1=C(Br)SC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579323	0	40	0.0	-77.81	362.94	11.40	-66.41
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=NNC=C43)CC2)C=C1	REAL300018579324	0	43	0.0	-91.92	349.39	9.35	-82.57
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=CNN=C43)CC2)C=C1	REAL300018579325	0	43	0.0	-80.54	349.55	9.33	-71.21
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C4CCCN34)CC2)C=C1	REAL300018579326	0	44	0.0	-89.14	349.28	10.23	-78.91
CS(=O)(=O)N1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579327	0	48	0.0	-82.77	384.08	6.59	-76.18
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(F)C=N3)CC2)C=C1	REAL300018579328	0	39	0.0	-79.82	327.83	8.89	-70.93
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)SC=N1	REAL300018579329	0	39	0.0	-79.28	335.35	8.72	-70.56
COC1=CC(F)=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579330	0	44	0.0	-84.45	362.36	10.01	-74.44
CC(CC1=CN=CC=N1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579331	0	44	0.0	-70.21	353.62	9.13	-61.08
CC(C)(C)C1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579332	0	50	0.0	-85.95	402.44	10.72	-75.23
COC1=CC=CC=C1N1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579333	0	56	0.0	-79.08	426.05	10.67	-68.41
CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(Cl)=C1	REAL300018579334	0	43	0.0	-80.66	357.36	11.76	-68.90
COC1=CC=C(OC(F)F)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579335	0	48	0.0	-78.13	398.39	9.83	-68.30
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)CC2)C=C1	REAL300018579336	0	44	0.0	-73.23	378.41	10.68	-62.55
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)CC2)C=C1	REAL300018579337	0	42	0.0	-98.41	367.12	11.68	-86.73
O=C([O-])C1=CC=C(C2(C[NH2+]CCC3=CC=CC(Cl)=C3)CC2)C=C1	REAL300018579338	0	43	0.0	-81.22	368.51	12.07	-69.15
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC3C3=CC=CC=C3)CC2)C=C1	REAL300018579339	0	50	0.0	-73.02	383.49	13.44	-59.58
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1OC1=CC=CN=C1	REAL300018579340	0	53	0.0	-84.80	431.87	12.50	-72.30
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)S2)C=C1	REAL300018579341	0	49	0.0	-84.45	412.21	12.35	-72.10
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)CC2)C=C1	REAL300018579342	0	45	0.0	-73.67	387.96	12.00	-61.67
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)CC2)C=C1	REAL300018579343	0	45	0.0	-70.09	380.22	11.56	-58.53
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)CC2)C=C1	REAL300018579344	0	45	0.0	-74.26	376.46	11.48	-62.78
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)CC2)C=C1	REAL300018579345	0	45	0.0	-74.92	377.66	11.56	-63.36
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)CC2)C=C1	REAL300018579346	0	45	0.0	-73.33	385.30	11.86	-61.47
CS(=O)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579347	0	45	0.0	-88.52	382.48	9.38	-79.14
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)CC2)C=C1	REAL300018579348	0	42	0.0	-96.63	364.17	11.76	-84.87
CC(C)CCN1C=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579349	0	53	0.0	-81.91	417.63	13.18	-68.73
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)CC2)C=C1	REAL300018579350	0	47	0.0	-79.77	406.18	13.02	-66.75
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)O1	REAL300018579351	0	50	0.0	-78.93	418.60	13.60	-65.33
CCC1=CC=C(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)O2)C=C1	REAL300018579352	0	53	0.0	-83.29	426.40	13.99	-69.30
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(OC(F)F)=C1	REAL300018579353	0	48	0.0	-86.84	390.63	9.57	-77.27
CCC1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CCO1	REAL300018579354	0	47	0.0	-74.56	362.81	9.36	-65.20
CC(C)C1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CCO1	REAL300018579355	0	50	0.0	-74.76	378.64	9.95	-64.81
CCN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2=CC=CC=C2)=N1	REAL300018579356	0	53	0.0	-86.60	423.18	12.75	-73.85
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4CCCCC4=C3)CC2)C=C1	REAL300018579357	0	50	0.0	-79.04	389.15	13.13	-65.91
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC(C4CCCCC4)CC3)CC2)C=C1	REAL300018579358	0	59	0.0	-76.71	422.23	13.65	-63.06
CC(C)CC(C)CC(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579359	0	54	0.0	-75.11	397.22	11.97	-63.14
CC1=CC=C(C(C)C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579360	0	49	0.0	-73.14	386.52	12.86	-60.28
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1C(C)(C)C	REAL300018579361	0	56	0.0	-81.54	427.12	12.62	-68.92
COCC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)O1	REAL300018579362	0	44	0.0	-83.50	359.59	8.66	-74.84
CC(C)(C)OC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579363	0	53	0.0	-81.05	405.28	11.81	-69.24
CC(C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1CCCCC1	REAL300018579364	0	52	0.0	-78.02	381.78	12.08	-65.94
NS(=O)(=O)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579365	0	45	0.0	-94.40	380.17	5.59	-88.81
CCC(CC)(CC)C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579366	0	51	0.0	-75.71	364.32	11.14	-64.57
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)CC2)C=C1	REAL300018579367	0	47	0.0	-72.94	381.80	12.78	-60.16
CCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1	REAL300018579368	0	50	0.0	-84.62	389.42	11.50	-73.12
COC1=CC(C)=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579369	0	47	0.0	-78.00	372.84	10.67	-67.33
O=C([O-])C1=CC=C(C2(C[NH2+]CC3CCC4=CC=CC=C4C3)CC2)C=C1	REAL300018579370	0	50	0.0	-79.17	390.56	13.36	-65.81
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579371	0	42	0.0	-86.64	364.93	9.73	-76.91
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)CC2)C=C1	REAL300018579372	0	50	0.0	-81.43	393.10	13.05	-68.38
CC1=NC(C)=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)O1	REAL300018579373	0	42	0.0	-85.75	340.39	6.77	-78.98
COCC1=CSC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579374	0	44	0.0	-76.79	376.55	9.75	-67.04
CCCC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579375	0	46	0.0	-76.59	381.54	12.10	-64.49
CC(C)N1C=CN=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579376	0	46	0.0	-82.16	371.88	10.73	-71.43
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=CC=C1[N+](=O)[O-]	REAL300018579377	0	45	0.0	-88.07	371.73	12.20	-75.87
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1Br	REAL300018579378	0	43	0.0	-84.13	365.93	11.82	-72.31
COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1Cl	REAL300018579379	0	44	0.0	-87.48	371.99	10.49	-76.99
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CS1	REAL300018579380	0	40	0.0	-79.25	338.31	10.39	-68.86
COC1=CC=CC(C)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579381	0	47	0.0	-75.37	371.62	10.52	-64.85
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4OC=CC4=CC=C3)CC2)C=C1	REAL300018579382	0	43	0.0	-82.86	350.62	10.97	-71.89
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)CC2)C=C1	REAL300018579383	0	47	0.0	-81.15	389.92	12.05	-69.10
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(C(F)(F)F)S3)CC2)C=C1	REAL300018579384	0	39	0.0	-90.71	351.86	9.06	-81.65
CCC1=NN(C)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579385	0	46	0.0	-87.09	367.21	9.76	-77.33
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN4CCCCC4=C3)CC2)C=C1	REAL300018579386	0	47	0.0	-72.99	376.04	10.30	-62.69
CCC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579387	0	46	0.0	-82.10	366.16	12.08	-70.02
COC1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579388	0	40	0.0	-84.46	343.30	6.26	-78.20
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)CC2)C=C1	REAL300018579389	0	44	0.0	-82.09	364.96	12.21	-69.88
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=C(C=N3)OCCO4)CC2)C=C1	REAL300018579390	0	45	0.0	-77.18	370.87	8.31	-68.87
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)CC2)C=C1	REAL300018579391	0	43	0.0	-83.04	374.59	11.87	-71.17
CC1=CC=CN2C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CN=C12	REAL300018579392	0	46	0.0	-90.58	374.74	11.67	-78.91
CCN1N=CN=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579393	0	42	0.0	-87.91	349.00	10.04	-77.87
CN1C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CN=C1Cl	REAL300018579394	0	40	0.0	-90.76	342.79	9.51	-81.25
CN1C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CN=C1Br	REAL300018579395	0	40	0.0	-90.73	347.09	9.53	-81.20
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)CC2)C=C1	REAL300018579396	0	46	0.0	-81.86	390.76	10.86	-71.00
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C(F)(F)F)=NN3)CC2)C=C1	REAL300018579397	0	40	0.0	-88.69	352.09	8.26	-80.43
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)CC2)C=C1	REAL300018579398	0	44	0.0	-88.39	361.66	10.66	-77.73
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)CC2)C=C1	REAL300018579399	0	44	0.0	-90.84	361.57	10.66	-80.18
CCOC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=N1	REAL300018579400	0	46	0.0	-76.26	380.47	8.55	-67.71
CC1=C(Cl)C=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579401	0	43	0.0	-84.10	355.94	11.63	-72.47
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=NC=C4S3)CC2)C=C1	REAL300018579402	0	42	0.0	-82.06	363.56	10.72	-71.34
CC1=CC=CC2=NC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)N21	REAL300018579403	0	46	0.0	-89.27	363.80	11.46	-77.81
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579404	0	52	0.0	-81.75	410.15	11.34	-70.41
CCC([NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1CC1(C)C	REAL300018579405	0	49	0.0	-70.88	361.59	11.26	-59.62
C=CCCCCCC(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579406	0	52	0.0	-75.22	400.49	12.61	-62.61
C=CCCCCC(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579407	0	49	0.0	-75.08	378.99	11.83	-63.25
CC1=CC(Cl)=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579408	0	43	0.0	-86.75	361.41	11.81	-74.94
COCC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579409	0	47	0.0	-81.87	385.33	10.51	-71.36
COCC(CC(C)(C)C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579410	0	52	0.0	-68.87	388.13	10.42	-58.45
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)CC2)C=C1	REAL300018579411	0	45	0.0	-86.87	378.44	11.36	-75.51
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC2=CC=CN=C12	REAL300018579412	0	48	0.0	-91.64	384.51	11.84	-79.80
CC(C)C1CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579413	0	52	0.0	-75.52	379.32	12.06	-63.46
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)SN=N1	REAL300018579414	0	38	0.0	-92.72	322.42	7.81	-84.91
CCCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1C	REAL300018579415	0	53	0.0	-82.42	419.38	12.41	-70.01
COC1=C(C)C=NC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300018579416	0	49	0.0	-77.91	393.91	9.77	-68.14
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579417	0	50	0.0	-80.01	400.33	12.28	-67.73
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCCC34CCCC4)CC2)C=C1	REAL300018579418	0	53	0.0	-73.07	381.00	12.45	-60.62
CCC1CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579419	0	49	0.0	-73.59	364.51	11.28	-62.31
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579420	0	43	0.0	-90.33	379.54	7.32	-83.01
NC1=C(F)C=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579421	0	42	0.0	-84.06	342.49	8.76	-75.30
CC1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CCN1CC1=CC=CC=C1	REAL300018579422	0	58	0.0	-77.60	440.57	11.97	-65.63
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579423	0	60	0.0	-72.18	457.96	14.19	-57.99
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579424	0	60	0.0	-74.98	473.46	14.03	-60.95
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C(F)F)C=C3)CC2)C=C1	REAL300018579425	0	43	0.0	-86.65	364.43	11.71	-74.94
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)CC2)C=C1	REAL300018579426	0	42	0.0	-89.11	370.44	8.90	-80.21
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3CCC4)CC2)C=C1	REAL300018579427	0	47	0.0	-76.63	375.24	12.74	-63.89
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C([N+](=O)[O-])=N1	REAL300018579428	0	42	0.0	-100.40	351.40	10.03	-90.37
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC(Cl)=CS3)CC2)C=C1	REAL300018579429	0	36	0.0	-88.21	325.04	8.21	-80.00
COC1=NSC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579430	0	40	0.0	-84.18	348.34	6.84	-77.34
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC=CC4=CC=CC=C43)CC2)C=C1	REAL300018579431	0	45	0.0	-80.38	369.18	11.25	-69.13
COC1=CC=CC(Cl)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579432	0	44	0.0	-71.52	368.66	10.41	-61.11
CC1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)N1C1=CC=CC=C1	REAL300018579433	0	50	0.0	-80.12	405.49	12.92	-67.20
CCCN1N=C(C)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300018579434	0	52	0.0	-81.62	416.64	11.36	-70.26
CCN(CC)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1F	REAL300018579435	0	54	0.0	-83.26	427.68	11.84	-71.42
CCOC1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C12CCCC2	REAL300018579436	0	54	0.0	-73.99	413.22	11.91	-62.08
COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C(SC)C=C1OC	REAL300018579437	0	52	0.0	-80.56	420.87	10.78	-69.78
CN(C)C1=CC=C(N2CCC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)CC2)C=C1	REAL300018579438	0	60	0.0	-79.25	451.14	11.47	-67.78
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579439	0	51	0.0	-76.35	406.55	13.31	-63.04
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC34CCCC4)CC2)C=C1	REAL300018579440	0	50	0.0	-74.17	364.09	12.12	-62.05
CCCC(C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1=CC=CC=C1	REAL300018579441	0	52	0.0	-82.33	402.48	13.28	-69.05
CC1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC(C2=CC=CC=C2)C1	REAL300018579442	0	56	0.0	-78.97	407.48	14.64	-64.33
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(C4CC4)O3)CC2)C=C1	REAL300018579443	0	43	0.0	-80.47	360.16	8.27	-72.20
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579444	0	50	0.0	-73.99	405.97	11.94	-62.05
CC(C)(C)C1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579445	0	49	0.0	-75.23	370.88	11.29	-63.94
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)CC2)C=C1	REAL300018579446	0	42	0.0	-85.42	363.87	10.18	-75.24
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)CC2)C=C1	REAL300018579447	0	44	0.0	-80.40	375.32	10.63	-69.77
COC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC2=CC=CC=C21	REAL300018579448	0	50	0.0	-87.43	397.75	12.25	-75.18
CCOC1=CN=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579449	0	46	0.0	-84.96	372.74	9.04	-75.92
CCOC1=CC(F)=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579450	0	47	0.0	-84.92	384.22	10.93	-73.99
COC1=CC=C(C(C)C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579451	0	50	0.0	-75.88	394.59	11.48	-64.40
CN1N=C(C2CC2)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579452	0	47	0.0	-84.83	383.35	10.57	-74.26
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4(CCCCC4)CC3)CC2)C=C1	REAL300018579454	0	56	0.0	-78.84	390.44	12.52	-66.32
CC([NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C(C)C1=CC=CC=C1	REAL300018579455	0	49	0.0	-77.51	380.77	12.42	-65.09
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)CC2)C=C1	REAL300018579456	0	48	0.0	-84.11	384.21	11.85	-72.26
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579457	0	55	0.0	-74.84	425.43	10.82	-64.02
COC1=CC=CC2=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=CC=C12	REAL300018579458	0	50	0.0	-85.54	395.87	12.13	-73.41
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=NN3CC3CC3)CC2)C=C1	REAL300018579459	0	47	0.0	-83.05	380.52	11.02	-72.03
CC(CCC1=CC=CN=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579460	0	48	0.0	-80.45	382.91	11.09	-69.36
CC(C)C1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579461	0	49	0.0	-78.84	386.67	12.56	-66.28
NS(=O)(=O)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)O1	REAL300018579462	0	42	0.0	-88.12	368.86	4.09	-84.03
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)CC2)C=C1	REAL300018579463	0	51	0.0	-80.98	405.26	13.66	-67.32
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4(CCOCC4)CC3)CC2)C=C1	REAL300018579464	0	54	0.0	-76.86	389.80	10.26	-66.60
COC1=CN=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300018579465	0	46	0.0	-84.29	365.06	8.80	-75.49
NC1=C(Cl)C=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579466	0	42	0.0	-82.62	351.40	9.24	-73.38
O=C([O-])C1=CC=C(C2(C[NH2+]CCC3=CC=C(F)C=C3Cl)CC2)C=C1	REAL300018579467	0	43	0.0	-79.89	371.93	12.03	-67.86
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CN=CC=C4O3)CC2)C=C1	REAL300018579468	0	42	0.0	-84.39	355.31	9.65	-74.74
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C(F)(F)F)S3)CC2)C=C1	REAL300018579469	0	40	0.0	-83.87	357.32	10.94	-72.93
CC1=C2C=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)NC2=CC=C1	REAL300018579470	0	47	0.0	-87.70	376.11	11.23	-76.47
CCOC1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579471	0	50	0.0	-75.81	383.54	10.35	-65.46
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CSC(C(F)(F)F)=C3)CC2)C=C1	REAL300018579472	0	40	0.0	-84.58	357.06	10.78	-73.80
CCCOC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1	REAL300018579473	0	53	0.0	-79.69	419.10	12.61	-67.08
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OC1CC1	REAL300018579474	0	52	0.0	-89.76	413.43	11.52	-78.24
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4(CCCC4)CC3)CC2)C=C1	REAL300018579475	0	53	0.0	-70.75	386.87	12.59	-58.16
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C(F)F)N=C3)CC2)C=C1	REAL300018579476	0	42	0.0	-91.00	351.29	9.76	-81.24
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4=CC=CC=C4CC3)CC2)C=C1	REAL300018579477	0	50	0.0	-73.35	382.09	12.88	-60.47
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC=C(Br)S3)CC2)C=C1	REAL300018579478	0	36	0.0	-85.78	329.75	8.52	-77.26
CCC1(C)CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579479	0	52	0.0	-73.39	377.93	11.52	-61.87
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC4=CC=CC=C4C3)CC2)C=C1	REAL300018579480	0	50	0.0	-77.03	379.98	12.71	-64.32
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C(F)F)=N1	REAL300018579481	0	43	0.0	-87.78	353.42	9.30	-78.48
CC([NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1CCCCCC1	REAL300018579482	0	52	0.0	-73.90	375.85	12.00	-61.90
CC([NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018579483	0	52	0.0	-78.12	408.42	13.03	-65.09
CCC1(CC)CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579484	0	55	0.0	-72.73	392.14	12.03	-60.70
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3CCOC4)CC2)C=C1	REAL300018579485	0	48	0.0	-81.43	378.21	10.93	-70.50
O=C([O-])C1=CC=C(C2(C[NH2+]CC3CC3C3=CC=C(F)C=C3)CC2)C=C1	REAL300018579486	0	47	0.0	-78.96	381.05	12.70	-66.26
CC(CC1=COC2=CC=CC=C12)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579487	0	49	0.0	-84.55	394.48	12.44	-72.11
NS(=O)(=O)C1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579488	0	45	0.0	-97.75	377.45	5.60	-92.15
CCCN1N=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579489	0	46	0.0	-87.92	362.49	9.92	-78.00
CC1=CC=C2C=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)NC2=C1	REAL300018579490	0	47	0.0	-88.19	376.53	11.25	-76.94
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4CCCN4N=C3)CC2)C=C1	REAL300018579491	0	44	0.0	-82.31	357.50	9.52	-72.79
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN4CCCC4=C3)CC2)C=C1	REAL300018579492	0	44	0.0	-74.09	357.98	9.48	-64.61
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC=C(C(F)(F)F)S3)CC2)C=C1	REAL300018579493	0	39	0.0	-88.65	348.62	8.96	-79.69
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)CC2)C=C1	REAL300018579494	0	44	0.0	-76.07	375.23	10.65	-65.42
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579495	0	48	0.0	-89.62	385.75	12.29	-77.33
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)CC2)C=C1	REAL300018579496	0	56	0.0	-76.63	416.27	13.94	-62.69
CC(C)C1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579497	0	49	0.0	-75.16	366.95	11.29	-63.87
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=CN=C4O3)CC2)C=C1	REAL300018579498	0	42	0.0	-84.90	349.10	8.11	-76.79
CC1=CC(C)=CC(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=C2)=C1	REAL300018579499	0	56	0.0	-82.93	447.29	15.52	-67.41
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)CC2)C=C1	REAL300018579500	0	50	0.0	-77.26	400.35	13.94	-63.32
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1N1C=NC=N1	REAL300018579501	0	49	0.0	-92.02	400.53	14.19	-77.83
CC1CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579502	0	49	0.0	-69.54	361.82	11.31	-58.23
CCC1CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579503	0	52	0.0	-74.66	378.72	11.80	-62.86
CC1(C)CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579504	0	52	0.0	-70.24	378.34	11.70	-58.54
CC(C)(C)C1CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC1	REAL300018579505	0	58	0.0	-69.67	411.31	12.78	-56.89
CC1CC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CCN1C	REAL300018579506	1	48	0.0	-75.07	356.66	7.89	-67.18
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)CC2)C=C1	REAL300018579507	0	43	0.0	-83.99	365.32	11.52	-72.47
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)CC2)C=C1	REAL300018579508	0	47	0.0	-86.03	390.30	11.18	-74.85
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)CC2)C=C1	REAL300018579509	0	47	0.0	-85.18	395.36	9.27	-75.91
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(Br)=C1	REAL300018579510	0	44	0.0	-83.82	369.01	10.49	-73.33
COCC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579511	0	47	0.0	-83.08	378.34	10.37	-72.71
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579512	0	50	0.0	-91.04	419.24	12.92	-78.12
CN(C)CC1=NC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CS1	REAL300018579513	0	47	0.0	-72.57	392.65	7.46	-65.11
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)CC2)C=C1	REAL300018579514	0	51	0.0	-86.91	426.53	14.73	-72.18
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C(OC(F)F)C=C1C	REAL300018579515	0	50	0.0	-80.29	403.43	11.49	-68.80
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579516	0	57	0.0	-82.49	421.64	11.84	-70.65
CC1=CC=C(CC[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579517	0	46	0.0	-79.83	373.19	12.23	-67.60
CCCCC(C)C(C)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579518	0	51	0.0	-75.05	381.22	11.65	-63.40
COC1=CC(C)=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OC	REAL300018579519	0	51	0.0	-83.11	404.56	10.73	-72.38
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3C3CC3)CC2)C=C1	REAL300018579520	0	47	0.0	-79.93	368.82	12.65	-67.28
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3[N+](=O)[O-])CC2)C=C1	REAL300018579521	0	42	0.0	-90.67	382.20	12.56	-78.11
CC1=C(Br)C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579522	0	40	0.0	-77.62	362.99	11.42	-66.20
O=C([O-])C1=CC=C(C2(C[NH2+]CCC3=CC=C(F)C=C3F)CC2)C=C1	REAL300018579523	0	43	0.0	-80.36	363.65	11.66	-68.70
CC1=CC(CC[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC(C)=C1	REAL300018579524	0	49	0.0	-80.17	390.11	12.75	-67.42
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)CC2)C=C1	REAL300018579525	0	47	0.0	-91.05	395.36	11.09	-79.96
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCCC3C3=CC=CC=C3Cl)CC2)C=C1	REAL300018579526	0	53	0.0	-73.82	418.95	13.97	-59.85
COC1=CC=C(CC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1OC	REAL300018579527	0	57	0.0	-87.67	441.74	11.86	-75.81
COC1=CC=C(N2C=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=N2)C=C1	REAL300018579528	0	51	0.0	-92.33	411.59	11.15	-81.18
CC(CCC1=CSC=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579529	0	46	0.0	-77.51	378.06	11.81	-65.70
COCCC1=CC=C(OCC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579530	0	57	0.0	-78.22	451.19	11.62	-66.60
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579531	0	50	0.0	-92.08	414.62	13.09	-78.99
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(F)C=NC=C3Br)CC2)C=C1	REAL300018579532	0	39	0.0	-78.70	341.97	9.40	-69.30
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)CC2)C=C1	REAL300018579533	0	53	0.0	-77.78	417.36	14.32	-63.46
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CNN=C3C3=CSC=C3)CC2)C=C1	REAL300018579534	0	44	0.0	-86.19	377.79	9.78	-76.41
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)CC2)C=C1	REAL300018579535	0	46	0.0	-90.17	382.64	8.88	-81.29
CC(CC1=CN(C)N=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579536	0	46	0.0	-75.50	363.97	9.70	-65.80
CN1N=CC2=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CN=C21	REAL300018579537	0	45	0.0	-96.40	367.58	9.78	-86.62
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579538	0	49	0.0	-76.73	399.66	12.98	-63.75
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579539	0	50	0.0	-68.39	415.80	13.34	-55.05
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579540	1	60	0.0	-76.78	452.54	12.83	-63.95
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579541	0	52	0.0	-86.49	422.13	13.74	-72.75
COCC(CC1CCOCC1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579542	0	54	0.0	-79.43	408.67	9.10	-70.33
CN1C=C(CCC[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579543	0	46	0.0	-78.96	374.93	10.22	-68.74
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)CC2)C=C1	REAL300018579544	0	50	0.0	-77.00	398.23	13.32	-63.68
CN1CCN(C2=NC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=N2)CC1	REAL300018579545	0	55	0.0	-88.80	433.64	9.07	-79.73
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC=C(C4=CC=C(Cl)C=C4)CC3)CC2)C=C1	REAL300018579546	0	51	0.0	-80.16	415.58	14.11	-66.05
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)CC2)C=C1	REAL300018579547	0	53	0.0	-84.78	429.65	12.43	-72.35
CC1CCC2=C(C1)SC(C[NH2+]CC1(C3=CC=C(C(=O)[O-])C=C3)CC1)=N2	REAL300018579548	0	49	0.0	-80.95	395.10	11.01	-69.94
CCC1=CN=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)S1	REAL300018579549	0	42	0.0	-82.54	351.46	9.37	-73.17
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(F)N=C3)CC2)C=C1	REAL300018579550	0	39	0.0	-94.94	324.53	8.81	-86.13
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3N3CCCCC3)CC2)C=C1	REAL300018579551	0	55	0.0	-73.64	425.48	13.02	-60.62
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4COCCC4C3)CC2)C=C1	REAL300018579552	0	51	0.0	-79.30	378.43	9.95	-69.35
CC1(C)CC2(CC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C2)CO1	REAL300018579553	0	51	0.0	-80.90	389.97	10.18	-70.72
CC1CC2(CC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C2)CO1	REAL300018579554	0	48	0.0	-79.74	369.40	9.54	-70.20
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCOC4=CC=CC=C4C3)CC2)C=C1	REAL300018579555	0	48	0.0	-79.39	371.41	10.89	-68.50
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCCC4=C(C=CS4)C3)CC2)C=C1	REAL300018579556	0	47	0.0	-77.64	372.59	11.88	-65.76
CN1C=NC2=CC=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=C21	REAL300018579557	0	46	0.0	-88.06	363.70	11.88	-76.18
COC1=CC=C(C)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579558	0	47	0.0	-77.99	375.30	10.83	-67.16
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NOC(C4CCC4)=C3)CC2)C=C1	REAL300018579559	0	46	0.0	-79.75	368.42	10.90	-68.85
CC1(C2=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=NO2)CC1	REAL300018579560	0	46	0.0	-79.95	370.86	10.80	-69.15
CCC1=CC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579561	0	46	0.0	-75.67	364.88	12.25	-63.42
CC1=CC(F)=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579562	0	43	0.0	-88.06	351.09	11.38	-76.68
CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1C	REAL300018579563	0	49	0.0	-77.93	376.08	12.37	-65.56
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579564	0	52	0.0	-71.73	381.24	13.36	-58.37
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C4CCCCCN34)CC2)C=C1	REAL300018579565	0	50	0.0	-90.00	379.35	11.04	-78.96
COC1=CC=C2SC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CC2=C1	REAL300018579566	0	47	0.0	-79.91	398.38	11.79	-68.12
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CON=C3C3CC3)CC2)C=C1	REAL300018579567	0	43	0.0	-85.54	359.58	10.57	-74.97
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)CC2)C=C1	REAL300018579568	0	46	0.0	-85.68	386.40	12.12	-73.56
CCN1CCC2=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=CC=C21	REAL300018579569	0	52	0.0	-84.41	402.58	11.27	-73.14
CC1(C)CC2(CO1)CCC([NH2+]CC1(C3=CC=C(C(=O)[O-])C=C3)CC1)CC2	REAL300018579570	0	57	0.0	-81.26	410.67	10.92	-70.34
CSC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1Cl	REAL300018579571	0	44	0.0	-88.35	381.68	12.10	-76.25
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1C1CC1	REAL300018579572	0	50	0.0	-79.49	392.88	13.26	-66.23
COC1=CC=CC2=C1CCCC([NH2+]CC1(C3=CC=C(C(=O)[O-])C=C3)CC1)C2	REAL300018579573	0	54	0.0	-79.55	407.95	12.09	-67.46
CCOC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=N1	REAL300018579574	0	46	0.0	-87.63	375.39	8.28	-79.35
CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1C1CC1	REAL300018579575	0	50	0.0	-82.50	389.71	13.27	-69.23
CC1=NN(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C(C)=C2)C=C1	REAL300018579576	0	53	0.0	-88.57	426.56	13.37	-75.20
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C(F)(F)C(F)(F)F)C=C3)CC2)C=C1	REAL300018579577	0	46	0.0	-87.68	397.14	12.51	-75.17
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579578	0	50	0.0	-91.84	413.62	12.96	-78.88
CC1=NN(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=C2)C=C1Cl	REAL300018579579	0	50	0.0	-90.46	427.18	13.07	-77.39
CC(C)CC1CCCC1[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579580	0	52	0.0	-74.74	387.80	12.06	-62.68
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=C(C4CCOCC4)O3)CC2)C=C1	REAL300018579581	0	50	0.0	-82.49	403.72	7.42	-75.07
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NOC(C4CC4)=C3)CC2)C=C1	REAL300018579582	0	43	0.0	-74.76	360.01	10.69	-64.07
CC1OC2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=C2C1C	REAL300018579583	0	51	0.0	-87.65	396.66	11.75	-75.90
CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OC(F)F	REAL300018579584	0	47	0.0	-82.14	385.78	10.96	-71.18
CC(C)C1=CC=C(O)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579585	0	50	0.0	-78.12	394.34	9.94	-68.18
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)NN=C1C(F)(F)F	REAL300018579586	0	43	0.0	-93.54	363.51	8.60	-84.94
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4(CCC4)CC3)CC2)C=C1	REAL300018579587	0	50	0.0	-76.90	368.74	11.67	-65.23
CC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1O	REAL300018579588	0	44	0.0	-78.05	362.12	8.82	-69.23
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC(C4CC4)=CS3)CC2)C=C1	REAL300018579589	0	43	0.0	-83.78	358.91	9.86	-73.92
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(CC4CC4)N=N3)CC2)C=C1	REAL300018579590	0	46	0.0	-81.56	375.32	9.55	-72.01
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4CCOC4=C3)CC2)C=C1	REAL300018579591	0	45	0.0	-84.40	362.30	10.48	-73.92
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC4=C(CCCC4)N3)CC2)C=C1	REAL300018579592	0	47	0.0	-82.76	373.98	9.99	-72.77
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4COCCC4=C3)CC2)C=C1	REAL300018579593	0	48	0.0	-85.17	377.01	10.74	-74.43
CC1=CC=CC(F)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579594	0	43	0.0	-79.16	348.76	11.17	-67.99
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3C3CCC3)CC2)C=C1	REAL300018579595	0	50	0.0	-77.28	390.83	13.42	-63.86
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2CCOCC2)=N1	REAL300018579596	0	54	0.0	-90.97	421.04	9.79	-81.18
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN=CC(C4=CC=CN=C4)=C3)CC2)C=C1	REAL300018579597	0	48	0.0	-89.05	390.74	10.48	-78.57
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC(COCC4=CC=CC=C4)C3)CC2)C=C1	REAL300018579598	0	54	0.0	-81.55	432.52	12.77	-68.78
CSC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579599	0	44	0.0	-85.17	363.49	11.66	-73.51
CC(C)(C)N1N=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579600	0	49	0.0	-86.18	376.45	9.97	-76.21
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)CC2)C=C1	REAL300018579601	0	47	0.0	-81.84	380.57	12.68	-69.16
CC(C)C1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)N(C)N=C1	REAL300018579602	0	49	0.0	-84.09	393.60	10.45	-73.64
CCC([NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1)C(C)CC1=CC=CC=C1	REAL300018579603	0	55	0.0	-75.12	409.29	13.68	-61.44
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(CC4CC4)S3)CC2)C=C1	REAL300018579604	0	47	0.0	-76.81	391.65	12.89	-63.92
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OC4CC4)C=C3)CC2)C=C1	REAL300018579605	0	48	0.0	-80.41	390.99	11.77	-68.64
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)CC2)C=C1	REAL300018579606	0	44	0.0	-87.23	374.83	10.46	-76.77
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(C(F)(F)C(F)(F)F)=C3)CC2)C=C1	REAL300018579607	0	46	0.0	-90.00	394.47	12.52	-77.48
CC1=NC=CN1C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1	REAL300018579608	0	53	0.0	-93.20	418.46	13.66	-79.54
CC1=C(C)N(C2=CC=C(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C=C2)C=N1	REAL300018579609	0	53	0.0	-90.02	428.56	14.38	-75.64
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)CC2)C=C1	REAL300018579610	0	54	0.0	-83.08	418.22	14.67	-68.41
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)OC2=CC=C(F)C=C12	REAL300018579612	0	46	0.0	-84.87	380.28	11.83	-73.04
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579613	0	46	0.0	-81.42	388.35	12.62	-68.80
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579614	0	50	0.0	-91.28	405.87	11.77	-79.51
CCCN1C=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=N1	REAL300018579615	0	46	0.0	-75.70	372.35	9.98	-65.72
CC(C)N1C=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=N1	REAL300018579616	0	46	0.0	-75.51	369.53	9.73	-65.78
CC(C)(C)C1=CN=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579617	0	51	0.0	-85.56	397.85	11.13	-74.43
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)CC2)C=C1	REAL300018579618	0	43	0.0	-78.96	368.73	9.71	-69.25
CN1C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=NC2=C1CCCC2	REAL300018579619	0	50	0.0	-79.38	389.37	11.34	-68.04
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C(F)(F)F)=N1	REAL300018579620	0	43	0.0	-90.11	359.97	9.42	-80.69
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CC=CC=C4C=N3)CC2)C=C1	REAL300018579621	0	45	0.0	-74.06	372.60	11.39	-62.67
COC1=NC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1C	REAL300018579622	0	46	0.0	-81.25	370.58	8.03	-73.22
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(C(F)F)=C3F)CC2)C=C1	REAL300018579623	0	43	0.0	-75.08	366.87	11.79	-63.29
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3COCC4)CC2)C=C1	REAL300018579624	0	48	0.0	-78.89	378.17	10.96	-67.93
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579625	0	47	0.0	-72.94	397.75	11.71	-61.23
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)CC2)C=C1	REAL300018579626	0	47	0.0	-92.92	385.06	10.65	-82.27
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=C(CCCC4)O3)CC2)C=C1	REAL300018579627	0	47	0.0	-77.22	375.31	11.74	-65.48
CCC(C)N1N=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579628	0	49	0.0	-89.65	384.58	10.41	-79.24
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(C4CCCCC4)N=C3)CC2)C=C1	REAL300018579629	0	53	0.0	-82.78	407.91	11.70	-71.08
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC4CCCCC4C3)CC2)C=C1	REAL300018579630	0	50	0.0	-76.28	370.25	11.84	-64.44
COC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=CC=C1C(C)(C)C	REAL300018579631	0	56	0.0	-78.64	420.79	12.49	-66.15
CN1C=C(Br)N=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579632	0	40	0.0	-84.80	344.63	9.49	-75.31
COC1=CC(C)=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579633	0	46	0.0	-87.26	365.57	7.96	-79.30
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NC4=CC=CC=C4S3)CC2)C=C1	REAL300018579634	0	42	0.0	-83.76	357.45	10.11	-73.65
COC1=CC=CC(C2CC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C2)=C1	REAL300018579635	0	51	0.0	-85.85	395.64	11.72	-74.13
CC1=NOC(C2CC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)C2)=N1	REAL300018579636	0	45	0.0	-86.14	360.67	8.06	-78.08
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC(C4CCOCC4)C3)CC2)C=C1	REAL300018579637	0	51	0.0	-77.78	390.62	10.51	-67.27
CCCN1C=NC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579638	0	46	0.0	-81.81	369.88	11.85	-69.96
O=C([O-])C1=CC=C(C2(C[NH2+]CC=CC3=CC=C4OCOC4=C3)CC2)C=C1	REAL300018579639	0	47	0.0	-88.50	387.38	10.74	-77.76
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)CC2)C=C1	REAL300018579640	0	53	0.0	-77.83	421.90	14.29	-63.54
COC1=CC=C(CC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1	REAL300018579641	0	53	0.0	-72.60	411.42	11.84	-60.76
CCC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=NN1CC	REAL300018579642	0	49	0.0	-80.72	382.61	10.56	-70.16
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C(F)(F)F)=CO1	REAL300018579643	0	43	0.0	-71.84	370.78	10.75	-61.09
CC(F)(F)C1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579644	0	46	0.0	-87.96	376.48	12.17	-75.79
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)CC2)C=C1	REAL300018579645	0	46	0.0	-90.86	386.20	11.43	-79.43
CN1C=C(C2=NNC=C2C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579646	0	47	0.0	-84.05	387.92	8.37	-75.68
COC1=CC=C(CCC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C)=C1	REAL300018579647	0	56	0.0	-79.44	432.65	12.65	-66.79
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC4CCCCCC4C3)CC2)C=C1	REAL300018579648	0	53	0.0	-76.19	379.39	12.18	-64.01
CC1CCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)CC2=CC=CC=C21	REAL300018579649	0	53	0.0	-75.30	398.74	13.23	-62.07
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)CC2)C=C1	REAL300018579650	0	47	0.0	-82.96	391.51	13.06	-69.90
CCOC1=CC(CCC(C)[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CC=C1O	REAL300018579651	0	57	0.0	-80.44	449.91	10.92	-69.52
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)CC2)C=C1	REAL300018579652	0	46	0.0	-81.05	388.70	13.56	-67.49
COC1=C(C)C(C)=C(OC)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300018579653	0	57	0.0	-76.19	438.84	11.29	-64.90
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3OC3CCCCC3)CC2)C=C1	REAL300018579654	0	57	0.0	-75.69	437.38	13.54	-62.15
C=CCC1=CC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579655	0	47	0.0	-82.45	370.33	12.51	-69.94
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)CC2)C=C1	REAL300018579656	0	60	0.0	-83.95	453.45	14.14	-69.81
COCC1=CC=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579657	0	47	0.0	-80.15	377.83	10.81	-69.34
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(SC(F)(F)F)=C3)CC2)C=C1	REAL300018579658	0	44	0.0	-89.30	379.67	12.10	-77.20
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4CCOCC4=C3)CC2)C=C1	REAL300018579659	0	48	0.0	-82.24	380.09	10.71	-71.53
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)SC2=CC(F)=CC=C12	REAL300018579660	0	46	0.0	-78.85	391.98	13.09	-65.76
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)CC2)C=C1	REAL300018579661	0	46	0.0	-93.11	381.07	8.81	-84.30
COC1=CC=C(F)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1OC	REAL300018579662	0	48	0.0	-76.16	390.80	9.92	-66.24
O=C([O-])C1=CC=C(C2(C[NH2+]CC=CC3=CC=NC=C3)CC2)C=C1	REAL300018579663	0	43	0.0	-84.56	356.88	10.30	-74.26
CCN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2CC2)=N1	REAL300018579664	0	50	0.0	-83.74	409.06	11.70	-72.04
CCC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)N=C1	REAL300018579665	0	45	0.0	-75.31	364.34	10.22	-65.09
COC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1OCCO	REAL300018579666	0	52	0.0	-89.15	418.42	7.67	-81.48
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2=CC=NN2C)=N1	REAL300018579667	0	50	0.0	-91.75	411.67	9.51	-82.24
CC(C)(C)C1=NOC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579668	0	48	0.0	-88.58	376.84	10.48	-78.10
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=CN=CC=C4C=C3)CC2)C=C1	REAL300018579669	0	45	0.0	-90.83	364.27	11.13	-79.70
CC1=CC2=CC=CC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=C2O1	REAL300018579670	0	46	0.0	-82.40	372.50	11.80	-70.60
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC(F)=C3C(F)(F)F)CC2)C=C1	REAL300018579671	0	43	0.0	-76.96	364.79	12.02	-64.94
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(F)C=CC=C3OCC(F)(F)F)CC2)C=C1	REAL300018579672	0	47	0.0	-73.89	401.61	11.41	-62.48
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CON=C3C3CCC3)CC2)C=C1	REAL300018579673	0	46	0.0	-90.20	367.97	10.73	-79.47
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)CC2)C=C1	REAL300018579674	0	43	0.0	-90.10	367.57	11.68	-78.42
CC(C)OC1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1F	REAL300018579675	0	50	0.0	-88.39	402.12	11.64	-76.75
CC1=NN(C2CCCC2)C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1	REAL300018579676	0	53	0.0	-88.61	414.71	11.68	-76.93
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=NN3CC(F)F)CC2)C=C1	REAL300018579677	0	43	0.0	-94.31	354.18	9.44	-84.87
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)CC2)C=C1	REAL300018579679	0	47	0.0	-88.47	388.51	11.93	-76.54
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN(C4CCC4)C=C3)CC2)C=C1	REAL300018579680	0	47	0.0	-75.67	372.56	10.22	-65.45
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN(CC(F)F)C=C3)CC2)C=C1	REAL300018579681	0	43	0.0	-78.60	368.43	9.79	-68.81
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)CC2)C=C1	REAL300018579682	0	44	0.0	-84.98	376.94	10.37	-74.61
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC4CCCC(C4)C3)CC2)C=C1	REAL300018579683	0	50	0.0	-73.61	364.57	11.54	-62.07
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=NN(C4CCCC4)C=C3)CC2)C=C1	REAL300018579684	0	50	0.0	-76.56	396.82	11.28	-65.28
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4OC=CC4=C(F)C=C3)CC2)C=C1	REAL300018579685	0	43	0.0	-88.47	357.04	11.04	-77.43
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C4OC=CC4=CC(Cl)=C3)CC2)C=C1	REAL300018579686	0	43	0.0	-77.24	375.10	11.75	-65.49
COC1=CC=CC(CN2CCC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)CC2)=C1	REAL300018579687	0	59	0.0	-75.00	451.69	10.46	-64.54
O=C([O-])C1=CC=C(C2(C[NH2+]CC=CC3=CC=CC=C3)CC2)C=C1	REAL300018579688	0	44	0.0	-79.71	361.87	12.07	-67.64
COC1=CC=C2SC(C[NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)=NC2=C1	REAL300018579689	0	46	0.0	-87.32	386.97	9.38	-77.94
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579690	0	46	0.0	-81.84	385.27	12.44	-69.40
CN1N=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1C1=CC=CO1	REAL300018579691	0	47	0.0	-82.96	384.90	9.97	-72.99
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)CC2)C=C1	REAL300018579692	0	43	0.0	-71.80	371.52	10.03	-61.77
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)CC2)C=C1	REAL300018579693	0	56	0.0	-79.30	432.11	14.59	-64.71
CC1=NN(C2CCC2)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579694	0	50	0.0	-81.67	399.27	11.34	-70.33
COC1=CC=CC=C1C=CC[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579695	0	48	0.0	-81.88	389.68	11.44	-70.44
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)CC2)C=C1	REAL300018579696	0	48	0.0	-91.28	392.46	10.99	-80.29
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579697	0	47	0.0	-90.59	394.75	10.21	-80.38
CC(C)(C)N1CCCC([NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C1	REAL300018579698	0	54	0.0	-73.74	389.59	9.13	-64.61
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)CC2)C=C1	REAL300018579699	0	53	0.0	-80.64	433.06	15.24	-65.40
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC(C4=CC=CC=C4)=CC=N3)CC2)C=C1	REAL300018579700	0	49	0.0	-75.78	401.04	12.56	-63.22
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579701	0	61	0.0	-79.33	458.58	13.27	-66.06
CC1=CC=C(C2CCC([NH2+]CC3(C4=CC=C(C(=O)[O-])C=C4)CC3)CC2)C=C1	REAL300018579702	0	56	0.0	-72.99	428.72	14.41	-58.58
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579703	0	51	0.0	-70.60	403.50	10.03	-60.57
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(CF)C=C3)CC2)C=C1	REAL300018579704	0	43	0.0	-82.22	358.25	11.60	-70.62
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(OC(F)(F)F)C(Cl)=C3)CC2)C=C1	REAL300018579705	0	44	0.0	-86.20	393.06	11.27	-74.93
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C4SC=CC4=C3)CC2)C=C1	REAL300018579706	0	43	0.0	-84.65	363.38	12.01	-72.64
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)CC2)C=C1	REAL300018579707	0	49	0.0	-84.59	400.24	12.43	-72.16
CC(CC1=CN(C)N=C1)[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579708	0	46	0.0	-75.50	363.97	9.70	-65.80
O=C([O-])C1=CC=C(C2(C[NH2+]C3CC4CC=CCC4C3)CC2)C=C1	REAL300018579709	0	48	0.0	-75.91	362.66	11.78	-64.13
CC1=CC=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C(F)(F)F	REAL300018579710	0	46	0.0	-77.83	367.09	12.17	-65.66
C=CCN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=N1	REAL300018579711	0	44	0.0	-78.07	368.59	10.19	-67.88
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC4=NNC=C4C=C3)CC2)C=C1	REAL300018579712	0	43	0.0	-84.20	357.69	9.67	-74.53
CCC(C)C1=CC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=C1	REAL300018579713	0	52	0.0	-79.17	408.94	13.37	-65.80
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC4(C3)CCOCC4)CC2)C=C1	REAL300018579714	0	51	0.0	-77.96	376.63	9.86	-68.10
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579715	0	53	0.0	-79.46	430.91	13.49	-65.97
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=CC4=C3CCCC4)CC2)C=C1	REAL300018579716	0	50	0.0	-77.24	386.78	13.33	-63.91
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579717	0	47	0.0	-86.14	386.91	12.62	-73.52
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)CC2)C=C1	REAL300018579718	0	46	0.0	-96.04	383.19	10.68	-85.36
CC1=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C=CC2=CC=CC=C21	REAL300018579719	0	49	0.0	-82.08	383.93	13.33	-68.75
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579720	0	58	0.0	-85.91	448.45	12.30	-73.61
COC1=C2C=CNC2=CC=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579721	0	48	0.0	-79.57	392.37	10.38	-69.19
O=C([O-])C1=CC=C(C2(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)CC2)C=C1	REAL300018579722	0	53	0.0	-81.55	417.87	7.79	-73.76
CCCN1N=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=C1C	REAL300018579723	0	49	0.0	-82.22	386.17	10.52	-71.70
CC1=CC(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)=CN=C1N1C=CC=N1	REAL300018579724	0	49	0.0	-93.87	395.41	11.98	-81.89
O=C([O-])C1=CC=C(C2(C[NH2+]C3CCC3CC3=CC=CC=C3)CC2)C=C1	REAL300018579725	0	50	0.0	-78.19	401.70	13.49	-64.70
CCCN1N=C(C)C=C1C[NH2+]CC1(C2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018579726	0	49	0.0	-86.74	386.96	10.51	-76.23
CN1C=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)C(C2CCC2)=N1	REAL300018579727	0	50	0.0	-83.02	402.64	11.39	-71.63
CC(C)(C)C1=NC=C(C[NH2+]CC2(C3=CC=C(C(=O)[O-])C=C3)CC2)O1	REAL300018579728	0	48	0.0	-80.02	390.64	8.46	-71.56
CC1=CC(C[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=NN1C	REAL300018579734	1	46	0.0	-81.76	378.78	8.81	-72.95
CC1=CC(C[NH2+]CC2=CC=C(OC(C)C(=O)[O-])C=C2)=NN1C	REAL300018579736	1	43	0.0	-78.80	352.56	7.86	-70.94
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2=NN(C)C(C)=C2)C=C1	REAL300018579737	1	43	0.0	-80.44	362.21	6.99	-73.45
CC1=CC(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)=NN1C	REAL300018579738	0	42	0.0	-65.08	332.57	7.14	-57.94
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)=NN1C	REAL300018579739	1	39	0.0	-73.32	332.06	8.05	-65.27
CC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C(Br)=C2)=NN1C	REAL300018579741	1	36	0.0	-78.03	319.88	7.47	-70.56
CC1=CC(C[NH2+]CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=NN1C	REAL300018579742	1	46	0.0	-70.28	382.92	8.59	-61.69
CC1=CC(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)=NN1C	REAL300018579743	1	36	0.0	-80.84	331.87	7.68	-73.16
CC1=CC(C[NH2+]CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=NN1C	REAL300018579750	1	39	0.0	-72.52	342.68	7.98	-64.54
CC1=CC(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC(Br)=C3)C2)=NN1C	REAL300018579752	0	43	0.0	-47.68	361.28	9.34	-38.34
CC1=CC(C[NH2+]CC2=CC(Br)=CC(C(=O)[O-])=C2)=NN1C	REAL300018579753	1	36	0.0	-71.52	324.92	7.59	-63.93
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300018579754	0	39	0.0	-81.80	331.62	11.74	-70.06
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])C=C2)=CC=C1Br	REAL300018579754	1	39	0.0	-81.76	331.67	11.74	-70.02
CC1=C(C(=O)[O-])C=C(C[N@@H+](C)CC2=CC=C(Br)C(C)=C2)O1	REAL300018579755	0	39	0.0	-71.05	334.35	10.84	-60.21
CC1=C(C(=O)[O-])C=C(C[N@H+](C)CC2=CC=C(Br)C(C)=C2)O1	REAL300018579755	1	39	0.0	-70.44	334.86	10.81	-59.63
CC1=CC(C[N@H+](C)CC2=C(C(=O)[O-])OC=C2)=CC=C1Br	REAL300018579756	0	36	0.0	-47.47	311.21	10.06	-37.41
CC1=CC(C[N@@H+](C)CC2=C(C(=O)[O-])OC=C2)=CC=C1Br	REAL300018579756	1	36	0.0	-47.30	311.53	10.03	-37.27
CC1=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=CO2)=CC=C1Br	REAL300018579757	0	36	0.0	-71.12	316.37	10.11	-61.01
CC1=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=CO2)=CC=C1Br	REAL300018579757	1	36	0.0	-70.73	315.26	10.02	-60.71
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300018579759	0	36	0.0	-71.58	316.11	10.37	-61.21
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300018579759	1	36	0.0	-71.91	315.08	10.27	-61.64
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300018579760	0	36	0.0	-71.58	316.11	10.37	-61.21
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])O2)=CC=C1Br	REAL300018579760	1	36	0.0	-71.91	315.08	10.27	-61.64
CC1=CC(C[N@H+](C)CCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300018579761	0	41	0.0	-63.12	327.55	10.56	-52.56
CC1=CC(C[N@@H+](C)CCC(C)(C)C(=O)[O-])=CC=C1Br	REAL300018579761	1	41	0.0	-63.17	327.56	10.58	-52.59
CC1=CC(C[N@H+](C)CC2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300018579762	0	39	0.0	-73.27	331.64	11.74	-61.53
CC1=CC(C[N@@H+](C)CC2=CC=CC(C(=O)[O-])=C2)=CC=C1Br	REAL300018579762	1	39	0.0	-74.02	331.63	11.74	-62.28
CC1=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=NN2)=CC=C1Br	REAL300018579763	1	36	0.0	-79.95	314.20	8.18	-71.77
CC1=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=NN2)=CC=C1Br	REAL300018579763	1	36	0.0	-80.53	313.91	8.33	-72.20
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+](C)CC1=CC=C(Br)C(C)=C1	REAL300018579764	0	48	0.0	-74.15	391.82	11.27	-62.88
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+](C)CC1=CC=C(Br)C(C)=C1	REAL300018579764	1	48	0.0	-74.05	391.43	11.26	-62.79
CC1=CC(C[N@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Br	REAL300018579765	0	43	0.0	-79.74	362.69	12.02	-67.72
CC1=CC(C[N@@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Br	REAL300018579765	1	43	0.0	-79.68	362.74	12.02	-67.66
CC1=CC(C[N@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Br	REAL300018579766	0	43	0.0	-79.74	362.69	12.02	-67.72
CC1=CC(C[N@@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=CC=C1Br	REAL300018579766	1	43	0.0	-79.68	362.74	12.02	-67.66
CC1=CC(C[N@H+](C)CC2=CSC(C(=O)[O-])=C2)=CC=C1Br	REAL300018579767	0	36	0.0	-72.05	322.54	10.85	-61.20
CC1=CC(C[N@@H+](C)CC2=CSC(C(=O)[O-])=C2)=CC=C1Br	REAL300018579767	1	36	0.0	-72.30	322.52	10.85	-61.45
CC1=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=NO2)=CC=C1Br	REAL300018579768	1	35	0.0	-77.90	310.58	9.37	-68.53
CC1=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=NO2)=CC=C1Br	REAL300018579768	1	35	0.0	-77.64	309.58	9.32	-68.32
CC1=CC(C[N@@H+](C)CC2=CC=CC(C(=O)[O-])=N2)=CC=C1Br	REAL300018579769	0	38	0.0	-72.41	328.10	9.90	-62.51
CC1=CC(C[N@H+](C)CC2=CC=CC(C(=O)[O-])=N2)=CC=C1Br	REAL300018579769	1	38	0.0	-71.50	328.12	10.26	-61.24
CC1=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=NO2)=CC=C1Br	REAL300018579770	1	35	0.0	-77.90	310.58	9.37	-68.53
CC1=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=NO2)=CC=C1Br	REAL300018579770	1	35	0.0	-77.64	309.58	9.32	-68.32
CC1=CC(C[N@@H+](C)CC2=CC=C(OC(C)C(=O)[O-])C=C2)=CC=C1Br	REAL300018579771	0	46	0.0	-80.21	380.62	12.61	-67.60
CC1=CC(C[N@H+](C)CC2=CC=C(OC(C)C(=O)[O-])C=C2)=CC=C1Br	REAL300018579771	1	46	0.0	-80.56	380.64	12.62	-67.94
CC1=CC(C[N@H+](C)CC2=CC=C(C=CC(=O)[O-])O2)=CC=C1Br	REAL300018579772	0	40	0.0	-82.13	350.60	9.98	-72.15
CC1=CC(C[N@@H+](C)CC2=CC=C(C=CC(=O)[O-])O2)=CC=C1Br	REAL300018579772	1	40	0.0	-82.70	349.51	9.87	-72.83
CC1=C(C[N@@H+](C)CC2=CC=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300018579773	0	39	0.0	-75.13	335.25	10.94	-64.19
CC1=C(C[N@H+](C)CC2=CC=C(Br)C(C)=C2)C=C(C(=O)[O-])O1	REAL300018579773	1	39	0.0	-75.58	336.17	10.93	-64.65
CC1=C(C(=O)[O-])OC(C[N@@H+](C)CC2=CC=C(Br)C(C)=C2)=C1	REAL300018579774	0	39	0.0	-71.86	334.07	10.96	-60.90
CC1=C(C(=O)[O-])OC(C[N@H+](C)CC2=CC=C(Br)C(C)=C2)=C1	REAL300018579774	1	39	0.0	-72.26	332.99	10.86	-61.40
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Br	REAL300018579775	0	39	0.0	-81.16	344.14	12.15	-69.01
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])C(Cl)=C2)=CC=C1Br	REAL300018579775	1	39	0.0	-81.15	344.18	12.15	-69.00
CC1=CC(C[N@@H+](C)CC2=CN(C)N=C2C(=O)[O-])=CC=C1Br	REAL300018579776	0	39	0.0	-56.29	333.71	9.58	-46.71
CC1=CC(C[N@H+](C)CC2=CN(C)N=C2C(=O)[O-])=CC=C1Br	REAL300018579776	1	39	0.0	-56.44	333.35	9.59	-46.85
CCC1=C(C(=O)[O-])C=C(C[N@H+](C)CC2=CC=C(Br)C(C)=C2)O1	REAL300018579777	0	42	0.0	-70.75	354.74	11.53	-59.22
CCC1=C(C(=O)[O-])C=C(C[N@@H+](C)CC2=CC=C(Br)C(C)=C2)O1	REAL300018579777	1	42	0.0	-71.48	355.82	11.62	-59.86
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])C=N2)=CC=C1Br	REAL300018579778	0	38	0.0	-73.02	327.41	9.89	-63.13
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])C=N2)=CC=C1Br	REAL300018579778	1	38	0.0	-72.91	327.40	10.27	-62.64
CC1=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=NN2C)=CC=C1Br	REAL300018579779	1	39	0.0	-84.35	334.62	9.40	-74.95
CC1=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=NN2C)=CC=C1Br	REAL300018579779	1	39	0.0	-85.37	328.26	9.30	-76.07
CC1=CC(C[N@H+](C)CC2=CC=C(CCC(=O)[O-])O2)=CC=C1Br	REAL300018579780	0	42	0.0	-71.47	358.11	11.75	-59.72
CC1=CC(C[N@@H+](C)CC2=CC=C(CCC(=O)[O-])O2)=CC=C1Br	REAL300018579780	1	42	0.0	-71.71	357.03	11.65	-60.06
CC1=CC(C[N@@H+](C)CC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Br	REAL300018579781	0	39	0.0	-79.81	336.18	11.77	-68.04
CC1=CC(C[N@H+](C)CC2=CC=C(F)C(C(=O)[O-])=C2)=CC=C1Br	REAL300018579781	1	39	0.0	-79.81	336.23	11.76	-68.05
CC1=CC(C[N@@H+](C)CC2=CN3N=CC(C(=O)[O-])=C3N=C2)=CC=C1Br	REAL300018579782	1	41	0.0	-100.62	355.11	10.66	-89.96
CC1=CC(C[N@H+](C)CC2=CN3N=CC(C(=O)[O-])=C3N=C2)=CC=C1Br	REAL300018579782	1	41	0.0	-100.44	353.55	10.56	-89.88
CC1=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])N=C2)=CC=C1Br	REAL300018579783	0	38	0.0	-84.67	327.48	9.95	-74.72
CC1=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])N=C2)=CC=C1Br	REAL300018579783	1	38	0.0	-84.63	327.38	9.89	-74.74
CC1=CC(C[N@H+](C)CC2=CN=C3C=CC(C(=O)[O-])=CN23)=CC=C1Br	REAL300018579785	0	42	0.0	-64.44	354.35	12.02	-52.42
CC1=CC(C[N@@H+](C)CC2=CN=C3C=CC(C(=O)[O-])=CN23)=CC=C1Br	REAL300018579785	1	42	0.0	-65.01	359.58	12.10	-52.91
CC1=CC(C[N@@H+](C)CC2=CN=C(C(=O)[O-])C=C2C)=CC=C1Br	REAL300018579786	0	41	0.0	-85.84	344.04	10.55	-75.29
CC1=CC(C[N@H+](C)CC2=CN=C(C(=O)[O-])C=C2C)=CC=C1Br	REAL300018579786	1	41	0.0	-84.92	343.89	10.56	-74.36
CC1=CC(C[N@H+](C)C[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300018579787	0	42	0.0	-70.09	336.82	11.47	-58.62
CC1=CC(C[N@@H+](C)C[C@H]2CC[C@@H](C(=O)[O-])C2)=CC=C1Br	REAL300018579787	1	42	0.0	-68.83	336.05	11.47	-57.36
CC1=CC(C[N@@H+](C)CC2=CC=CN3C(C(=O)[O-])=CN=C23)=CC=C1Br	REAL300018579788	0	42	0.0	-82.50	357.98	11.48	-71.02
CC1=CC(C[N@H+](C)CC2=CC=CN3C(C(=O)[O-])=CN=C23)=CC=C1Br	REAL300018579788	1	42	0.0	-82.23	354.81	11.40	-70.83
CC1=CC(C[N@H+](C)CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300018579790	1	46	0.0	-82.12	370.52	11.32	-70.80
CC1=CC(C[N@@H+](C)CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)=CC=C1Br	REAL300018579790	1	46	0.0	-82.76	380.48	11.64	-71.12
CC1=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=CC=C2O)=CC=C1Br	REAL300018579791	0	40	0.0	-69.42	340.94	9.19	-60.23
CC1=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=CC=C2O)=CC=C1Br	REAL300018579791	1	40	0.0	-69.52	340.80	9.18	-60.34
COC1CC[N@H+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018579792	0	41	0.0	-60.94	332.60	9.76	-51.18
COC1CC[N@@H+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018579792	1	41	0.0	-60.38	331.25	9.74	-50.64
COC1CC[N@H+](CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018579793	0	48	0.0	-64.96	382.99	10.43	-54.53
COC1CC[N@@H+](CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018579793	1	48	0.0	-65.09	385.50	10.62	-54.47
COC1CC[N@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018579794	0	41	0.0	-75.86	336.33	9.08	-66.78
COC1CC[N@@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018579794	1	41	0.0	-75.11	334.95	9.01	-66.10
COC1CC[N@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018579795	0	41	0.0	-75.86	336.33	9.08	-66.78
COC1CC[N@@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018579795	1	41	0.0	-75.11	334.95	9.01	-66.10
COC1CC[N@H+](CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018579796	0	41	0.0	-55.38	332.21	8.44	-46.94
COC1CC[N@@H+](CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018579796	1	41	0.0	-49.28	331.50	8.43	-40.85
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+]2CCC(OC)C2)C=C1	REAL300018579797	0	41	0.0	-70.33	334.14	7.19	-63.14
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+]2CCC(OC)C2)C=C1	REAL300018579797	1	41	0.0	-69.53	334.66	7.23	-62.30
COC1CC[N@H+](CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018579798	0	37	0.0	-62.49	302.68	8.09	-54.40
COC1CC[N@@H+](CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018579798	1	37	0.0	-66.76	301.49	8.01	-58.75
COC1CC[N@H+](CC2=CC(C)=CC(Br)=C2OCC(=O)[O-])C1	REAL300018579799	1	41	0.0	-49.59	345.40	8.73	-40.86
COC1CC[N@@H+](CC2=CC(C)=CC(Br)=C2OCC(=O)[O-])C1	REAL300018579799	1	41	0.0	-52.75	342.30	8.85	-43.90
COC1CC[N@H+](CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018579800	1	34	0.0	-69.70	287.96	7.50	-62.20
COC1CC[N@@H+](CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018579800	1	34	0.0	-71.45	290.66	7.65	-63.80
COC1CC[N@H+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018579801	0	44	0.0	-67.42	350.01	8.73	-58.69
COC1CC[N@@H+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018579801	1	44	0.0	-65.23	355.14	8.83	-56.40
COC1CC[N@H+](CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])C1	REAL300018579802	1	41	0.0	-49.74	340.01	8.66	-41.08
COC1CC[N@@H+](CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])C1	REAL300018579802	1	41	0.0	-46.70	329.40	8.46	-38.24
COC1CC[N@H+](CC2=CC=CC(C(=O)[O-])=C2Br)C1	REAL300018579804	0	34	0.0	-59.51	286.46	7.58	-51.93
COC1CC[N@@H+](CC2=CC=CC(C(=O)[O-])=C2Br)C1	REAL300018579804	1	34	0.0	-61.66	285.84	7.58	-54.08
COC1CC[N@H+](CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300018579805	0	37	0.0	-65.50	313.47	8.17	-57.33
COC1CC[N@@H+](CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C1	REAL300018579805	1	37	0.0	-63.73	311.59	8.04	-55.69
COC1CC[N@H+](CC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300018579807	1	34	0.0	-61.38	292.99	7.60	-53.78
COC1CC[N@@H+](CC2=CC(Br)=CC(C(=O)[O-])=C2)C1	REAL300018579807	1	34	0.0	-62.11	296.20	7.76	-54.35
CCCC=CC[NH2+]CC1=CC=CC=C1OCC1=CC=C(C(=O)[O-])C=C1	REAL300018579808	0	50	0.0	-68.91	408.35	12.14	-56.77
CCCC=CC[NH2+]CC1=C2C=C(C(=O)[O-])OC2=C(OC)C=C1	REAL300018579809	0	43	0.0	-75.60	357.01	8.78	-66.82
CCCC=CC[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018579810	0	39	0.0	-73.78	326.85	9.83	-63.95
CCCC=CC[NH2+]CC1=CC(C)=CC(Br)=C1OCC(=O)[O-]	REAL300018579811	0	43	0.0	-54.11	370.84	10.45	-43.66
CCCC=CC[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018579812	0	36	0.0	-76.50	314.68	9.26	-67.24
CCCC=CC[NH2+]CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018579813	0	46	0.0	-68.63	377.73	10.38	-58.25
CCCC=CC[NH2+]CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018579814	0	43	0.0	-47.02	362.78	10.20	-36.82
CCCC=CC[NH2+]CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12	REAL300018579815	0	39	0.0	-63.25	346.58	9.76	-53.49
CCCC=CC[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018579816	0	36	0.0	-64.64	309.71	9.19	-55.45
CCCC=CC[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018579817	0	39	0.0	-69.47	337.13	9.75	-59.72
CCCC=CC[NH2+]CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12	REAL300018579818	0	39	0.0	-86.07	346.66	9.97	-76.10
CCCC=CC[NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1	REAL300018579819	0	43	0.0	-40.01	356.08	11.13	-28.88
CCCC=CC[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018579820	0	36	0.0	-68.10	319.72	9.38	-58.72
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C=C1	REAL300018579821	1	43	0.0	-79.10	372.30	12.95	-66.15
O=C([O-])CN1CCC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)CC1	REAL300018579824	0	48	0.0	-66.25	386.32	10.32	-55.93
O=C([O-])C[NH+]1CCC(NC(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)CC1	REAL300018579824	1	48	0.0	-35.17	385.78	11.33	-23.84
O=C([O-])C1CCC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)CC1	REAL300018579826	0	46	0.0	-59.76	363.53	12.46	-47.30
CC(C)(CC[NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F)C(=O)[O-]	REAL300018579830	0	45	0.0	-60.51	367.26	11.72	-48.79
O=C([O-])C1CCC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)CC1	REAL300018579831	0	46	0.0	-59.76	363.53	12.46	-47.30
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)=C1	REAL300018579832	1	43	0.0	-71.91	372.28	12.94	-58.97
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C=C1	REAL300018579834	1	47	0.0	-78.26	404.25	13.28	-64.98
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C=C1	REAL300018579835	1	47	0.0	-78.26	404.25	13.28	-64.98
O=C([O-])C1=CC(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)=CS1	REAL300018579836	1	40	0.0	-68.26	362.83	12.00	-56.26
O=C([O-])CC1CCC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)CC1	REAL300018579837	0	49	0.0	-66.49	381.91	13.12	-53.37
CC([NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F)C1CC1C(=O)[O-]	REAL300018579841	0	43	0.0	-59.34	360.57	11.96	-47.38
O=C([O-])CC1CC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C1	REAL300018579842	0	43	0.0	-65.79	359.56	11.88	-53.91
CC1CC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)CCC1C(=O)[O-]	REAL300018579843	0	49	0.0	-57.94	382.05	13.14	-44.80
O=C([O-])C(F)(F)C1CCC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C1	REAL300018579845	0	46	0.0	-66.46	388.13	12.86	-53.60
CC(CC(C)(C)CC(=O)[O-])[NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F	REAL300018579848	0	51	0.0	-56.93	385.01	13.04	-43.89
CC1C(CC(=O)[O-])CCC1[NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F	REAL300018579849	0	49	0.0	-68.81	390.71	13.54	-55.27
CC1(C(=O)[O-])CC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C1	REAL300018579850	0	43	0.0	-56.77	359.50	11.65	-45.12
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F	REAL300018579853	0	54	0.0	-70.87	426.83	14.03	-56.84
O=C([O-])C1=CC(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)=CC=C1F	REAL300018579857	1	43	0.0	-75.55	377.74	13.03	-62.52
O=C([O-])CCC1CC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C1	REAL300018579858	0	46	0.0	-67.97	384.56	12.90	-55.07
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C=N1	REAL300018579859	1	42	0.0	-81.27	367.88	11.15	-70.12
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1F	REAL300018579860	1	45	0.0	-90.05	381.05	11.58	-78.47
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)C1	REAL300018579861	0	46	0.0	-71.93	375.52	12.56	-59.37
O=C([O-])C1=CC=C(O)C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2F)=C1	REAL300018579862	0	44	0.0	-68.57	375.12	10.47	-58.10
CC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])C=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579863	0	46	0.0	-81.37	389.66	13.63	-67.74
CC1=C(C(=O)[O-])C=C(C[NH2+]C(C2=CC=C(C)C=C2)C2=CC=C(Cl)C=C2)O1	REAL300018579864	1	46	0.0	-69.20	390.67	12.60	-56.60
CC1=CC=C(C([NH2+]CC2=C(C(=O)[O-])OC=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579865	1	43	0.0	-48.73	360.00	11.66	-37.07
CC1=CC=C(C([NH2+]C2CCN(CC(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579866	0	51	0.0	-66.94	401.85	10.83	-56.11
CC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=CO2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579867	1	43	0.0	-69.81	372.60	11.88	-57.93
CC1=CC=C(C([NH2+]C2CCC(C(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579868	0	49	0.0	-58.29	380.93	13.16	-45.13
CC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579870	1	43	0.0	-73.08	372.43	12.13	-60.95
CC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579871	1	43	0.0	-73.08	372.43	12.13	-60.95
CC1=CC=C(C([NH2+]CCC(C)(C)C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018579872	0	48	0.0	-63.09	385.11	12.42	-50.67
CC1=CC=C(C([NH2+]C2CCC(C(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579873	0	49	0.0	-58.29	380.93	13.16	-45.13
CC1=CC=C(C([NH2+]CC2=CC=CC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579874	0	46	0.0	-76.05	389.58	13.62	-62.43
CC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=NN2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579875	1	43	0.0	-78.30	371.03	10.06	-68.24
CC1=CC=C(C([NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579876	0	50	0.0	-80.01	420.72	13.90	-66.11
CC1=CC=C(C([NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579877	0	50	0.0	-80.01	420.72	13.90	-66.11
CC1=CC=C(C([NH2+]CC2=CSC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579878	0	43	0.0	-73.57	380.08	12.68	-60.89
CC1=CC=C(C([NH2+]C2CCC(CC(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579879	0	52	0.0	-63.38	399.32	13.82	-49.56
CC1=CC=C(C([NH2+]CC2=CC=CC(C(=O)[O-])=N2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579881	1	45	0.0	-74.75	385.38	11.79	-62.96
CC1=CC=C(C([NH2+]C(C)C2CC2C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018579883	0	46	0.0	-52.52	368.96	12.39	-40.13
CC1=CC=C(C([NH2+]C2CC(CC(=O)[O-])C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579884	0	46	0.0	-63.96	376.92	12.58	-51.38
CC1=CC=C(C([NH2+]C2CCC(C(=O)[O-])C(C)C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018579885	0	52	0.0	-72.07	398.85	13.24	-58.83
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CC1=CC=CC=C1C([NH2+]CC1=CC=C(C=CC(=O)[O-])O1)C1=CC=C(Cl)C=C1	REAL300018579929	1	47	0.0	-82.88	395.68	11.33	-71.55
CC1=CC=CC=C1C([NH2+]C1CCC(C(F)(F)C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018579930	0	49	0.0	-63.00	391.22	12.93	-50.07
CC1=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2C)C=C(C(=O)[O-])O1	REAL300018579931	1	46	0.0	-70.62	379.44	12.30	-58.32
CC1=C(C(=O)[O-])OC(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2C)=C1	REAL300018579932	1	46	0.0	-70.99	379.18	12.33	-58.66
CC1=CC=CC=C1C([NH2+]C(C)CC(C)(C)CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018579933	0	54	0.0	-56.83	391.81	13.29	-43.54
CC1=CC=CC=C1C([NH2+]C1CCC(CC(=O)[O-])C1C)C1=CC=C(Cl)C=C1	REAL300018579934	0	52	0.0	-68.59	396.50	13.30	-55.29
CC1=CC=CC=C1C([NH2+]C1CC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018579935	0	46	0.0	-58.79	356.47	12.24	-46.55
CC1=CC=CC=C1C([NH2+]CC1=CN(C)N=C1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018579936	0	46	0.0	-54.88	376.27	11.07	-43.81
CCC1=C(C(=O)[O-])C=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2C)O1	REAL300018579937	1	49	0.0	-67.90	400.94	12.99	-54.91
CC1=CC=CC=C1C([NH2+]C1CCCC(CCCC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018579938	0	58	0.0	-73.97	441.19	14.77	-59.20
CC1=CC=CC=C1C([NH2+]C(C)CCCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018579939	0	57	0.0	-70.72	433.76	14.21	-56.51
CC1=CC=CC=C1C([NH2+]CC1=CC=C(C(=O)[O-])C=N1)C1=CC=C(Cl)C=C1	REAL300018579940	1	45	0.0	-71.34	373.53	11.40	-59.94
CC1=CC=CC=C1C([NH2+]CC1=CC(C(=O)[O-])=NN1C)C1=CC=C(Cl)C=C1	REAL300018579941	1	46	0.0	-82.13	383.49	10.93	-71.20
CC1=CC=CC=C1C([NH2+]CC1=CC=C(CCC(=O)[O-])O1)C1=CC=C(Cl)C=C1	REAL300018579942	1	49	0.0	-71.81	403.26	13.13	-58.68
CC1=CC=CC=C1C([NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1)C1=CC=C(Cl)C=C1	REAL300018579943	0	46	0.0	-75.77	385.90	13.30	-62.47
CC1=CC=CC=C1C([NH2+]C1CC(CCC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018579944	0	49	0.0	-67.99	390.32	12.97	-55.02
CC1=CC=CC=C1C([NH2+]CC1=CC=C(C(=O)[O-])N=C1)C1=CC=C(Cl)C=C1	REAL300018579945	0	45	0.0	-82.62	374.08	11.44	-71.18
CC1=CC=CC=C1C([NH2+]CC1=CN=C(C(=O)[O-])C=C1C)C1=CC=C(Cl)C=C1	REAL300018579946	0	48	0.0	-81.85	389.33	12.05	-69.80
CC1=CC=CC=C1C([NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018579947	0	49	0.0	-71.70	384.27	12.90	-58.80
CC1=CC=CC=C1C([NH2+]CC1=CC(C(=O)[O-])=CC=C1O)C1=CC=C(Cl)C=C1	REAL300018579948	0	47	0.0	-69.59	388.67	10.64	-58.95
C=CC[N@H+](CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC(OC)=C1	REAL300018579949	0	44	0.0	-73.48	353.03	11.09	-62.39
C=CC[N@@H+](CC1=CC=C(C(=O)[O-])C=C1)CC1=CC=CC(OC)=C1	REAL300018579949	1	44	0.0	-72.71	353.08	11.09	-61.62
C=CC[N@H+](CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579950	0	51	0.0	-59.27	410.93	13.71	-45.56
C=CC[N@@H+](CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579950	1	51	0.0	-56.42	410.58	13.68	-42.74
C=CC[N@H+](CC1=CC(C(=O)[O-])=C(C)O1)CC1=CC=CC(OC)=C1	REAL300018579951	1	44	0.0	-65.32	357.38	10.26	-55.06
C=CC[N@@H+](CC1=CC(C(=O)[O-])=C(C)O1)CC1=CC=CC(OC)=C1	REAL300018579951	1	44	0.0	-62.68	356.56	10.23	-52.45
C=CC[N@H+](CC1=C(C(=O)[O-])OC=C1)CC1=CC=CC(OC)=C1	REAL300018579952	1	41	0.0	-47.08	332.51	9.41	-37.67
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C=CC[N@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579955	1	41	0.0	-62.60	337.49	9.73	-52.87
C=CC[N@@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579955	1	41	0.0	-61.08	336.75	9.70	-51.38
C=CC[N@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579956	1	41	0.0	-62.60	337.49	9.73	-52.87
C=CC[N@@H+](CC1=CC=C(C(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579956	1	41	0.0	-61.08	336.75	9.70	-51.38
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C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=CC(C(=O)[O-])=C1	REAL300018579959	0	44	0.0	-63.53	353.10	11.08	-52.45
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC=CC(C(=O)[O-])=C1	REAL300018579959	1	44	0.0	-63.26	353.14	11.08	-52.18
C=CC[N@H+](CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])CC1=CC=CC(OC)=C1	REAL300018579960	1	51	0.0	-53.53	403.00	11.94	-41.59
C=CC[N@@H+](CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-])CC1=CC=CC(OC)=C1	REAL300018579960	1	51	0.0	-48.46	402.77	11.92	-36.54
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300018579962	0	54	0.0	-75.63	428.29	12.92	-62.71
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC(C)=C(OCC(=O)[O-])C(C)=C1	REAL300018579962	1	54	0.0	-75.15	425.91	12.81	-62.34
C=CC[N@H+](CC1=C(C)N(CCC(=O)[O-])N=C1C)CC1=CC=CC(OC)=C1	REAL300018579963	1	53	0.0	-66.85	413.30	10.61	-56.24
C=CC[N@@H+](CC1=C(C)N(CCC(=O)[O-])N=C1C)CC1=CC=CC(OC)=C1	REAL300018579963	1	53	0.0	-65.48	415.16	10.70	-54.78
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C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=CC(C(=O)[O-])=N1	REAL300018579968	1	43	0.0	-61.07	349.64	9.64	-51.43
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C=CC[N@H+](CC1=CC=C(OC(C)C(=O)[O-])C=C1)CC1=CC=CC(OC)=C1	REAL300018579970	0	51	0.0	-73.14	402.60	11.99	-61.15
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C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018579976	0	47	0.0	-66.50	380.66	12.00	-54.50
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C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018579978	0	44	0.0	-70.87	369.30	11.58	-59.29
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018579978	1	44	0.0	-70.92	369.37	11.56	-59.36
C=CC[N@@H+](CC1=CC(C(=O)[O-])=C(CC)O1)CC1=CC=CC(OC)=C1	REAL300018579979	1	47	0.0	-63.09	376.43	10.95	-52.14
C=CC[N@H+](CC1=CC(C(=O)[O-])=C(CC)O1)CC1=CC=CC(OC)=C1	REAL300018579979	1	47	0.0	-65.83	377.25	10.98	-54.85
C=CC[N@H+](CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)CC1=CC=CC(OC)=C1	REAL300018579980	0	54	0.0	-67.93	429.72	12.61	-55.32
C=CC[N@@H+](CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1)CC1=CC=CC(OC)=C1	REAL300018579980	1	54	0.0	-66.24	428.29	12.53	-53.71
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(C(=O)[O-])C=N1	REAL300018579981	1	43	0.0	-63.30	348.81	9.64	-53.66
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(C(=O)[O-])C=N1	REAL300018579981	1	43	0.0	-63.40	337.26	8.66	-54.74
C=CC[N@H+](CC1=CC=C(CCC(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579983	1	47	0.0	-63.46	379.54	11.12	-52.34
C=CC[N@@H+](CC1=CC=C(CCC(=O)[O-])O1)CC1=CC=CC(OC)=C1	REAL300018579983	1	47	0.0	-62.34	378.75	11.09	-51.25
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018579984	0	44	0.0	-76.28	357.62	11.11	-65.17
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018579984	1	44	0.0	-73.27	357.68	11.11	-62.16
C=CC[N@H+](CC1=CC2=C(S1)SC(C(=O)[O-])=C2)CC1=CC=CC(OC)=C1	REAL300018579985	0	44	0.0	-74.69	381.42	11.82	-62.87
C=CC[N@@H+](CC1=CC2=C(S1)SC(C(=O)[O-])=C2)CC1=CC=CC(OC)=C1	REAL300018579985	1	44	0.0	-73.97	381.30	11.80	-62.17
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018579986	1	46	0.0	-90.11	375.05	9.91	-80.20
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018579986	1	46	0.0	-91.12	365.84	9.49	-81.63
C=CC[N@H+](CC1=CC=C(C(=O)[O-])N=C1)CC1=CC=CC(OC)=C1	REAL300018579987	1	43	0.0	-76.93	348.84	9.30	-67.63
C=CC[N@@H+](CC1=CC=C(C(=O)[O-])N=C1)CC1=CC=CC(OC)=C1	REAL300018579987	1	43	0.0	-75.79	348.86	9.30	-66.49
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018579988	1	51	0.0	-49.08	416.46	12.48	-36.60
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC(Cl)=CC=C1OC(C)C(=O)[O-]	REAL300018579988	1	51	0.0	-47.35	417.22	12.56	-34.79
C=CC[N@H+](CC1=CN=C2C=CC(C(=O)[O-])=CN12)CC1=CC=CC(OC)=C1	REAL300018579990	1	47	0.0	-54.80	376.07	11.37	-43.43
C=CC[N@@H+](CC1=CN=C2C=CC(C(=O)[O-])=CN12)CC1=CC=CC(OC)=C1	REAL300018579990	1	47	0.0	-55.70	371.82	10.99	-44.71
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CN=C(C(=O)[O-])C=C1C	REAL300018579991	1	46	0.0	-75.12	365.36	9.91	-65.21
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CN=C(C(=O)[O-])C=C1C	REAL300018579991	1	46	0.0	-74.38	364.59	9.89	-64.49
C=CC[N@@H+](CC1=CC=CC(OC)=C1)C[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018579992	0	47	0.0	-67.13	358.44	10.80	-56.33
C=CC[N@H+](CC1=CC=CC(OC)=C1)C[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018579992	1	47	0.0	-66.01	356.77	10.76	-55.25
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018579993	1	47	0.0	-69.94	376.33	10.74	-59.20
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018579993	1	47	0.0	-69.93	368.65	10.29	-59.64
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018579997	0	47	0.0	-67.97	392.15	12.08	-55.89
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018579997	1	47	0.0	-65.24	392.10	12.08	-53.16
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC(C(=O)[O-])=CC=C1O	REAL300018579998	0	45	0.0	-65.25	359.58	8.45	-56.80
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC(C(=O)[O-])=CC=C1O	REAL300018579998	1	45	0.0	-66.15	352.51	7.99	-58.16
C=CC[N@@H+](CC1=CC=CC(OC)=C1)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018579999	0	44	0.0	-67.17	374.39	11.69	-55.48
C=CC[N@H+](CC1=CC=CC(OC)=C1)CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018579999	1	44	0.0	-60.99	374.34	11.68	-49.31
CC1=CC(Cl)=CC2=C1C[N@H+](CC1=CC=C(C(=O)[O-])C=C1)CC2	REAL300018580000	0	40	0.0	-79.80	328.69	11.98	-67.82
CC1=CC(Cl)=CC2=C1C[N@@H+](CC1=CC=C(C(=O)[O-])C=C1)CC2	REAL300018580000	1	40	0.0	-79.79	328.68	11.98	-67.81
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1F	REAL300018585538	0	48	0.0	-30.03	378.34	11.98	-18.05
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585540	0	54	0.0	-30.53	400.23	12.33	-18.20
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1	REAL300018585541	0	60	0.0	-30.56	420.13	12.49	-18.07
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585542	0	58	0.0	-31.70	439.06	13.39	-18.31
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(Cl)=C1OC	REAL300018585543	0	53	0.0	-27.34	424.26	10.98	-16.36
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018585544	1	52	0.0	-32.02	417.66	13.85	-18.17
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018585545	0	48	0.0	-28.45	387.68	12.77	-15.68
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585546	0	55	0.0	-30.60	419.58	12.08	-18.52
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018585547	0	66	0.0	-30.59	483.27	15.59	-15.00
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1F	REAL300018585548	0	48	0.0	-31.69	377.01	11.93	-19.76
CC(C)(C)C1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018585549	0	49	0.0	-29.09	382.97	11.27	-17.82
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300018585551	0	54	0.0	-31.04	385.00	11.60	-19.44
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585552	0	57	0.0	-29.68	432.81	13.95	-15.73
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=C2)C=C1	REAL300018585553	0	58	0.0	-31.58	445.28	15.29	-16.29
CC1=CC(C)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585554	0	51	0.0	-29.65	394.43	12.59	-17.06
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300018585555	0	51	0.0	-37.06	407.14	12.00	-25.06
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018585556	0	45	0.0	-30.94	383.73	12.24	-18.70
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585557	0	58	0.0	-30.35	447.65	15.35	-15.00
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300018585558	0	49	0.0	-32.40	390.85	10.85	-21.55
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1OCC	REAL300018585559	0	59	0.0	-33.85	452.75	12.27	-21.58
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585561	0	57	0.0	-27.31	399.20	12.56	-14.75
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018585562	0	48	0.0	-36.40	402.19	12.64	-23.76
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018585563	0	45	0.0	-24.97	372.35	11.82	-13.15
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1	REAL300018585564	0	48	0.0	-33.62	391.22	10.37	-23.25
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018585565	0	50	0.0	-31.27	386.10	11.46	-19.81
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018585566	0	49	0.0	-29.88	395.67	11.00	-18.88
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018585567	0	51	0.0	-39.14	412.31	8.79	-30.35
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585568	0	58	0.0	-31.18	441.16	12.62	-18.56
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018585569	0	52	0.0	-33.47	410.19	13.52	-19.95
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585570	0	56	0.0	-30.10	407.78	12.39	-17.71
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585571	0	53	0.0	-30.73	388.23	11.77	-18.96
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585572	1	48	0.0	-27.26	383.89	11.92	-15.34
CC(C)(C)C1=CC=C(C([NH2+]CC2=CCCOC2)C(=O)[O-])C=C1	REAL300018585573	0	47	0.0	-30.34	356.64	9.03	-21.31
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1	REAL300018585575	0	50	0.0	-32.15	386.19	11.07	-21.08
CC(C)(C)C1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1	REAL300018585576	0	42	0.0	-31.96	361.92	10.91	-21.05
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018585577	0	56	0.0	-30.98	424.19	11.14	-19.84
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018585578	0	53	0.0	-39.16	428.92	7.88	-31.28
CC(C)(C)C1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1	REAL300018585580	0	49	0.0	-30.78	382.65	11.28	-19.50
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1	REAL300018585582	0	49	0.0	-31.25	381.03	11.23	-20.02
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585584	0	48	0.0	-30.76	376.58	11.71	-19.05
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018585585	0	48	0.0	-27.51	389.22	10.30	-17.21
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1	REAL300018585586	0	59	0.0	-30.98	442.23	13.09	-17.89
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585587	0	60	0.0	-30.52	426.36	14.03	-16.49
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300018585588	0	54	0.0	-31.98	418.89	12.85	-19.13
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1	REAL300018585589	0	54	0.0	-33.54	421.04	12.92	-20.62
CN1CCN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=C2)CC1	REAL300018585591	1	62	0.0	-30.55	459.50	9.94	-20.61
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1	REAL300018585592	0	54	0.0	-34.74	431.71	9.74	-25.00
CC(C)(C)C1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018585593	0	55	0.0	-35.79	410.73	9.06	-26.73
CC(C)(C)C1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018585594	0	59	0.0	-31.27	437.40	9.76	-21.51
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018585595	0	52	0.0	-33.40	416.83	12.54	-20.86
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018585596	0	52	0.0	-32.33	425.22	12.94	-19.39
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018585599	0	52	0.0	-34.57	421.22	11.92	-22.65
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018585600	0	55	0.0	-34.60	420.61	11.14	-23.46
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585602	0	56	0.0	-31.28	436.57	10.76	-20.52
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1Cl	REAL300018585603	0	49	0.0	-35.17	397.14	11.12	-24.05
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585605	0	48	0.0	-33.81	377.34	8.04	-25.77
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1	REAL300018585608	0	50	0.0	-32.39	384.32	11.43	-20.96
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018585609	0	52	0.0	-31.80	422.52	11.95	-19.85
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018585611	0	51	0.0	-27.57	392.59	10.41	-17.16
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018585612	0	54	0.0	-28.63	409.48	11.23	-17.40
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1	REAL300018585613	0	52	0.0	-31.71	412.33	13.54	-18.17
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])C=C1	REAL300018585614	0	52	0.0	-29.91	404.38	13.30	-16.61
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300018585615	0	53	0.0	-35.13	420.75	12.55	-22.58
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1	REAL300018585616	0	56	0.0	-34.83	428.45	9.61	-25.22
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585617	0	55	0.0	-28.66	422.52	12.23	-16.43
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585618	0	47	0.0	-43.43	355.15	11.15	-32.28
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585619	0	54	0.0	-32.27	430.25	12.82	-19.45
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018585620	1	52	0.0	-30.81	415.71	13.79	-17.02
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])C=C1	REAL300018585621	0	52	0.0	-31.18	426.97	14.01	-17.17
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=NC2=NN1	REAL300018585622	0	50	0.0	-38.08	393.36	9.75	-28.33
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300018585623	0	46	0.0	-33.02	361.14	9.19	-23.83
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])C=C1	REAL300018585624	0	59	0.0	-32.30	445.02	13.45	-18.85
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1	REAL300018585626	1	48	0.0	-35.07	377.13	11.67	-23.40
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585627	1	49	0.0	-31.82	393.81	10.28	-21.54
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585628	0	55	0.0	-30.03	418.94	12.06	-17.97
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585633	0	54	0.0	-32.01	414.84	13.44	-18.57
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585634	0	57	0.0	-31.19	428.54	14.00	-17.19
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585635	0	57	0.0	-31.77	425.56	13.97	-17.80
CC(C)(C)C1=CC=C(C([NH2+]C2CCC(F)(F)CC2)C(=O)[O-])C=C1	REAL300018585636	0	48	0.0	-31.26	360.84	10.74	-20.52
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300018585637	0	60	0.0	-29.88	446.93	11.95	-17.93
CC(C)(C)C1=CC=C(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300018585638	1	57	0.0	-56.15	420.08	11.74	-44.41
CC(C)(C)C1=CC=C(C([NH2+]C2CCN(CC3CC3)CC2)C(=O)[O-])C=C1	REAL300018585638	1	57	0.0	-30.66	414.18	10.17	-20.49
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300018585641	1	52	0.0	-35.27	425.85	14.11	-21.16
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300018585642	0	49	0.0	-37.00	386.34	9.65	-27.35
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300018585643	0	48	0.0	-36.59	395.29	12.27	-24.32
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585645	1	59	0.0	-58.08	428.12	11.73	-46.35
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C(C)S1	REAL300018585646	1	48	0.0	-29.11	380.68	11.78	-17.33
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)S2)C=C1	REAL300018585647	1	55	0.0	-31.86	438.91	14.66	-17.20
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCC1	REAL300018585648	0	51	0.0	-29.46	364.47	11.14	-18.32
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585649	0	49	0.0	-27.09	413.87	11.70	-15.39
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585650	0	51	0.0	-34.17	408.76	12.04	-22.13
CC(C)(C)C1=CC=C(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])C=C1	REAL300018585651	0	59	0.0	-32.45	437.68	9.90	-22.55
CC(C)(C)C1=CC=C(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300018585652	1	59	0.0	-49.38	413.96	10.84	-38.54
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1SC	REAL300018585653	0	53	0.0	-34.01	420.53	11.61	-22.40
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1OC	REAL300018585654	0	62	0.0	-32.45	469.57	12.76	-19.69
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1OC	REAL300018585655	0	60	0.0	-34.32	464.20	12.73	-21.59
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1OC	REAL300018585656	0	59	0.0	-29.37	455.21	11.48	-17.89
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585658	0	51	0.0	-30.06	379.55	11.55	-18.51
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585660	0	57	0.0	-33.53	425.98	13.99	-19.54
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1Cl	REAL300018585663	0	53	0.0	-34.78	430.58	12.59	-22.19
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300018585664	1	51	0.0	-31.63	414.70	12.23	-19.40
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585665	0	51	0.0	-29.50	372.83	11.19	-18.31
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C2OC(C)CC2=C1	REAL300018585666	0	57	0.0	-27.02	438.03	11.13	-15.89
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1F	REAL300018585670	0	53	0.0	-34.64	411.20	10.78	-23.86
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585672	1	66	0.0	-53.60	454.92	12.99	-40.61
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])C=C1	REAL300018585673	0	56	0.0	-32.71	429.03	12.51	-20.20
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585677	0	48	0.0	-28.26	372.18	11.43	-16.83
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC(C(F)(F)F)=C1	REAL300018585679	0	52	0.0	-31.46	417.89	11.50	-19.96
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585680	0	47	0.0	-30.92	356.56	9.91	-21.01
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585681	0	54	0.0	-31.12	406.45	11.97	-19.15
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585684	0	51	0.0	-26.39	382.55	9.71	-16.68
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585685	0	58	0.0	-31.55	444.57	12.99	-18.56
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585686	0	56	0.0	-34.28	436.60	10.76	-23.52
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585687	0	54	0.0	-26.54	396.40	9.85	-16.69
CC(C)(C)C1=CC=C(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300018585688	0	57	0.0	-31.13	406.58	12.47	-18.66
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])C=C1	REAL300018585689	0	49	0.0	-34.58	406.90	11.39	-23.19
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585690	0	56	0.0	-28.57	415.70	12.20	-16.37
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1	REAL300018585691	0	52	0.0	-29.65	397.15	13.18	-16.47
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585692	0	54	0.0	-32.75	400.97	12.98	-19.77
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585693	0	54	0.0	-27.89	403.06	13.17	-14.72
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)OCO2	REAL300018585694	0	52	0.0	-32.69	405.78	9.28	-23.41
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1OC	REAL300018585695	0	53	0.0	-31.53	417.95	10.81	-20.72
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SC=C1	REAL300018585696	1	46	0.0	-27.09	369.78	9.62	-17.47
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585697	0	58	0.0	-28.59	442.63	12.93	-15.66
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018585698	0	51	0.0	-30.30	396.79	13.40	-16.90
CC(C)(C)C1=CC=C(C([NH2+]CCC2CCOCC2)C(=O)[O-])C=C1	REAL300018585699	0	52	0.0	-33.43	383.69	9.78	-23.65
CC(C)(C)C1=CC=C(C([NH2+]CC2CCSCC2)C(=O)[O-])C=C1	REAL300018585700	0	49	0.0	-32.39	372.20	11.31	-21.08
CC(C)(C)C1=CC=C(C([NH2+]CC2CCCCCC2)C(=O)[O-])C=C1	REAL300018585701	0	54	0.0	-30.78	382.46	12.01	-18.77
CC(C)(C)C1=CC=C(C([NH2+]CC2=C3OC(C)(C)CC3=CC=C2)C(=O)[O-])C=C1	REAL300018585702	0	56	0.0	-32.44	427.60	12.45	-19.99
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300018585704	0	44	0.0	-26.12	362.46	10.07	-16.05
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300018585705	0	44	0.0	-26.71	358.86	9.96	-16.75
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])C=C1	REAL300018585706	0	45	0.0	-31.45	377.97	11.92	-19.53
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585708	0	51	0.0	-28.39	398.31	13.34	-15.05
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300018585709	0	49	0.0	-32.94	382.62	9.79	-23.15
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018585710	0	52	0.0	-38.66	408.66	12.43	-26.23
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])C=C1	REAL300018585714	0	50	0.0	-34.70	392.62	11.74	-22.96
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585715	1	45	0.0	-28.33	383.11	11.70	-16.63
CC(C)(C)C1=CC=C(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])C=C1	REAL300018585717	0	53	0.0	-43.43	403.93	7.03	-36.40
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SC=N1	REAL300018585719	1	44	0.0	-29.28	352.27	8.94	-20.34
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585720	0	49	0.0	-31.28	385.58	10.57	-20.71
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585721	0	49	0.0	-36.58	370.75	8.68	-27.90
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018585722	0	55	0.0	-33.30	423.22	11.22	-22.08
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585724	0	61	0.0	-32.06	447.45	11.14	-20.92
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(Cl)=C1	REAL300018585726	0	48	0.0	-24.63	383.78	12.31	-12.32
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300018585727	0	47	0.0	-40.84	392.28	12.31	-28.53
CC(C)(C)C1=CC=C(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018585728	0	48	0.0	-34.33	389.83	12.55	-21.78
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)S2)C=C1	REAL300018585729	1	54	0.0	-32.19	438.01	12.96	-19.23
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018585730	0	50	0.0	-27.77	408.06	12.30	-15.47
CC(C)(C)C1=CC=C(C([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018585731	0	50	0.0	-29.11	404.04	12.15	-16.96
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585732	0	50	0.0	-45.10	403.83	9.86	-35.24
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1	REAL300018585733	0	47	0.0	-29.77	390.59	12.32	-17.45
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCO1	REAL300018585737	0	52	0.0	-30.54	382.80	9.82	-20.72
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCO1	REAL300018585738	0	55	0.0	-30.61	400.62	10.38	-20.23
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])C=C1	REAL300018585739	0	55	0.0	-28.98	412.36	13.70	-15.28
CC(C)(C)C1=CC=C(C([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300018585740	0	64	0.0	-27.61	440.81	14.44	-13.17
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585741	0	59	0.0	-30.88	422.43	12.62	-18.26
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585742	0	54	0.0	-32.85	409.01	13.25	-19.60
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1C(C)(C)C	REAL300018585743	0	61	0.0	-30.66	450.97	13.22	-17.44
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585745	0	58	0.0	-32.91	432.01	12.41	-20.50
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCCC1	REAL300018585746	0	57	0.0	-30.98	407.47	12.69	-18.29
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018585747	0	50	0.0	-39.17	405.79	6.23	-32.94
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])C=C1	REAL300018585749	0	52	0.0	-33.39	402.87	13.20	-20.19
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1	REAL300018585751	0	55	0.0	-29.67	417.77	12.10	-17.57
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585752	0	52	0.0	-26.13	399.21	11.23	-14.90
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])C=C1	REAL300018585753	0	47	0.0	-30.08	393.25	10.35	-19.73
CC(C)(C)C1=CC=C(C([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])C=C1	REAL300018585754	0	55	0.0	-32.91	417.02	13.67	-19.24
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585756	1	49	0.0	-31.41	397.11	10.10	-21.31
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585757	1	51	0.0	-27.53	406.71	12.73	-14.80
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018585761	0	50	0.0	-32.70	388.11	12.26	-20.44
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1Br	REAL300018585762	0	48	0.0	-31.18	391.11	12.45	-18.73
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1Cl	REAL300018585763	0	49	0.0	-33.20	397.15	11.12	-22.08
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CS1	REAL300018585764	1	45	0.0	-28.83	361.53	10.96	-17.87
CC(C)(C)C1=CC=C(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018585765	1	48	0.0	-27.46	377.01	11.53	-15.93
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585768	0	46	0.0	-31.70	347.54	10.82	-20.88
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585769	0	51	0.0	-30.34	393.61	10.33	-20.01
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585771	0	51	0.0	-29.94	394.50	12.70	-17.24
CC(C)(C)C1=CC=C(C([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])C=C1	REAL300018585773	0	49	0.0	-33.10	390.14	12.84	-20.26
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3(CC3)CC2)C(=O)[O-])C=C1	REAL300018585775	0	52	0.0	-30.85	381.76	11.93	-18.92
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])C=C1	REAL300018585777	0	48	0.0	-31.98	393.85	12.17	-19.81
CC(C)(C)C1=CC=C(C([NH2+]C2C[C@@H]3CC[C@@H](C3)C2)C(=O)[O-])C=C1	REAL300018585778	0	52	0.0	-27.00	353.64	12.12	-14.88
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CN=C12	REAL300018585779	1	51	0.0	-35.04	399.91	12.29	-22.75
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CN=C1Cl	REAL300018585781	0	45	0.0	-33.81	366.61	10.10	-23.71
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CN=C1Br	REAL300018585782	0	45	0.0	-33.83	370.90	10.12	-23.71
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018585784	0	45	0.0	-34.24	372.65	8.60	-25.64
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])C=C1	REAL300018585786	0	49	0.0	-35.62	389.98	11.28	-24.34
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])C=C1	REAL300018585787	0	49	0.0	-32.66	387.96	11.22	-21.44
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585789	0	48	0.0	-28.17	379.12	12.20	-15.97
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300018585790	0	47	0.0	-30.64	382.41	10.98	-19.66
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)N21	REAL300018585791	1	51	0.0	-28.80	381.22	11.85	-16.95
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585792	0	57	0.0	-35.84	431.21	11.91	-23.93
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585793	0	57	0.0	-31.24	425.82	13.25	-17.99
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585794	0	54	0.0	-30.13	403.03	12.43	-17.70
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585795	0	48	0.0	-32.13	389.73	12.43	-19.70
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585796	0	52	0.0	-31.78	406.68	11.00	-20.78
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585797	0	57	0.0	-24.79	406.55	10.63	-14.16
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])C=C1	REAL300018585798	0	50	0.0	-35.29	399.01	11.70	-23.59
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC2=CC=CN=C12	REAL300018585799	0	53	0.0	-32.77	411.54	12.43	-20.34
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300018585800	0	57	0.0	-31.10	406.28	12.34	-18.76
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1C	REAL300018585802	0	58	0.0	-31.41	444.54	13.04	-18.37
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585804	0	55	0.0	-27.77	425.42	12.90	-14.87
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300018585805	0	54	0.0	-30.82	388.79	11.88	-18.94
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])C=C1	REAL300018585807	0	47	0.0	-29.04	367.61	9.39	-19.65
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCN1CC1=CC=CC=C1	REAL300018585808	0	63	0.0	-30.18	459.53	12.40	-17.78
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300018585809	0	48	0.0	-34.80	385.78	12.20	-22.60
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1	REAL300018585811	0	52	0.0	-28.43	394.50	13.05	-15.38
CC(C)(C)C1=CC=C(C([NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018585814	1	50	0.0	-26.11	384.72	11.43	-14.68
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=NN1C	REAL300018585815	0	48	0.0	-33.71	370.19	9.41	-24.30
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1F	REAL300018585816	0	59	0.0	-34.70	452.08	12.44	-22.26
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585817	0	56	0.0	-40.73	428.11	13.75	-26.98
CC(C)(C)C1=CC=C(C([NH2+]C2CC3CCC(C3)C2)C(=O)[O-])C=C1	REAL300018585818	0	52	0.0	-27.17	354.12	12.12	-15.05
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC(C2=CC=CC=C2)C1	REAL300018585819	0	61	0.0	-26.95	425.24	14.55	-12.40
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300018585821	0	54	0.0	-30.05	390.62	11.69	-18.36
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC2=CC=CC=C21	REAL300018585823	0	55	0.0	-32.77	426.09	12.86	-19.91
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585824	0	51	0.0	-32.95	397.90	9.67	-23.28
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585825	0	52	0.0	-31.77	409.36	11.56	-20.21
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585826	0	55	0.0	-34.92	417.08	11.85	-23.07
CC(C)(C)C1=CC=C(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300018585828	1	54	0.0	-52.24	389.58	10.54	-41.70
CC(C)(C)C1=CC=C(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300018585828	1	54	0.0	-53.46	391.25	11.00	-42.46
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])C=C1	REAL300018585829	0	61	0.0	-30.54	417.66	13.07	-17.47
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C(C)C1=CC=CC=C1	REAL300018585830	0	54	0.0	-31.71	400.70	12.87	-18.84
CC(C)(C)C1=CC=C(C([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])C=C1	REAL300018585831	0	53	0.0	-34.15	403.43	12.26	-21.89
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=CC=C12	REAL300018585832	0	55	0.0	-29.96	420.93	12.75	-17.21
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585834	0	53	0.0	-33.23	403.24	11.57	-21.66
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585835	0	54	0.0	-29.47	410.51	13.14	-16.33
CC(C)(C)C1=CC=C(C([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])C=C1	REAL300018585838	0	56	0.0	-34.09	428.90	14.24	-19.85
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])C=C1	REAL300018585839	0	59	0.0	-32.91	410.47	10.75	-22.16
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1C	REAL300018585840	0	51	0.0	-31.68	390.84	9.37	-22.31
CC(C)(C)C1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300018585842	0	48	0.0	-32.15	391.98	12.49	-19.66
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018585844	1	45	0.0	-34.16	382.45	11.57	-22.59
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)NC2=CC=C1	REAL300018585845	1	52	0.0	-32.08	404.43	11.85	-20.23
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585846	0	55	0.0	-33.87	403.36	10.55	-23.32
CC(C)(C)C1=CC=C(C([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018585847	0	45	0.0	-31.02	382.21	11.41	-19.61
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1	REAL300018585848	0	58	0.0	-29.19	434.26	12.74	-16.45
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585850	0	49	0.0	-30.72	362.17	11.14	-19.58
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1OC1CC1	REAL300018585851	0	57	0.0	-34.67	441.37	12.13	-22.54
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])C=C1	REAL300018585852	0	58	0.0	-31.07	408.13	12.76	-18.31
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1	REAL300018585853	0	47	0.0	-34.40	381.01	10.35	-24.05
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])C=C1	REAL300018585854	0	55	0.0	-30.50	402.13	13.18	-17.32
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585856	0	57	0.0	-30.88	398.55	11.98	-18.90
CC(C)(C)C1=CC=C(C([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300018585857	0	55	0.0	-34.58	401.91	13.22	-21.36
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C(F)F)=N1	REAL300018585858	0	48	0.0	-27.55	383.70	9.94	-17.61
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCCCC1	REAL300018585859	0	57	0.0	-28.49	394.35	12.43	-16.06
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585861	0	60	0.0	-28.45	412.79	12.49	-15.96
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])C=C1	REAL300018585862	0	53	0.0	-29.25	397.03	11.20	-18.05
CC(C)(C)C1=CC=C(C([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300018585863	0	52	0.0	-35.98	400.48	13.16	-22.82
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585864	0	54	0.0	-38.06	413.84	12.91	-25.15
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018585865	0	50	0.0	-35.68	403.90	6.15	-29.53
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)NC2=C1	REAL300018585867	1	52	0.0	-31.37	404.84	11.86	-19.51
CC(C)(C)C1=CC=C(C([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])C=C1	REAL300018585868	0	49	0.0	-35.06	378.07	9.87	-25.19
CC(C)(C)C1=CC=C(C([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018585871	0	61	0.0	-32.99	440.10	14.56	-18.43
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C1	REAL300018585872	0	54	0.0	-30.24	393.22	12.03	-18.21
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1N1C=NC=N1	REAL300018585874	0	54	0.0	-35.55	420.55	14.72	-20.83
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585875	0	54	0.0	-30.71	381.11	11.62	-19.09
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC1	REAL300018585876	0	57	0.0	-30.67	399.63	12.26	-18.41
CC(C)(C)C1=CC=C(C([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300018585877	0	57	0.0	-28.34	390.63	11.81	-16.53
CC(C)(C)C1=CC=C(C([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300018585878	0	63	0.0	-32.10	430.70	13.06	-19.04
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CCN1C	REAL300018585879	0	53	0.0	-30.10	382.70	8.65	-21.45
CC([NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C1CCCO1	REAL300018585881	0	49	0.0	-26.30	361.04	9.05	-17.25
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])C=C1	REAL300018585882	0	52	0.0	-37.25	415.98	11.81	-25.44
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585883	0	52	0.0	-32.34	406.67	10.99	-21.35
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585885	0	62	0.0	-37.99	458.22	12.19	-25.80
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585886	0	51	0.0	-34.23	394.50	12.72	-21.51
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1OC	REAL300018585887	0	56	0.0	-32.29	423.17	11.00	-21.29
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])C=C1	REAL300018585888	0	52	0.0	-28.47	390.82	13.15	-15.32
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)S1	REAL300018585889	1	45	0.0	-29.67	384.18	11.77	-17.90
CC(C)(C)C1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300018585890	0	48	0.0	-33.19	384.99	12.14	-21.05
CC1=CC(C)=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585891	0	54	0.0	-33.80	414.60	13.33	-20.47
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1OC	REAL300018585892	0	62	0.0	-32.61	459.71	12.32	-20.29
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=N2)C=C1	REAL300018585893	0	56	0.0	-33.23	437.99	11.72	-21.51
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585894	0	51	0.0	-31.60	398.41	12.31	-19.29
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1	REAL300018585895	0	62	0.0	-28.57	472.00	12.00	-16.57
CC(C)(C)C1=CC=C(C([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018585896	0	58	0.0	-30.55	436.61	14.76	-15.79
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585898	0	51	0.0	-39.03	388.28	10.27	-28.76
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CN=C21	REAL300018585899	0	50	0.0	-37.79	394.58	10.36	-27.43
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585900	0	54	0.0	-29.57	419.02	13.46	-16.11
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585901	0	59	0.0	-29.94	423.91	10.24	-19.70
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300018585902	0	51	0.0	-35.58	397.41	10.60	-24.98
CN1CCN(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=N2)CC1	REAL300018585903	0	60	0.0	-33.96	453.66	9.52	-24.44
CC(C)(C)C1=CC=C(C([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C(=O)[O-])C=C1	REAL300018585904	0	56	0.0	-33.66	440.06	14.72	-18.94
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(F)N=C2)C(=O)[O-])C=C1	REAL300018585907	0	44	0.0	-36.76	352.85	9.42	-27.34
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3COCCC3C2)C(=O)[O-])C=C1	REAL300018585908	0	56	0.0	-29.26	396.65	10.78	-18.48
CC(C)(C)C1=CC=C(C([NH2+]C2CC3(C2)COC(C)(C)C3)C(=O)[O-])C=C1	REAL300018585909	0	56	0.0	-32.78	414.38	10.72	-22.06
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C2)CO1	REAL300018585910	0	53	0.0	-35.09	387.94	9.85	-25.24
CC(C)(C)C1=CC=C(C([NH2+]C2CCOC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300018585911	0	53	0.0	-30.69	395.77	11.48	-19.21
CC(C)(C)C1=CC=C(C([NH2+]C2CCCC3=C(C=CS3)C2)C(=O)[O-])C=C1	REAL300018585912	0	52	0.0	-30.57	395.31	12.42	-18.15
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=C21	REAL300018585913	0	51	0.0	-32.81	390.00	12.50	-20.31
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585914	0	52	0.0	-31.42	395.90	11.17	-20.25
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585917	0	51	0.0	-27.98	385.08	12.55	-15.43
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585918	0	48	0.0	-33.11	379.41	12.00	-21.11
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1C	REAL300018585919	0	54	0.0	-28.60	401.15	12.98	-15.62
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CC2=C1	REAL300018585921	0	52	0.0	-30.66	418.55	12.09	-18.57
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)=CC=C21	REAL300018585923	0	57	0.0	-31.15	430.89	11.89	-19.26
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3(COC(C)(C)C3)CC2)C(=O)[O-])C=C1	REAL300018585924	0	62	0.0	-31.63	436.97	11.51	-20.12
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1Cl	REAL300018585925	0	49	0.0	-34.92	406.84	12.73	-22.19
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1C1CC1	REAL300018585926	0	55	0.0	-29.40	417.32	13.85	-15.55
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1)C2	REAL300018585927	0	59	0.0	-35.37	429.77	12.61	-22.76
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=N1	REAL300018585928	0	51	0.0	-30.93	399.24	8.87	-22.06
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1C1CC1	REAL300018585929	0	55	0.0	-29.36	416.10	13.83	-15.53
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C(C)=C2)C=C1	REAL300018585930	0	58	0.0	-32.91	445.34	13.53	-19.38
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C3CCC3)C2)C(=O)[O-])C=C1	REAL300018585931	0	52	0.0	-30.93	381.32	11.97	-18.96
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=C2C1C	REAL300018585934	0	56	0.0	-32.55	425.03	12.37	-20.18
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1OC(F)F	REAL300018585935	0	52	0.0	-29.74	410.95	11.59	-18.15
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585936	0	55	0.0	-32.01	419.48	10.57	-21.44
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)NN=C1C(F)(F)F	REAL300018585937	0	48	0.0	-32.90	387.39	9.06	-23.84
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3(CCC3)CC2)C(=O)[O-])C=C1	REAL300018585938	0	55	0.0	-30.97	394.22	12.27	-18.70
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=C1O	REAL300018585939	0	49	0.0	-30.48	382.71	9.17	-21.31
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])C=C1	REAL300018585942	0	50	0.0	-29.85	385.52	11.05	-18.80
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3COCCC3=C2)C(=O)[O-])C=C1	REAL300018585944	0	53	0.0	-31.67	405.32	11.35	-20.32
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300018585945	0	53	0.0	-34.55	413.96	11.05	-23.50
CC(C)(C)C1=CC=C(C([NH2+]C2CC(COCC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018585946	0	59	0.0	-36.55	449.99	13.06	-23.49
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=C1	REAL300018585947	0	49	0.0	-29.40	391.80	12.28	-17.12
CC(C)(C)C1=CC=C(C([NH2+]C2CCC3=CC(Cl)=CC=C3C2)C(=O)[O-])C=C1	REAL300018585948	0	52	0.0	-32.31	405.40	13.27	-19.04
CC(C)(C)C1=CC=C(C([NH2+]C2CC3C(C2)C3(C)C)C(=O)[O-])C=C1	REAL300018585949	0	52	0.0	-27.99	376.89	11.78	-16.21
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1	REAL300018585951	1	52	0.0	-27.72	416.81	13.51	-14.21
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])C=C1	REAL300018585952	0	53	0.0	-31.55	412.13	12.24	-19.31
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])C=C1	REAL300018585953	0	49	0.0	-27.64	403.14	11.07	-16.57
CC1=NC=CN1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1	REAL300018585954	0	58	0.0	-34.49	444.86	14.22	-20.27
CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C=C2)C=N1	REAL300018585955	0	58	0.0	-36.99	449.34	14.88	-22.11
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(=O)[O-])C=C1	REAL300018585956	0	59	0.0	-30.08	446.56	15.29	-14.79
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585959	0	51	0.0	-29.85	405.58	13.36	-16.49
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300018585963	0	56	0.0	-32.28	423.01	11.76	-20.52
CC(C)(C)C1=CC=C(C([NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018585964	1	48	0.0	-31.97	392.58	10.31	-21.66
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1	REAL300018585969	0	48	0.0	-29.81	390.20	12.19	-17.62
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])C=C1	REAL300018585970	0	53	0.0	-31.42	397.82	11.26	-20.16
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)(C)C)C=C1	REAL300018585971	0	52	0.0	-27.22	416.38	12.00	-15.22
CC(C)(C)C1=CC=C(C([NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])C=C1	REAL300018585974	0	58	0.0	-32.87	434.32	12.26	-20.61
CC(C)(C)C1=CC=C(C([NH2+]C2CC3CCCCC3C2)C(=O)[O-])C=C1	REAL300018585975	0	55	0.0	-28.56	395.91	12.48	-16.08
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=CC=C1C(C)(C)C	REAL300018585976	0	61	0.0	-25.93	445.05	13.00	-12.93
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C=N1	REAL300018585978	0	51	0.0	-30.10	388.96	8.43	-21.67
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C2)=C1	REAL300018585980	0	56	0.0	-34.91	425.10	12.31	-22.60
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C(C)(C)C)C=C3)C2)=N1	REAL300018585981	0	50	0.0	-37.25	386.01	8.57	-28.68
CC(C)(C)C1=CC=C(C([NH2+]C2CC(C3CCOCC3)C2)C(=O)[O-])C=C1	REAL300018585982	0	56	0.0	-33.22	408.26	10.80	-22.42
CC(C)(C)C1=CC=C(C([NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])C=C1	REAL300018585984	0	52	0.0	-36.02	408.70	11.21	-24.81
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])C=C1	REAL300018585985	0	58	0.0	-29.77	442.69	14.79	-14.98
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1	REAL300018585986	0	58	0.0	-36.01	430.52	12.28	-23.73
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C(F)(F)F)=CO1	REAL300018585988	0	48	0.0	-25.02	388.70	10.98	-14.04
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])C=C1	REAL300018585989	0	51	0.0	-29.49	402.87	12.73	-16.76
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])C=C1	REAL300018585990	0	51	0.0	-31.70	412.60	11.98	-19.72
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)C(C)=C1	REAL300018585991	0	61	0.0	-33.08	451.98	13.11	-19.97
CC(C)(C)C1=CC=C(C([NH2+]C2CC3CCCCCC3C2)C(=O)[O-])C=C1	REAL300018585992	0	58	0.0	-28.54	403.27	12.78	-15.76
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)CC2=CC=CC=C21	REAL300018585993	0	58	0.0	-34.40	411.91	13.48	-20.92
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(=O)[O-])C=C1	REAL300018585994	0	52	0.0	-31.67	417.18	13.69	-17.98
CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)=CC=C1O	REAL300018585995	0	62	0.0	-34.96	468.65	11.35	-23.61
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(=O)[O-])C=C1	REAL300018585996	0	51	0.0	-29.52	409.26	13.90	-15.62
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018585997	0	49	0.0	-30.26	406.07	12.66	-17.60
CC(C)(C)C1=CC=C(C([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])C=C1	REAL300018585998	0	53	0.0	-30.99	404.00	11.32	-19.67
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)(C)C)C=C2)SC2=CC(F)=CC=C12	REAL300018585999	0	51	0.0	-33.18	412.14	13.39	-19.79
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1F	REAL300018586633	0	45	0.0	-29.66	361.04	11.55	-18.11
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586635	0	51	0.0	-30.58	384.52	11.94	-18.64
CC(C)C1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1	REAL300018586636	0	57	0.0	-30.60	404.14	12.10	-18.50
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018586637	0	55	0.0	-33.71	419.61	12.94	-20.77
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(Cl)=C1OC	REAL300018586638	0	50	0.0	-27.97	410.26	10.65	-17.32
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018586639	1	49	0.0	-32.38	403.00	13.49	-18.89
CC(C)C1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018586640	0	45	0.0	-28.81	373.02	12.41	-16.40
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586641	0	52	0.0	-31.01	404.92	11.72	-19.29
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586642	0	64	0.0	-31.61	494.49	15.02	-16.59
CC(C)C1=CC=C(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300018586643	0	63	0.0	-30.98	466.66	15.17	-15.81
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1F	REAL300018586644	0	45	0.0	-31.70	361.04	11.54	-20.16
CC(C)C1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018586645	0	46	0.0	-29.13	367.00	10.88	-18.25
CC(C)C1=CC=C(C([NH2+]C2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300018586647	0	51	0.0	-31.02	369.03	11.21	-19.81
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586648	0	54	0.0	-29.32	415.46	13.53	-15.79
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)=C2)C=C1	REAL300018586649	0	55	0.0	-30.59	429.93	14.91	-15.68
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC(C)=C1	REAL300018586650	0	48	0.0	-29.33	377.12	12.16	-17.17
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586651	0	46	0.0	-28.56	377.53	10.68	-17.88
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1[N+](=O)[O-]	REAL300018586652	0	48	0.0	-36.83	389.84	11.58	-25.25
CC(C)C1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018586653	0	42	0.0	-31.35	369.08	11.88	-19.47
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586654	0	55	0.0	-30.37	431.67	14.95	-15.42
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300018586655	0	46	0.0	-34.17	374.90	10.45	-23.72
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OCC	REAL300018586656	0	56	0.0	-34.26	438.09	11.91	-22.35
CC(C)C1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1	REAL300018586657	0	54	0.0	-27.36	383.21	12.16	-15.20
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018586658	0	45	0.0	-31.84	385.59	12.22	-19.62
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018586659	0	42	0.0	-25.75	358.30	11.48	-14.27
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1	REAL300018586660	0	45	0.0	-37.15	373.29	9.91	-27.24
CC(C)C1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018586661	0	47	0.0	-31.25	370.13	11.07	-20.18
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018586662	0	46	0.0	-33.20	380.32	10.63	-22.57
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018586663	0	48	0.0	-38.84	395.01	8.36	-30.48
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586664	0	56	0.0	-32.12	443.84	13.94	-18.18
CC(C)C1=CC=C(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018586665	0	55	0.0	-31.64	426.48	12.26	-19.38
CC(C)C1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018586666	0	49	0.0	-33.48	394.21	13.13	-20.35
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])C=C1	REAL300018586667	0	52	0.0	-32.54	426.57	14.81	-17.73
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])C=C1	REAL300018586668	0	52	0.0	-32.55	426.58	14.80	-17.75
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586669	0	53	0.0	-29.98	391.81	11.98	-18.00
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586670	0	45	0.0	-27.26	367.91	11.52	-15.74
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1	REAL300018586672	0	47	0.0	-32.07	370.19	10.68	-21.39
CC(C)C1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1	REAL300018586673	0	39	0.0	-32.34	347.28	10.55	-21.79
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018586674	0	53	0.0	-30.99	408.22	10.75	-20.24
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018586675	0	50	0.0	-38.72	407.89	7.55	-31.17
CC(C)C1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1	REAL300018586676	0	46	0.0	-30.81	366.68	10.89	-19.92
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1	REAL300018586677	0	46	0.0	-31.90	366.99	10.89	-21.01
CC(C)C1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018586679	0	45	0.0	-30.14	359.32	11.27	-18.87
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018586680	0	45	0.0	-28.25	375.17	9.96	-18.29
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1	REAL300018586681	0	56	0.0	-30.40	424.32	12.64	-17.76
CC(C)C1=CC=C(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018586682	0	57	0.0	-29.80	408.82	13.65	-16.15
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300018586683	0	51	0.0	-32.68	404.84	12.51	-20.17
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1	REAL300018586684	0	51	0.0	-33.21	403.73	12.49	-20.72
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])C=C1	REAL300018586685	1	59	0.0	-30.98	444.84	9.58	-21.40
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1	REAL300018586686	0	51	0.0	-34.85	415.63	9.33	-25.52
CC(C)C1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018586687	0	52	0.0	-35.41	395.40	8.69	-26.72
CC(C)C1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018586688	0	56	0.0	-31.87	422.18	9.38	-22.49
CC(C)C1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018586689	0	49	0.0	-33.45	400.86	12.15	-21.30
CC(C)C1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018586690	0	49	0.0	-33.03	411.17	12.60	-20.43
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018586692	0	49	0.0	-35.04	406.56	11.56	-23.48
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C(=O)[O-])C=C1	REAL300018586694	1	49	0.0	-29.07	418.90	14.13	-14.94
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018586695	0	52	0.0	-34.61	404.64	10.75	-23.86
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])C=C1	REAL300018586696	0	55	0.0	-35.28	440.47	12.36	-22.92
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018586697	0	55	0.0	-34.53	439.67	12.46	-22.07
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586699	0	53	0.0	-35.04	419.30	10.34	-24.70
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1Cl	REAL300018586700	0	46	0.0	-35.15	381.17	10.72	-24.43
COC1=NC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586702	0	45	0.0	-27.08	381.35	8.21	-18.87
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586703	0	45	0.0	-33.32	360.04	7.61	-25.71
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300018586704	0	41	0.0	-26.76	350.61	9.61	-17.15
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1	REAL300018586706	0	47	0.0	-31.97	366.32	10.98	-20.99
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018586707	0	49	0.0	-31.80	406.55	11.56	-20.24
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586708	1	41	0.0	-30.57	340.39	8.77	-21.80
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018586709	0	48	0.0	-28.25	378.54	10.08	-18.17
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018586710	0	51	0.0	-29.31	395.43	10.89	-18.42
CC(C)C1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1	REAL300018586711	0	49	0.0	-31.37	395.07	13.09	-18.28
CC(C)C1=CC=C(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])C=C1	REAL300018586712	0	49	0.0	-30.11	388.53	12.92	-17.19
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300018586713	0	50	0.0	-34.73	403.48	12.12	-22.61
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1	REAL300018586714	0	53	0.0	-34.97	412.45	9.22	-25.75
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586715	0	52	0.0	-32.38	407.18	11.87	-20.51
CC(C)C1=CC=C(C([NH2+]C(C)CN2C=NC=N2)C(=O)[O-])C=C1	REAL300018586716	0	44	0.0	-43.48	339.83	10.79	-32.69
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586717	0	51	0.0	-32.28	414.28	12.42	-19.86
CC(C)C1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018586718	1	49	0.0	-30.85	399.73	13.39	-17.46
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])C=C1	REAL300018586719	0	49	0.0	-31.17	411.00	13.61	-17.56
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)C=NC2=NN1	REAL300018586720	0	47	0.0	-43.17	376.76	9.34	-33.83
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])C=C1	REAL300018586721	0	56	0.0	-32.50	428.39	13.04	-19.46
CC(C)C1=CC=C(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1	REAL300018586723	1	45	0.0	-35.17	361.16	11.27	-23.90
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(N(C)C)S2)C(=O)[O-])C=C1	REAL300018586724	1	46	0.0	-31.21	375.02	9.80	-21.41
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586725	0	52	0.0	-32.87	404.92	11.72	-21.15
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300018586731	0	51	0.0	-31.50	397.57	13.01	-18.49
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586732	0	54	0.0	-31.69	413.86	13.65	-18.04
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018586733	0	54	0.0	-32.15	431.19	13.97	-18.18
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586734	0	54	0.0	-31.68	413.85	13.65	-18.03
CC(C)C1=CC=C(C([NH2+]C2CCC(F)(F)CC2)C(=O)[O-])C=C1	REAL300018586735	0	45	0.0	-31.34	344.86	10.35	-20.99
CC(C)C1=CC=C(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018586736	0	57	0.0	-29.96	430.96	11.56	-18.40
CC(C)C1=CC=C(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300018586737	1	54	0.0	-56.10	404.10	11.34	-44.76
CC(C)C1=CC=C(C([NH2+]C2CCN(CC3CC3)CC2)C(=O)[O-])C=C1	REAL300018586737	1	54	0.0	-30.63	398.19	9.77	-20.86
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300018586740	1	49	0.0	-30.04	409.90	13.72	-16.32
CC(C)C1=CC=C(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])C=C1	REAL300018586741	0	54	0.0	-34.94	412.58	11.23	-23.71
CC(C)C1=CC=C(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300018586742	0	46	0.0	-37.08	370.36	9.26	-27.82
CC(C)C1=CC=C(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300018586743	0	45	0.0	-36.19	377.99	11.85	-24.34
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300018586745	1	56	0.0	-58.88	412.84	11.30	-47.58
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C(C)S1	REAL300018586746	1	45	0.0	-28.56	362.78	11.33	-17.23
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)S2)C=C1	REAL300018586747	0	52	0.0	-32.63	424.86	14.33	-18.30
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586748	0	46	0.0	-28.92	396.58	11.27	-17.65
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586749	0	48	0.0	-34.29	392.78	11.65	-22.64
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OC	REAL300018586750	0	57	0.0	-34.81	448.06	10.90	-23.91
CC(C)C1=CC=C(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])C=C1	REAL300018586751	0	56	0.0	-32.75	422.27	9.65	-23.10
CC(C)C1=CC=C(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300018586752	1	56	0.0	-55.72	402.49	10.65	-45.07
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1SC	REAL300018586753	0	50	0.0	-33.00	404.52	11.22	-21.78
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1OC	REAL300018586754	0	59	0.0	-32.81	454.92	12.40	-20.41
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1OC	REAL300018586755	0	57	0.0	-33.77	448.53	12.35	-21.42
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OCCC(C)C	REAL300018586756	0	62	0.0	-32.89	476.77	13.09	-19.80
CC(C)C1=CC=C(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300018586757	0	63	0.0	-32.54	456.93	6.96	-25.58
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1OC	REAL300018586758	0	56	0.0	-33.07	437.28	11.02	-22.05
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586761	0	54	0.0	-33.20	404.01	13.26	-19.94
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018586764	0	54	0.0	-33.21	429.29	13.91	-19.30
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1Cl	REAL300018586765	0	50	0.0	-35.24	415.93	12.23	-23.01
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)S2)C(=O)[O-])C=C1	REAL300018586766	1	48	0.0	-31.76	398.72	11.84	-19.92
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C2OC(C)CC2=C1	REAL300018586767	0	54	0.0	-27.15	422.05	10.74	-16.41
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])C=C1	REAL300018586770	0	50	0.0	-35.03	396.54	10.42	-24.61
CC(C)C1=CC=C(C(NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])C=C1	REAL300018586772	1	63	0.0	-52.13	436.77	12.54	-39.59
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586773	0	57	0.0	-30.49	439.37	14.49	-16.00
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])C=C1	REAL300018586774	0	53	0.0	-32.39	411.73	12.09	-20.30
CC(C)C1=CC=C(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])C=C1	REAL300018586778	0	45	0.0	-28.27	356.21	11.04	-17.23
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC(C(F)(F)F)=C1	REAL300018586780	0	49	0.0	-32.12	403.84	11.16	-20.96
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])C=C1	REAL300018586781	0	42	0.0	-25.85	369.61	11.93	-13.92
CC(C)C1=CC=C(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])C=C1	REAL300018586782	0	51	0.0	-31.17	390.48	11.57	-19.60
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586785	0	55	0.0	-31.58	428.60	12.60	-18.98
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586786	0	53	0.0	-34.36	420.62	10.37	-23.99
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586787	0	51	0.0	-27.49	375.18	10.33	-17.16
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586788	0	51	0.0	-27.69	410.53	13.54	-14.15
CC(C)C1=CC=C(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300018586789	0	54	0.0	-31.28	390.60	12.07	-19.21
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])C=C1	REAL300018586790	0	46	0.0	-34.69	390.92	10.99	-23.70
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586791	0	53	0.0	-28.17	397.91	11.74	-16.43
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1	REAL300018586792	0	49	0.0	-29.36	379.86	12.75	-16.61
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586793	0	51	0.0	-33.55	386.29	12.64	-20.91
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586794	0	51	0.0	-27.91	387.39	12.78	-15.13
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1)OCO2	REAL300018586795	0	49	0.0	-32.77	389.80	8.88	-23.89
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OC	REAL300018586796	0	50	0.0	-31.56	401.97	10.41	-21.15
COC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)SC=C1	REAL300018586797	1	43	0.0	-27.20	353.80	9.22	-17.98
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586798	0	55	0.0	-32.48	428.60	12.60	-19.88
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018586799	0	48	0.0	-31.33	378.77	12.96	-18.37
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1CN1C=CC=N1	REAL300018586800	0	56	0.0	-33.64	445.90	11.80	-21.84
CC(C)C1=CC=C(C([NH2+]CCC2CCOCC2)C(=O)[O-])C=C1	REAL300018586801	0	49	0.0	-33.49	367.73	9.39	-24.10
CC(C)C1=CC=C(C([NH2+]CC2CCSCC2)C(=O)[O-])C=C1	REAL300018586802	0	46	0.0	-32.11	354.89	10.89	-21.22
CC(C)C1=CC=C(C([NH2+]CC2CCCCCC2)C(=O)[O-])C=C1	REAL300018586803	0	51	0.0	-30.77	366.48	11.62	-19.15
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])C=C1	REAL300018586804	0	53	0.0	-26.59	412.87	12.09	-14.50
CC(C)C1=CC=C(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300018586806	0	41	0.0	-26.16	346.49	9.68	-16.48
CC(C)C1=CC=C(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300018586807	0	41	0.0	-26.77	342.89	9.57	-17.20
CC(C)C1=CC=C(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])C=C1	REAL300018586808	0	42	0.0	-31.56	362.01	11.52	-20.04
CC(C)C1=CC=C(C([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300018586810	0	48	0.0	-28.34	382.33	12.95	-15.39
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=N1	REAL300018586811	0	46	0.0	-33.19	367.27	9.43	-23.76
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018586812	0	49	0.0	-30.91	392.05	12.01	-18.90
CC(C)C1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])C=C1	REAL300018586815	0	47	0.0	-33.93	376.62	11.34	-22.59
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586816	1	42	0.0	-28.06	365.81	11.28	-16.78
CC(C)C1=CC=C(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])C=C1	REAL300018586818	0	50	0.0	-43.68	388.61	6.68	-37.00
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)SC=N1	REAL300018586820	1	41	0.0	-29.29	336.30	8.55	-20.74
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586821	0	46	0.0	-31.96	371.53	10.24	-21.72
CC(C)C1=CC=C(C([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])C=C1	REAL300018586822	0	46	0.0	-33.80	358.03	9.22	-24.58
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018586823	0	52	0.0	-33.32	407.24	10.83	-22.49
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300018586824	0	58	0.0	-32.13	431.41	10.76	-21.37
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(Cl)=C1	REAL300018586825	0	45	0.0	-24.68	367.80	11.92	-12.76
CC(C)C1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300018586826	0	44	0.0	-40.49	374.99	11.88	-28.61
CC(C)C1=CC=C(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018586827	0	45	0.0	-33.88	372.56	12.13	-21.75
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1OC1=CC=CN=C1	REAL300018586828	0	55	0.0	-34.82	438.79	12.58	-22.24
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)S2)C=C1	REAL300018586829	1	51	0.0	-32.27	422.04	12.57	-19.70
CC(C)C1=CC=C(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018586830	0	47	0.0	-27.39	390.76	11.87	-15.52
CC(C)C1=CC=C(C([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018586831	0	47	0.0	-29.15	388.06	11.76	-17.39
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])C=C1	REAL300018586832	0	47	0.0	-45.06	387.85	9.47	-35.59
CC(C)C1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1	REAL300018586833	0	44	0.0	-30.48	376.53	11.99	-18.49
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CCO1	REAL300018586837	0	49	0.0	-30.62	366.82	9.42	-21.20
CC(C)C1=CC=C(C([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])C=C1	REAL300018586838	0	52	0.0	-30.42	383.84	9.95	-20.47
CC(C)C1=CC=C(C([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])C=C1	REAL300018586839	0	52	0.0	-29.53	397.01	13.33	-16.20
CC(C)C1=CC=C(C([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300018586840	0	61	0.0	-27.62	424.84	14.04	-13.58
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586841	0	56	0.0	-30.36	405.18	12.16	-18.20
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586842	0	51	0.0	-32.15	391.11	12.78	-19.37
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1C(C)(C)C	REAL300018586843	0	58	0.0	-29.73	434.36	12.80	-16.93
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300018586845	0	55	0.0	-29.33	416.02	12.01	-17.32
CC(C)C1=CC=C(C([NH2+]CC(C)C2CCCCC2)C(=O)[O-])C=C1	REAL300018586846	0	54	0.0	-30.57	390.15	12.27	-18.30
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018586847	0	47	0.0	-38.41	388.55	5.80	-32.61
CC(C)C1=CC=C(C([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])C=C1	REAL300018586848	0	49	0.0	-32.89	385.59	12.77	-20.12
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(C)=C1	REAL300018586849	0	52	0.0	-29.12	399.86	11.65	-17.47
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586850	0	49	0.0	-26.87	385.16	10.89	-15.98
CC(C)C1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])C=C1	REAL300018586851	0	44	0.0	-30.20	377.28	9.96	-20.24
CC(C)C1=CC=C(C([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])C=C1	REAL300018586852	0	52	0.0	-33.00	401.04	13.27	-19.73
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586854	1	46	0.0	-30.83	379.21	9.64	-21.19
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586855	1	48	0.0	-27.19	389.41	12.30	-14.89
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018586857	0	47	0.0	-32.83	373.25	11.98	-20.85
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1Br	REAL300018586858	0	45	0.0	-30.89	373.82	12.02	-18.87
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1Cl	REAL300018586859	0	46	0.0	-32.43	379.22	10.66	-21.77
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CS1	REAL300018586860	1	42	0.0	-28.86	345.55	10.56	-18.30
CC(C)C1=CC=C(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018586861	1	45	0.0	-28.15	362.95	11.19	-16.96
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586864	0	48	0.0	-30.39	377.63	9.94	-20.45
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586866	0	48	0.0	-29.61	378.50	12.30	-17.31
CC(C)C1=CC=C(C([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])C=C1	REAL300018586868	0	46	0.0	-32.22	374.03	12.41	-19.81
CC(C)C1=CC=C(C([NH2+]C2CCC3(CC3)CC2)C(=O)[O-])C=C1	REAL300018586869	0	49	0.0	-30.52	365.17	11.53	-18.99
CC(C)C1=CC=C(C([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])C=C1	REAL300018586871	0	45	0.0	-31.18	377.25	11.75	-19.43
CC(C)C1=CC=C(C([NH2+]C2C[C@@H]3CC[C@@H](C3)C2)C(=O)[O-])C=C1	REAL300018586872	0	49	0.0	-27.03	337.68	11.72	-15.31
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)=CN=C12	REAL300018586873	1	48	0.0	-31.00	381.98	11.84	-19.16
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])C=C1	REAL300018586875	0	42	0.0	-33.81	350.63	9.70	-24.11
CC(C)C1=CC=C(C([NH2+]CC2=CN=C(Br)N2C)C(=O)[O-])C=C1	REAL300018586876	0	42	0.0	-33.86	354.92	9.73	-24.13
CC(C)C1=CC=C(C([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018586878	0	42	0.0	-34.31	356.67	8.20	-26.11
CC(C)C1=CC=C(C([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])C=C1	REAL300018586880	0	46	0.0	-35.67	374.00	10.89	-24.78
CC(C)C1=CC=C(C([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])C=C1	REAL300018586881	0	46	0.0	-33.48	373.91	10.88	-22.60
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586883	0	45	0.0	-28.00	363.16	11.89	-16.11
CC(C)C1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300018586884	0	44	0.0	-30.72	366.44	10.58	-20.14
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)N21	REAL300018586885	1	48	0.0	-28.86	365.24	11.46	-17.40
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018586886	0	54	0.0	-33.41	419.52	11.56	-21.85
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586887	0	54	0.0	-30.71	408.56	12.82	-17.89
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586888	0	51	0.0	-30.69	388.35	12.08	-18.61
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586889	0	45	0.0	-29.42	373.76	12.04	-17.38
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586890	0	49	0.0	-31.50	389.38	10.57	-20.93
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586891	0	54	0.0	-24.84	390.58	10.23	-14.61
CC(C)C1=CC=C(C([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])C=C1	REAL300018586892	0	47	0.0	-35.38	383.03	11.31	-24.07
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC2=CC=CN=C12	REAL300018586893	0	50	0.0	-33.23	396.88	12.06	-21.17
CC(C)C1=CC=C(C([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])C=C1	REAL300018586894	0	54	0.0	-31.15	390.30	11.95	-19.20
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1C	REAL300018586896	0	55	0.0	-30.82	428.57	12.64	-18.18
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586898	0	52	0.0	-27.20	407.52	12.44	-14.76
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C1	REAL300018586899	0	51	0.0	-30.86	372.81	11.49	-19.37
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])C=C1	REAL300018586901	0	44	0.0	-28.48	349.70	8.94	-19.54
CC(C)C1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1	REAL300018586902	0	60	0.0	-30.55	444.76	12.06	-18.49
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300018586903	0	45	0.0	-34.85	369.80	11.81	-23.04
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1	REAL300018586905	0	49	0.0	-28.45	378.53	12.66	-15.79
CC(C)C1=CC=C(C([NH2+]CC2=NC=CC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018586908	1	47	0.0	-26.74	371.12	11.09	-15.65
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=NN1C	REAL300018586909	0	45	0.0	-34.33	356.13	9.08	-25.25
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1F	REAL300018586910	0	56	0.0	-34.65	434.91	11.93	-22.72
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C(SC)C=C1OC	REAL300018586911	0	54	0.0	-28.96	429.96	11.00	-17.96
CC(C)C1=CC=C(C([NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)C(=O)[O-])C=C1	REAL300018586912	0	62	0.0	-31.67	453.95	11.53	-20.14
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300018586913	0	53	0.0	-40.33	410.84	13.32	-27.01
CC(C)C1=CC=C(C([NH2+]C2CC3CCC(C3)C2)C(=O)[O-])C=C1	REAL300018586914	0	49	0.0	-27.26	338.15	11.73	-15.53
CC(C)C1=CC=C(C([NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018586915	0	58	0.0	-27.74	411.18	14.22	-13.52
CC(C)C1=CC=C(C([NH2+]C2CC(C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300018586917	0	51	0.0	-30.67	376.53	11.38	-19.29
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC2=CC=CC=C21	REAL300018586919	0	52	0.0	-31.57	408.78	12.45	-19.12
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586920	0	48	0.0	-33.00	381.92	9.28	-23.72
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586921	0	49	0.0	-31.82	393.39	11.17	-20.65
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586922	0	52	0.0	-34.61	399.79	11.41	-23.20
CC(C)C1=CC=C(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300018586924	1	51	0.0	-52.11	373.58	10.14	-41.97
CC(C)C1=CC=C(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300018586924	1	51	0.0	-48.53	372.90	10.59	-37.94
CC(C)C1=CC=C(C([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])C=C1	REAL300018586925	0	58	0.0	-31.07	402.97	12.71	-18.36
CC(C)C1=CC=C(C([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018586926	0	51	0.0	-30.78	381.57	12.42	-18.36
CC(C)C1=CC=C(C([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])C=C1	REAL300018586927	0	50	0.0	-33.41	388.43	11.90	-21.51
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)C=CC=C12	REAL300018586928	0	52	0.0	-29.52	403.03	12.30	-17.22
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300018586930	0	50	0.0	-35.30	382.99	11.12	-24.18
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])C=C1	REAL300018586931	0	51	0.0	-29.03	394.52	12.76	-16.27
CC(C)C1=CC=C(C([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])C=C1	REAL300018586933	0	53	0.0	-34.17	412.93	13.85	-20.32
CC(C)C1=CC=C(C([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])C=C1	REAL300018586934	0	56	0.0	-32.49	393.72	10.36	-22.13
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1C	REAL300018586935	0	48	0.0	-31.12	372.94	8.92	-22.20
CC(C)C1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300018586937	0	45	0.0	-32.22	375.97	12.09	-20.13
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018586939	0	42	0.0	-34.13	366.47	11.18	-22.95
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)NC2=CC=C1	REAL300018586940	1	49	0.0	-32.09	388.45	11.46	-20.63
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300018586941	0	52	0.0	-34.37	388.70	10.20	-24.17
CC(C)C1=CC=C(C([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018586942	0	42	0.0	-31.08	366.23	11.01	-20.07
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(C)=C1	REAL300018586943	0	55	0.0	-29.68	419.94	12.41	-17.27
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OC1CC1	REAL300018586945	0	54	0.0	-34.01	425.41	11.74	-22.27
CC(C)C1=CC=C(C([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])C=C1	REAL300018586946	0	55	0.0	-30.64	390.86	12.32	-18.32
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1	REAL300018586947	0	44	0.0	-33.37	363.72	9.92	-23.45
CC(C)C1=CC=C(C([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])C=C1	REAL300018586948	0	52	0.0	-29.88	385.28	12.81	-17.07
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300018586950	0	54	0.0	-30.55	381.82	11.58	-18.97
CC(C)C1=CC=C(C([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300018586951	0	52	0.0	-34.64	385.93	12.83	-21.81
CC(C)C1=CC=C(C([NH2+]CC2=CN(C)N=C2C(F)F)C(=O)[O-])C=C1	REAL300018586952	0	45	0.0	-27.58	367.73	9.55	-18.03
CC(C)C1=CC=C(C([NH2+]C(C)C2CCCCCC2)C(=O)[O-])C=C1	REAL300018586953	0	54	0.0	-28.95	379.64	12.08	-16.87
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300018586955	0	57	0.0	-30.45	396.40	12.12	-18.33
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])C=C1	REAL300018586956	0	50	0.0	-28.58	378.59	10.72	-17.86
CC(C)C1=CC=C(C([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300018586957	0	49	0.0	-36.59	385.80	12.79	-23.80
CC(C)C1=CC=C(C([NH2+]C(C)CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018586958	0	51	0.0	-38.90	399.16	12.55	-26.35
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018586959	0	47	0.0	-40.85	388.50	5.79	-35.06
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)NC2=C1	REAL300018586961	1	49	0.0	-30.74	386.94	11.41	-19.33
CC(C)C1=CC=C(C([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])C=C1	REAL300018586962	0	46	0.0	-34.71	360.77	9.44	-25.27
CC(C)C1=CC=C(C([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018586965	0	58	0.0	-32.00	422.62	14.07	-17.93
CC(C)C1=CC=C(C([NH2+]C2CCC(C(C)C)C2)C(=O)[O-])C=C1	REAL300018586966	0	51	0.0	-30.05	375.48	11.49	-18.56
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)C=C2)=C1	REAL300018586968	0	58	0.0	-32.02	452.64	15.61	-16.41
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC=C1N1C=NC=N1	REAL300018586969	0	51	0.0	-35.55	404.57	14.32	-21.23
CC(C)C1=CC=C(C([NH2+]C2CCCC(C)CC2)C(=O)[O-])C=C1	REAL300018586970	0	51	0.0	-28.42	365.29	11.20	-17.22
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)CC1	REAL300018586971	0	54	0.0	-28.50	383.81	11.84	-16.66
CC(C)C1=CC=C(C([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300018586972	0	54	0.0	-30.88	374.58	11.44	-19.44
CC(C)C1=CC=C(C([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300018586973	0	60	0.0	-32.15	414.74	12.68	-19.47
CC(C)C1=CC=C(C([NH2+]C2CCN(C)C(C)C2)C(=O)[O-])C=C1	REAL300018586974	0	50	0.0	-30.21	366.86	8.25	-21.96
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])C=C1	REAL300018586976	0	49	0.0	-36.91	398.68	11.39	-25.52
CC(C)C1=CC=C(C([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])C=C1	REAL300018586977	0	49	0.0	-33.90	399.55	9.17	-24.73
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(Br)=C1	REAL300018586978	0	46	0.0	-25.16	379.45	10.64	-14.52
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=C1	REAL300018586979	0	49	0.0	-30.94	390.67	10.59	-20.35
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586980	0	52	0.0	-33.93	428.81	13.13	-20.80
CC(C)C1=CC=C(C([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300018586982	0	53	0.0	-32.86	436.22	14.97	-17.89
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586983	0	59	0.0	-40.08	443.22	11.82	-28.26
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586984	0	48	0.0	-33.62	376.60	12.27	-21.35
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1OC	REAL300018586985	0	53	0.0	-32.32	407.20	10.61	-21.71
CC(C)C1=CC=C(C([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])C=C1	REAL300018586986	0	49	0.0	-28.02	373.15	12.70	-15.32
CC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)S1	REAL300018586987	1	42	0.0	-29.18	366.90	11.34	-17.84
CC(C)C1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300018586988	0	45	0.0	-32.82	367.67	11.71	-21.11
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)=CC(C)=C1	REAL300018586989	0	51	0.0	-34.25	399.97	12.97	-21.28
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C(C)=C1OC	REAL300018586990	0	59	0.0	-36.01	442.02	11.67	-24.34
COC1=CC=C(N2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C(C)C)C=C3)C=N2)C=C1	REAL300018586991	0	53	0.0	-37.23	423.94	11.38	-25.85
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CSC=C2)C(=O)[O-])C=C1	REAL300018586992	0	48	0.0	-31.61	382.43	11.91	-19.70
COCCC1=CC=C(OCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C(C)C)C=C2)C=C1	REAL300018586993	0	59	0.0	-28.71	456.38	11.61	-17.10
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018586994	0	52	0.0	-32.57	424.28	13.30	-19.27
CC(C)C1=CC=C(C([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018586995	0	55	0.0	-30.96	421.93	14.41	-16.55
CC(C)C1=CC=C(C([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])C=C1	REAL300018586997	0	48	0.0	-39.74	373.59	9.91	-29.83
CC(C)C1=CC=C(C([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])C=C1	REAL300018586998	0	47	0.0	-38.25	379.93	10.00	-28.25
CC(C)C1=CC=C(C([NH2+]C(C)CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300018586999	0	51	0.0	-30.15	404.34	13.10	-17.05
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C(C)C)C=C1	REAL300018587000	0	54	0.0	-36.79	426.78	13.81	-22.98
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300018588346	0	46	0.0	-63.09	380.88	12.91	-50.18
CC1(C)CCCCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588347	0	52	0.0	-66.10	380.51	12.64	-53.46
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])=C1	REAL300018588349	0	45	0.0	-66.53	390.39	13.30	-53.23
CC(C)=CCCC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588350	0	52	0.0	-66.38	403.07	13.30	-53.08
CC1(C)CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC(C)(C)C1	REAL300018588351	0	58	0.0	-67.67	424.09	13.49	-54.18
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588352	0	56	0.0	-70.55	442.80	14.39	-56.16
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)=C1	REAL300018588353	0	50	0.0	-75.37	421.30	14.83	-60.54
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=CC=C3S2)=C1	REAL300018588354	0	46	0.0	-77.33	391.21	13.76	-63.57
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588355	0	53	0.0	-73.92	423.07	13.06	-60.86
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=C1F	REAL300018588356	0	46	0.0	-77.47	380.69	12.92	-64.55
CC1CCC(C)C([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588357	0	52	0.0	-63.23	385.07	13.07	-50.16
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3NC=CC3=CC=C2)=C1	REAL300018588358	0	47	0.0	-74.18	385.54	12.22	-61.96
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CSC([N+](=O)[O-])=C2)=C1	REAL300018588359	0	42	0.0	-64.72	374.20	12.00	-52.72
CC1CC(C)CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588360	0	52	0.0	-65.10	394.81	12.80	-52.30
CC(C)CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588361	0	55	0.0	-72.03	435.11	14.89	-57.14
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1	REAL300018588362	0	49	0.0	-72.06	396.80	13.54	-58.52
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018588363	0	49	0.0	-81.86	409.51	12.95	-68.91
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)=C1	REAL300018588364	0	43	0.0	-77.68	387.43	13.23	-64.45
CC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588365	0	49	0.0	-72.10	386.93	13.27	-58.83
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC(OC(F)F)=C2)=C1	REAL300018588366	0	47	0.0	-78.27	393.23	11.80	-66.47
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC=CS2)=C1	REAL300018588367	1	39	0.0	-74.49	338.60	9.35	-65.14
CC(C)C1CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588368	0	55	0.0	-57.90	409.26	13.31	-44.59
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=CN=C2)=C1	REAL300018588369	0	41	0.0	-80.55	343.43	10.22	-70.33
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)=C1	REAL300018588370	0	46	0.0	-68.79	393.77	11.30	-57.49
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=NC3=CC=CC=C23)=C1	REAL300018588371	0	48	0.0	-81.37	390.23	12.47	-68.90
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588372	0	49	0.0	-87.58	414.62	9.73	-77.85
CC1CCCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588373	0	46	0.0	-63.66	354.98	11.66	-52.00
CC(CCOCC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588374	0	56	0.0	-68.20	444.95	13.62	-54.58
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)=C1	REAL300018588375	0	50	0.0	-75.18	414.56	14.50	-60.68
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCOCC2)=C1	REAL300018588376	0	44	0.0	-65.72	344.09	9.22	-56.50
CC(C)CCCC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588377	0	54	0.0	-66.35	412.11	13.38	-52.97
CCCCC(CC)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588378	0	51	0.0	-77.69	384.90	12.94	-64.75
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018588379	0	53	0.0	-76.32	423.13	13.70	-62.62
CCC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588380	0	46	0.0	-58.42	387.76	12.88	-45.54
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CCCOC2)=C1	REAL300018588381	0	45	0.0	-74.09	360.93	10.03	-64.06
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588382	0	49	0.0	-86.84	400.32	12.56	-74.28
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3OCCC3=C2)=C1	REAL300018588383	0	48	0.0	-75.20	389.88	12.06	-63.14
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(N3CCCC3)N=C2)=C1	REAL300018588384	0	54	0.0	-76.17	427.91	12.13	-64.04
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=CS2)=C1	REAL300018588385	0	39	0.0	-75.52	338.57	9.45	-66.07
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3C=CNC3=CC=C2)=C1	REAL300018588386	0	47	0.0	-71.01	385.36	12.24	-58.77
CN1C=NC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588387	0	43	0.0	-82.36	354.09	11.34	-71.02
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3C=CNC3=C2)=C1	REAL300018588388	0	47	0.0	-73.62	385.36	12.24	-61.38
CC1=NN(C)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588389	0	46	0.0	-80.45	376.79	10.37	-70.08
CC(CC1=CC=CS1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588390	0	46	0.0	-70.50	379.01	12.67	-57.83
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)=C1	REAL300018588391	0	46	0.0	-87.01	393.94	11.30	-75.71
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588392	0	46	0.0	-78.02	375.59	12.91	-65.11
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588393	0	58	0.0	-67.17	433.55	15.11	-52.06
CN(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588394	0	51	0.0	-76.82	405.43	12.52	-64.30
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)=C1	REAL300018588395	0	52	0.0	-80.78	423.20	13.86	-66.92
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)=C1	REAL300018588396	0	52	0.0	-79.12	423.40	13.87	-65.25
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CSC=N2)=C1	REAL300018588397	1	39	0.0	-60.78	338.77	9.20	-51.58
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCN(C3=CN=CC=N3)CC2)=C1	REAL300018588398	0	53	0.0	-74.90	414.37	10.05	-64.85
CC1=NNC(C)=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588399	0	46	0.0	-78.71	374.29	9.76	-68.95
CC(C)(C)N1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588400	0	52	0.0	-57.08	416.93	12.02	-45.06
CN1N=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588401	0	43	0.0	-80.26	354.67	9.79	-70.47
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C(N3CCCC3)N=C2)=C1	REAL300018588402	0	53	0.0	-63.25	423.06	12.10	-51.15
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588403	0	52	0.0	-79.27	417.71	11.80	-67.47
COCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588404	0	54	0.0	-78.02	438.95	11.71	-66.31
COC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300018588405	0	47	0.0	-74.48	399.51	12.07	-62.41
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588406	0	55	0.0	-85.45	435.55	13.77	-71.68
COC1=NC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588407	0	46	0.0	-52.94	379.90	8.98	-43.96
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(Br)C=N2)=C1	REAL300018588408	0	42	0.0	-78.80	370.20	10.99	-67.81
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=NC=CC=C23)=C1	REAL300018588409	0	48	0.0	-80.69	389.89	12.46	-68.23
CC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588410	0	42	0.0	-72.96	360.65	10.16	-62.80
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=C2OCCO3)=C1	REAL300018588411	0	49	0.0	-71.36	397.10	11.42	-59.94
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=C2OCCCO3)=C1	REAL300018588412	0	52	0.0	-70.29	415.50	12.21	-58.08
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)=C1	REAL300018588413	0	50	0.0	-69.11	414.38	14.51	-54.60
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC(C3=CC=CC=C3Cl)C2)=C1	REAL300018588414	0	50	0.0	-77.51	410.38	14.41	-63.10
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)=C1	REAL300018588415	0	51	0.0	-83.83	423.11	13.49	-70.34
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588416	0	55	0.0	-67.33	444.72	14.22	-53.11
CCCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588417	0	53	0.0	-76.79	426.82	13.24	-63.55
CC(CN1C=NC=N1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588418	0	45	0.0	-64.01	367.88	12.35	-51.66
C#CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588419	0	52	0.0	-75.92	432.35	13.77	-62.15
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)=C1	REAL300018588420	0	50	0.0	-75.41	419.87	14.79	-60.62
CC1=C2C=C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C=NC2=NN1	REAL300018588421	0	48	0.0	-81.37	397.03	10.74	-70.63
CC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588422	0	44	0.0	-81.02	365.43	10.19	-70.83
CCC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588423	0	45	0.0	-72.97	382.14	10.92	-62.05
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC=C2N2C=NC=N2)=C1	REAL300018588424	0	49	0.0	-75.82	397.26	15.61	-60.21
CN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C2=CC=CN=C2)=N1	REAL300018588425	0	52	0.0	-76.41	428.38	11.60	-64.81
CN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C2=CC=NC=C2)=N1	REAL300018588426	0	52	0.0	-79.70	427.25	11.80	-67.90
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C3C=CC=CN23)=C1	REAL300018588427	0	46	0.0	-85.84	380.82	12.66	-73.18
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588428	0	47	0.0	-58.65	395.16	11.20	-47.45
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588429	0	53	0.0	-73.61	424.41	13.10	-60.51
CC(C)C1=NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588430	1	48	0.0	-60.49	401.60	11.25	-49.24
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CCC1=NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588432	1	45	0.0	-66.48	381.87	10.68	-55.80
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588433	0	52	0.0	-70.08	417.30	14.40	-55.68
CC1=CC=CC(CCC(C)[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588434	0	55	0.0	-68.14	432.30	15.00	-53.14
CC1=CC=C(CCC(C)[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588435	0	55	0.0	-68.14	432.36	15.01	-53.13
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC(F)(F)CC2)=C1	REAL300018588436	0	46	0.0	-77.53	364.52	11.72	-65.81
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CC(C)(C)C1=NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588438	1	51	0.0	-66.38	420.51	11.76	-54.62
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CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588441	0	51	0.0	-58.11	420.67	11.99	-46.12
CC(C)C[NH+]1CCC(NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588442	1	57	0.0	-62.40	429.06	12.37	-50.03
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C(C)S1	REAL300018588443	0	46	0.0	-72.28	383.99	12.74	-59.54
CC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300018588444	0	49	0.0	-66.06	371.86	12.25	-53.81
C#CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588445	0	49	0.0	-75.95	410.86	13.00	-62.95
CC(C)(C)[NH+]1CCC(NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588446	1	57	0.0	-61.06	419.53	11.70	-49.36
COC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=C1SC	REAL300018588447	0	51	0.0	-79.42	422.90	12.56	-66.86
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C=CCCC(CC)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588449	0	49	0.0	-79.14	376.22	12.72	-66.42
CCN1C=CN=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588450	0	46	0.0	-79.42	371.18	11.52	-67.90
CCOCC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588451	0	46	0.0	-70.15	365.31	9.92	-60.23
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588452	0	55	0.0	-75.66	422.13	15.14	-60.52
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)=C1	REAL300018588453	1	49	0.0	-88.21	406.85	12.04	-76.17
CCN1N=C(C)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300018588454	0	52	0.0	-72.04	416.34	11.82	-60.22
C=CCC(C)C(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588455	0	49	0.0	-66.50	378.87	12.28	-54.22
CC(C)CCC1CCCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588456	0	58	0.0	-66.44	432.07	14.81	-51.63
CCCCC1CCCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588457	0	55	0.0	-66.20	414.55	14.29	-51.91
CN1N=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300018588458	0	49	0.0	-78.97	403.90	12.13	-66.84
CN1C=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588459	0	43	0.0	-61.06	356.72	9.93	-51.13
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3C=CC=CC3=NN2)=C1	REAL300018588460	0	46	0.0	-87.06	380.70	10.83	-76.23
CN(C)C1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300018588461	0	51	0.0	-82.81	414.87	11.76	-71.05
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC=CN2CC(F)(F)F)=C1	REAL300018588462	1	46	0.0	-81.31	389.87	11.95	-69.36
CC1(C)CC2=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=CC=C2O1	REAL300018588463	0	54	0.0	-78.60	431.38	13.47	-65.13
CC1=NSC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588464	0	42	0.0	-81.34	360.51	10.63	-70.71
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)=C1	REAL300018588465	1	49	0.0	-71.32	410.47	10.65	-60.67
CC(CC1=CSC=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588466	0	46	0.0	-71.27	379.46	12.46	-58.81
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2CCCCCCC2)=C1	REAL300018588467	0	55	0.0	-71.56	396.76	13.38	-58.18
CC1=CSC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588468	0	42	0.0	-74.86	360.41	9.95	-64.91
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588469	0	53	0.0	-54.65	432.06	12.74	-41.91
CC1=NC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588470	0	45	0.0	-79.98	364.30	11.03	-68.95
CC(CSC(C)(C)C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588471	0	52	0.0	-69.88	410.24	12.97	-56.91
CN(C)C1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N1C	REAL300018588472	0	51	0.0	-81.75	407.31	11.52	-70.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)=C1	REAL300018588473	0	50	0.0	-86.68	412.75	12.52	-74.16
CC(C)OCC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588474	0	49	0.0	-70.58	385.58	10.67	-59.91
CC(C)COC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588475	0	56	0.0	-74.06	446.68	13.94	-60.12
COCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588476	0	54	0.0	-75.01	438.70	11.72	-63.29
COCC(CC(C)C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588477	0	52	0.0	-63.75	400.03	10.92	-52.83
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCOC2)=C1	REAL300018588478	0	44	0.0	-66.07	344.43	9.22	-56.85
CC1(C)CCCC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588479	0	55	0.0	-69.08	409.15	13.43	-55.65
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588480	0	54	0.0	-72.70	419.92	13.21	-59.49
CC1(C)CCCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588481	0	49	0.0	-65.03	371.03	12.52	-52.51
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3CCCC3=C2)=C1	REAL300018588482	0	50	0.0	-72.90	399.51	14.13	-58.77
CC1=CC=CC=C1CC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588483	0	52	0.0	-75.12	405.45	14.00	-61.12
CC1=CC=CC(CC(C)[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588484	0	52	0.0	-62.79	410.70	14.20	-48.59
COC1=CC2=C(C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)OCO2	REAL300018588485	0	50	0.0	-73.13	408.37	10.23	-62.90
COC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)SC=C1	REAL300018588486	0	44	0.0	-64.48	374.08	10.63	-53.85
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588487	0	56	0.0	-76.62	446.92	13.94	-62.68
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)=C1	REAL300018588488	0	49	0.0	-80.40	400.31	14.38	-66.02
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CCC2CCOCC2)=C1	REAL300018588489	0	50	0.0	-72.39	387.23	10.76	-61.63
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2CCSCC2)=C1	REAL300018588490	0	47	0.0	-72.33	374.38	12.26	-60.07
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588491	0	56	0.0	-76.74	444.47	14.29	-62.45
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2CCCCCC2)=C1	REAL300018588492	0	52	0.0	-69.09	386.90	12.94	-56.15
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300018588493	0	54	0.0	-78.56	429.92	13.73	-64.83
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C(Cl)C=NC=C2Cl)=C1	REAL300018588494	1	42	0.0	-66.68	377.41	11.24	-55.44
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC3=C(CCCC3)S2)=C1	REAL300018588495	0	49	0.0	-75.10	402.33	11.96	-63.14
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=NC=C2Br)=C1	REAL300018588496	0	42	0.0	-69.58	365.45	10.99	-58.59
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=NC=C2Cl)=C1	REAL300018588497	0	42	0.0	-70.28	361.78	10.89	-59.39
CC(C)(C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)N1CCOCC1	REAL300018588498	0	55	0.0	-57.22	407.63	8.95	-48.27
CCC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCC1	REAL300018588499	0	52	0.0	-77.35	384.87	13.21	-64.14
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=NN1C	REAL300018588500	0	46	0.0	-60.62	376.21	10.39	-50.23
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588501	0	49	0.0	-75.02	409.38	13.99	-61.03
CN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300018588502	0	53	0.0	-83.59	431.85	13.65	-69.94
CCC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588503	0	47	0.0	-81.07	386.91	10.80	-70.27
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)=C1	REAL300018588504	0	50	0.0	-67.40	412.58	13.39	-54.01
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=NO1	REAL300018588505	1	42	0.0	-67.59	350.75	10.36	-57.23
CCN1C=NC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588506	0	46	0.0	-80.24	371.29	12.33	-67.91
CC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N1C	REAL300018588507	0	46	0.0	-82.06	373.56	11.14	-70.92
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=NC=C3C=C2)=C1	REAL300018588508	0	48	0.0	-62.77	395.14	12.68	-50.09
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=NNC=C32)=C1	REAL300018588509	0	46	0.0	-80.29	380.25	10.92	-69.37
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=CNN=C32)=C1	REAL300018588510	0	46	0.0	-70.24	380.41	10.89	-59.35
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C3CCCN23)=C1	REAL300018588511	0	47	0.0	-81.75	380.00	11.80	-69.95
CS(=O)(=O)N1CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588512	0	51	0.0	-79.07	407.71	8.04	-71.03
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(F)C=N2)=C1	REAL300018588513	0	42	0.0	-79.92	355.28	10.47	-69.45
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)SC=N1	REAL300018588514	0	42	0.0	-58.82	357.74	9.97	-48.85
COC1=CC(F)=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588515	0	47	0.0	-78.64	389.88	11.58	-67.06
CC(CC1=CN=CC=N1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588516	0	47	0.0	-76.31	375.24	10.87	-65.44
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588517	0	53	0.0	-62.51	425.65	12.17	-50.34
CC1=NOC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588518	0	42	0.0	-75.92	350.75	10.39	-65.53
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=CO1	REAL300018588519	0	43	0.0	-72.59	353.87	11.00	-61.59
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(Cl)=C1	REAL300018588520	0	46	0.0	-72.85	388.62	13.33	-59.52
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)=C1	REAL300018588521	0	45	0.0	-93.94	394.65	13.26	-80.68
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CCC2=CC=CC(Cl)=C2)=C1	REAL300018588522	0	46	0.0	-68.73	392.04	13.50	-55.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NOC=C2)=C1	REAL300018588523	1	39	0.0	-67.76	328.80	9.53	-58.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCC2C2=CC=CC=C2)=C1	REAL300018588524	0	53	0.0	-71.19	412.63	14.48	-56.71
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)=C1	REAL300018588525	0	48	0.0	-69.01	399.30	12.78	-56.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)=C1	REAL300018588526	0	48	0.0	-69.54	400.39	12.82	-56.72
CS(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588527	0	48	0.0	-76.55	405.95	10.80	-65.75
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)=C1	REAL300018588528	0	45	0.0	-88.54	395.41	13.33	-75.21
CC(C)CCN1C=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588529	0	56	0.0	-73.88	436.54	14.69	-59.19
CCC1CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300018588530	0	50	0.0	-71.58	386.46	10.80	-60.78
CC(C)C1CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CCO1	REAL300018588531	0	53	0.0	-66.16	401.64	11.40	-54.76
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3CCCCC3=C2)=C1	REAL300018588532	0	53	0.0	-72.39	416.58	14.70	-57.69
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC(C3CCCCC3)CC2)=C1	REAL300018588533	0	62	0.0	-79.21	442.81	15.72	-63.49
CC(C)CC(C)CC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588534	0	57	0.0	-64.80	424.66	13.53	-51.27
CCC1CCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588535	0	46	0.0	-64.90	358.56	12.13	-52.77
CC1=CC=C(C(C)C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588536	0	52	0.0	-70.26	411.22	14.18	-56.08
COCC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588537	0	47	0.0	-62.76	390.15	10.22	-52.54
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588538	0	56	0.0	-77.59	434.05	13.32	-64.27
CC(C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCCC1	REAL300018588539	0	55	0.0	-68.46	409.66	13.65	-54.81
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588540	0	48	0.0	-87.40	407.97	7.16	-80.24
CCC(CC)(CC)C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588541	0	54	0.0	-68.18	392.50	12.71	-55.47
CC1=CN=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588542	1	42	0.0	-72.42	351.36	7.77	-64.65
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3=CC=CC(Cl)=C3C2)=C1	REAL300018588543	0	50	0.0	-68.39	405.84	14.15	-54.24
CC1=CNC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588544	0	43	0.0	-65.01	355.20	9.54	-55.47
CCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018588545	0	53	0.0	-77.04	420.60	13.06	-63.98
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588546	0	50	0.0	-68.04	403.79	12.23	-55.81
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2CCC3=CC=CC=C3C2)=C1	REAL300018588547	0	53	0.0	-76.68	413.73	14.65	-62.03
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC(C3=CC=C(F)C=C3)C2)=C1	REAL300018588548	0	53	0.0	-74.01	419.97	14.64	-59.37
CC1=NC(C)=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588549	0	45	0.0	-77.26	371.08	8.33	-68.93
COCC1=CSC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588550	0	47	0.0	-59.46	399.37	11.04	-48.42
CCCC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588551	0	49	0.0	-72.12	409.04	13.67	-58.45
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300018588552	0	45	0.0	-75.00	370.33	11.03	-63.97
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=NS2)=C1	REAL300018588553	0	39	0.0	-73.66	338.61	10.04	-63.62
CC(C)N1C=CN=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588554	0	49	0.0	-68.16	394.81	12.01	-56.15
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=CC=C1[N+](=O)[O-]	REAL300018588555	0	48	0.0	-79.92	394.11	13.43	-66.49
COC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=C1Cl	REAL300018588556	0	47	0.0	-78.72	399.51	12.07	-66.65
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588557	0	43	0.0	-71.72	365.81	11.96	-59.76
COC1=CC=CC(C)=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588558	0	50	0.0	-68.77	398.39	12.11	-56.66
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3OC=CC3=CC=C2)=C1	REAL300018588559	0	46	0.0	-73.74	381.25	12.53	-61.21
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)=C1	REAL300018588560	0	50	0.0	-79.78	412.72	13.34	-66.44
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C(C(F)(F)F)S2)=C1	REAL300018588561	0	42	0.0	-81.65	379.90	10.62	-71.03
CC1CSCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588562	0	44	0.0	-64.83	353.59	11.29	-53.54
CCC1=NN(C)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588563	0	49	0.0	-80.24	397.74	11.33	-68.91
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN3CCCCC3=C2)=C1	REAL300018588564	0	50	0.0	-74.69	398.54	11.54	-63.15
CCC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588565	0	49	0.0	-71.93	396.77	13.65	-58.28
COC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588566	0	43	0.0	-61.06	371.36	7.83	-53.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC3=CC=C(Cl)C=C3C2)=C1	REAL300018588567	0	47	0.0	-71.33	392.52	13.78	-57.55
CC1=NC=CN=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588568	0	44	0.0	-77.23	360.45	9.03	-68.20
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3(CC3)CC2)=C1	REAL300018588569	0	50	0.0	-66.09	384.76	12.87	-53.22
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=C(C=N2)OCCO3)=C1	REAL300018588570	0	48	0.0	-72.22	393.40	9.58	-62.64
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C3C=CC(Cl)=CN23)=C1	REAL300018588571	0	46	0.0	-81.65	397.54	13.16	-68.49
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2C[C@@H]3CC[C@@H](C3)C2)=C1	REAL300018588572	0	50	0.0	-65.69	370.78	12.37	-53.32
CC1=CC=CN2C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=CN=C12	REAL300018588573	0	49	0.0	-85.47	402.27	13.25	-72.22
CCN1N=CN=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588574	1	45	0.0	-84.81	368.05	11.36	-73.45
CN1C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CN=C1Cl	REAL300018588575	0	43	0.0	-83.83	370.17	11.08	-72.75
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(C(F)(F)F)=NN2)=C1	REAL300018588576	0	43	0.0	-83.67	374.89	9.55	-74.12
CC1=CN=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N1C	REAL300018588577	0	46	0.0	-81.48	374.46	11.08	-70.40
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=C(F)C=CC=C3N2)=C1	REAL300018588578	0	47	0.0	-75.76	392.20	12.23	-63.53
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=C(F)C=C3N2)=C1	REAL300018588579	0	47	0.0	-81.10	392.10	12.22	-68.88
CCOC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588580	0	49	0.0	-62.45	403.09	9.79	-52.66
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588581	0	46	0.0	-72.61	382.77	13.27	-59.34
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=NC=C3S2)=C1	REAL300018588582	0	45	0.0	-81.37	386.07	11.96	-69.41
CC1=CC=CC2=NC=C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)N21	REAL300018588583	0	49	0.0	-83.31	391.46	13.04	-70.27
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588584	0	55	0.0	-74.42	438.11	12.94	-61.48
CCC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CC1(C)C	REAL300018588585	0	52	0.0	-63.23	393.10	13.13	-50.10
C=CCCCCCC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588586	0	55	0.0	-68.15	428.34	14.21	-53.94
C=CCCCCC(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588587	0	52	0.0	-67.57	406.84	13.43	-54.14
CC1=CC(Cl)=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588588	0	46	0.0	-61.29	392.30	13.36	-47.93
COCC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588589	0	50	0.0	-74.41	409.02	11.94	-62.47
COCC(CC(C)(C)C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588590	0	55	0.0	-72.18	411.95	12.00	-60.18
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)=C1	REAL300018588591	0	48	0.0	-92.57	401.29	12.65	-79.92
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC2=CC=CN=C12	REAL300018588592	0	51	0.0	-82.92	415.20	13.41	-69.51
CC(C)C1CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588593	0	55	0.0	-64.04	402.20	13.55	-50.49
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)SN=N1	REAL300018588594	0	41	0.0	-83.24	352.93	9.37	-73.87
CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1C	REAL300018588595	0	56	0.0	-74.08	446.91	13.99	-60.09
COC1=C(C)C=NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300018588596	0	52	0.0	-68.23	416.86	11.02	-57.21
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588597	0	53	0.0	-73.30	427.59	13.82	-59.48
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCCC23CCCC3)=C1	REAL300018588598	0	56	0.0	-68.33	403.99	13.89	-54.44
CCC1CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588599	0	52	0.0	-53.25	386.00	13.04	-40.21
NC1=C(F)C=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588600	0	45	0.0	-73.29	369.89	10.34	-62.95
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C(F)F)C=C2)=C1	REAL300018588601	0	46	0.0	-77.78	386.12	13.07	-64.71
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)=C1	REAL300018588602	0	45	0.0	-87.51	393.24	10.19	-77.32
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=C2CCC3)=C1	REAL300018588603	0	50	0.0	-73.23	398.51	14.05	-59.18
CN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C([N+](=O)[O-])=N1	REAL300018588604	0	45	0.0	-99.99	382.25	11.58	-88.41
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC(Cl)=CS2)=C1	REAL300018588605	1	39	0.0	-80.62	355.59	9.78	-70.84
COC1=NSC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588606	0	43	0.0	-62.69	371.16	8.13	-54.56
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC=CC3=CC=CC=C32)=C1	REAL300018588607	0	48	0.0	-70.44	391.90	12.51	-57.93
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588608	0	47	0.0	-60.07	396.03	11.98	-48.09
CC1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N1C1=CC=CC=C1	REAL300018588609	0	53	0.0	-73.55	433.06	14.49	-59.06
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=NN1C	REAL300018588610	0	46	0.0	-62.41	373.42	10.47	-51.94
CCCN1N=C(C)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300018588611	0	55	0.0	-71.92	437.84	12.57	-59.35
CCOC1CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C12CCCC2	REAL300018588612	0	57	0.0	-68.04	435.30	13.26	-54.78
CCC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCC1	REAL300018588613	0	49	0.0	-55.29	369.92	12.31	-42.98
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC3CCC(C3)C2)=C1	REAL300018588614	0	50	0.0	-73.10	355.04	13.35	-59.75
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCC23CCCC3)=C1	REAL300018588615	0	53	0.0	-67.35	391.70	13.67	-53.68
CCCC(C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1=CC=CC=C1	REAL300018588616	0	55	0.0	-77.94	431.84	14.84	-63.10
CC1CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC(C2=CC=CC=C2)C1	REAL300018588617	0	59	0.0	-82.33	443.36	16.17	-66.16
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C(C3CC3)O2)=C1	REAL300018588618	0	46	0.0	-76.94	382.54	9.52	-67.42
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588619	0	53	0.0	-70.22	428.56	13.20	-57.02
CC(C)(C)C1CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588620	0	52	0.0	-67.71	394.60	12.74	-54.97
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC3=CC=C(F)C=C3S2)=C1	REAL300018588621	0	45	0.0	-78.00	391.89	11.73	-66.27
COC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC2=CC=CC=C21	REAL300018588622	0	53	0.0	-60.98	428.47	13.82	-47.16
CCOC1=CN=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588623	0	49	0.0	-78.20	400.27	10.62	-67.58
CCOC1=CC(F)=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588624	0	50	0.0	-60.69	411.93	12.49	-48.20
COC1=CC=C(C(C)C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588625	0	53	0.0	-73.19	419.29	12.79	-60.40
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588626	0	50	0.0	-80.76	406.55	11.88	-68.88
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC2CC[N@@H+]3CCCC3C2)=C1	REAL300018588627	1	52	0.0	-69.46	396.01	11.43	-58.03
O=C([O-])C1=CC=CC(C2=CC=CC=C2CNC2CC[N@H+]3CCCC3C2)=C1	REAL300018588627	1	52	0.0	-67.48	390.61	11.67	-55.81
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3(CCCCC3)CC2)=C1	REAL300018588628	0	59	0.0	-66.68	421.94	14.06	-52.62
CC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C(C)C1=CC=CC=C1	REAL300018588629	0	52	0.0	-68.22	404.92	13.86	-54.36
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)=C1	REAL300018588630	0	51	0.0	-76.45	407.45	13.30	-63.15
COC1=CC=CC2=C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C=CC=C12	REAL300018588631	0	53	0.0	-77.04	423.15	13.70	-63.34
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=NN2CC2CC2)=C1	REAL300018588632	0	50	0.0	-79.58	404.76	12.25	-67.33
CC(CCC1=CC=CN=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588633	0	51	0.0	-72.86	406.29	12.55	-60.31
CC(C)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588634	0	52	0.0	-72.05	414.19	14.14	-57.91
CN1N=CN=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588635	1	42	0.0	-67.83	350.31	10.46	-57.37
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588636	1	45	0.0	-72.09	391.21	5.35	-66.74
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3(CCOCC3)CC2)=C1	REAL300018588637	0	57	0.0	-71.49	413.53	11.72	-59.77
COC1=CN=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1C	REAL300018588638	0	49	0.0	-78.52	393.60	10.33	-68.19
NC1=C(Cl)C=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588639	0	45	0.0	-72.44	378.81	10.81	-61.63
CCC1=CNC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588640	0	46	0.0	-64.99	376.63	10.28	-54.71
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CCC2=CC=C(F)C=C2Cl)=C1	REAL300018588641	0	46	0.0	-66.86	395.47	13.46	-53.40
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CN=CC=C3O2)=C1	REAL300018588642	0	45	0.0	-66.01	376.76	10.99	-55.02
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C(F)(F)F)S2)=C1	REAL300018588643	0	43	0.0	-80.92	384.70	12.52	-68.40
CC1=C2C=C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)NC2=CC=C1	REAL300018588644	0	50	0.0	-77.39	406.65	12.80	-64.59
CCOC1CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588645	0	53	0.0	-53.83	405.58	11.69	-42.14
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CSC(C(F)(F)F)=C2)=C1	REAL300018588646	0	43	0.0	-64.26	384.76	12.34	-51.92
CCCOC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018588647	0	56	0.0	-76.84	442.12	13.85	-62.99
CC1=C(C)NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588648	0	46	0.0	-64.44	374.94	10.07	-54.37
CC1=CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588649	0	47	0.0	-57.71	366.39	12.17	-45.54
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3(CCCC3)CC2)=C1	REAL300018588650	0	56	0.0	-67.98	410.79	13.74	-54.24
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C(F)F)N=C2)=C1	REAL300018588651	0	45	0.0	-65.81	382.16	11.31	-54.50
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3=CC=CC=C3CC2)=C1	REAL300018588652	0	53	0.0	-68.17	405.36	14.18	-53.99
CCC1(C)CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588653	0	55	0.0	-65.33	401.13	12.94	-52.39
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCC3=CC=CC=C3C2)=C1	REAL300018588654	0	53	0.0	-66.07	404.95	14.20	-51.87
CN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C(F)F)=N1	REAL300018588655	0	46	0.0	-83.82	383.12	10.79	-73.03
CC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCCCC1	REAL300018588656	0	55	0.0	-66.42	396.99	13.32	-53.10
CCC1(CC)CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588657	0	58	0.0	-68.09	415.67	13.45	-54.64
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=C2CCOC3)=C1	REAL300018588658	0	51	0.0	-79.55	401.23	12.18	-67.37
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2CC2C2=CC=C(F)C=C2)=C1	REAL300018588659	0	50	0.0	-76.20	409.38	14.40	-61.80
CC(CC1=COC2=CC=CC=C12)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588660	0	52	0.0	-64.24	415.83	13.90	-50.34
NS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588661	0	48	0.0	-94.24	408.06	7.16	-87.08
CCCN1N=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588662	0	49	0.0	-79.07	394.03	11.47	-67.60
CC1=CC=C2C=C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)NC2=C1	REAL300018588663	0	50	0.0	-76.85	407.06	12.81	-64.04
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3CCCN3N=C2)=C1	REAL300018588664	0	47	0.0	-79.54	380.42	10.81	-68.73
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN3CCCC3=C2)=C1	REAL300018588665	0	47	0.0	-61.98	380.69	10.71	-51.27
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC=C(C(F)(F)F)S2)=C1	REAL300018588666	1	42	0.0	-79.12	379.18	10.53	-68.59
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588667	0	51	0.0	-93.02	410.48	13.80	-79.22
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCCC(C3=CC=CC=C3)C2)=C1	REAL300018588668	0	59	0.0	-70.50	440.96	15.39	-55.11
CC(C)C1CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588669	0	52	0.0	-68.38	393.78	12.87	-55.51
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=CN=C3O2)=C1	REAL300018588670	0	45	0.0	-88.01	376.48	9.69	-78.32
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=C1N1C=NC=N1	REAL300018588671	0	52	0.0	-82.19	427.88	15.78	-66.41
CC1CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588672	0	52	0.0	-59.39	384.31	12.57	-46.82
CCC1CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588673	0	55	0.0	-59.79	402.27	13.21	-46.58
CC1(C)CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588674	0	55	0.0	-67.53	393.60	12.78	-54.75
CC(C)(C)C1CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018588675	0	61	0.0	-66.47	433.39	14.02	-52.45
CC1CC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CCN1C	REAL300018588676	1	51	0.0	-64.90	385.64	9.65	-55.25
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC(F)=CC=C3O2)=C1	REAL300018588677	0	46	0.0	-80.47	388.12	12.81	-67.66
CC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C1CCCO1	REAL300018588678	0	47	0.0	-70.02	363.93	10.01	-60.01
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(OCC(F)F)C=C2)=C1	REAL300018588679	0	50	0.0	-75.86	418.08	12.76	-63.10
COCC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588680	0	50	0.0	-73.69	409.04	11.94	-61.75
CN(C)CC1=NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CS1	REAL300018588681	1	50	0.0	-61.03	416.54	8.90	-52.13
CC1=CC=C(CC[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1	REAL300018588682	0	49	0.0	-68.35	396.72	13.66	-54.69
CCCCC(C)C(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588683	0	54	0.0	-65.20	407.37	13.22	-51.98
COC1=CC(C)=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1OC	REAL300018588684	0	54	0.0	-78.94	427.40	12.02	-66.92
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC=C2C2CC2)=C1	REAL300018588685	0	50	0.0	-73.89	397.03	14.21	-59.68
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CCC2=CC=C(F)C=C2F)=C1	REAL300018588686	0	46	0.0	-67.28	387.17	13.08	-54.20
CC1=CC(CC[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC(C)=C1	REAL300018588687	0	52	0.0	-68.35	418.13	14.31	-54.04
CC(CCC1=CSC=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588688	0	49	0.0	-70.32	401.44	13.27	-57.05
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CNN=C2C2=CSC=C2)=C1	REAL300018588689	0	47	0.0	-71.69	401.05	11.04	-60.65
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)=C1	REAL300018588690	0	49	0.0	-84.51	410.01	10.45	-74.06
CC(CC1=CN(C)N=C1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588691	0	49	0.0	-85.54	390.80	11.57	-73.97
CN1N=CC2=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=CN=C21	REAL300018588692	0	48	0.0	-87.26	398.29	11.35	-75.91
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588693	0	52	0.0	-69.08	422.75	14.45	-54.63
COCC(CC1CCOCC1)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588694	0	57	0.0	-79.56	423.51	11.07	-68.49
CN1C=C(CCC[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588695	0	49	0.0	-76.94	399.80	11.57	-65.37
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)=N2	REAL300018588696	0	52	0.0	-74.88	423.13	12.57	-62.31
CCC1=CN=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)S1	REAL300018588697	0	45	0.0	-74.21	382.01	10.93	-63.28
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(F)N=C2)=C1	REAL300018588698	0	42	0.0	-80.00	355.25	10.38	-69.62
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3COCCC3C2)=C1	REAL300018588699	0	54	0.0	-67.11	399.13	11.76	-55.35
CC1(C)CC2(CC([NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C2)CO1	REAL300018588700	0	54	0.0	-70.72	417.84	11.77	-58.95
CC1CC2(CC([NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C2)CO1	REAL300018588701	0	51	0.0	-69.48	397.81	11.09	-58.39
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCOC3=CC=CC=C3C2)=C1	REAL300018588702	0	51	0.0	-68.82	398.82	12.44	-56.38
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCCC3=C(C=CS3)C2)=C1	REAL300018588703	0	50	0.0	-66.49	397.87	13.39	-53.10
CN1C=NC2=CC=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=C21	REAL300018588704	0	49	0.0	-86.34	391.27	13.78	-72.56
COC1=CC=C(C)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588705	0	50	0.0	-74.99	398.22	12.13	-62.86
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NOC(C3CCC3)=C2)=C1	REAL300018588706	1	49	0.0	-67.59	398.96	12.46	-55.13
CC1(C2=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=NO2)CC1	REAL300018588707	1	49	0.0	-78.41	401.53	12.37	-66.04
CCC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588708	0	49	0.0	-73.47	387.66	13.50	-59.97
CC1=CC(F)=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588709	0	46	0.0	-62.61	381.98	12.93	-49.68
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C)=C1C	REAL300018588710	0	52	0.0	-71.80	404.00	13.95	-57.85
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588711	0	55	0.0	-72.92	406.51	14.77	-58.15
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C3CCCCCN23)=C1	REAL300018588712	0	53	0.0	-82.84	409.89	12.61	-70.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CON=C2C2CC2)=C1	REAL300018588713	0	46	0.0	-78.48	382.08	11.82	-66.66
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(C3=CC=CC=C3)=NO2)=C1	REAL300018588714	0	49	0.0	-78.79	408.77	13.37	-65.42
CCN1CCC2=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=CC=C21	REAL300018588715	0	55	0.0	-74.85	433.28	12.84	-62.01
CC1(C)CC2(CO1)CCC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)CC2	REAL300018588716	0	60	0.0	-73.35	441.89	12.53	-60.82
CSC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1Cl	REAL300018588717	0	47	0.0	-74.63	409.19	13.68	-60.95
CC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=C1C1CC1	REAL300018588718	0	53	0.0	-72.81	421.01	14.84	-57.97
CCOC1=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=N1	REAL300018588719	0	49	0.0	-81.94	402.91	9.86	-72.08
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1C1CC1	REAL300018588720	0	53	0.0	-72.46	420.32	14.84	-57.62
CC(C)CC1CCCC1[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588721	0	55	0.0	-66.17	409.80	13.98	-52.19
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC(C3CCC3)C2)=C1	REAL300018588722	0	50	0.0	-66.60	388.21	13.11	-53.49
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=C(C3CCOCC3)O2)=C1	REAL300018588723	0	53	0.0	-78.97	426.09	8.67	-70.30
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NOC(C3CC3)=C2)=C1	REAL300018588724	1	46	0.0	-78.37	382.40	11.94	-66.43
CC1OC2=CC=C(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C=C2C1C	REAL300018588725	0	54	0.0	-75.50	427.38	13.32	-62.18
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1OC(F)F	REAL300018588726	0	50	0.0	-62.20	413.58	12.53	-49.67
CC(C)C1=CC=C(O)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588727	0	53	0.0	-68.52	421.76	11.49	-57.03
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)NN=C1C(F)(F)F	REAL300018588728	0	46	0.0	-64.00	391.54	10.16	-53.84
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3(CCC3)CC2)=C1	REAL300018588729	0	53	0.0	-65.63	396.70	13.24	-52.39
CC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1O	REAL300018588730	0	47	0.0	-73.69	385.07	10.12	-63.57
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC(C3CC3)=CS2)=C1	REAL300018588731	0	46	0.0	-68.67	389.46	11.42	-57.25
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN(CC3CC3)N=N2)=C1	REAL300018588732	1	49	0.0	-69.53	403.35	11.11	-58.42
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3CCOC3=C2)=C1	REAL300018588733	0	48	0.0	-57.63	389.99	12.04	-45.59
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC3=C(CCCC3)N2)=C1	REAL300018588734	0	50	0.0	-81.58	396.78	11.28	-70.30
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3COCCC3=C2)=C1	REAL300018588735	0	51	0.0	-75.85	407.60	12.30	-63.55
CC1=CC=CC(F)=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588736	0	46	0.0	-73.64	375.52	12.77	-60.87
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC=C2C2CCC2)=C1	REAL300018588737	0	53	0.0	-79.48	412.29	14.97	-64.51
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)=C1	REAL300018588738	0	51	0.0	-81.96	418.26	12.06	-69.90
CSC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588739	0	47	0.0	-77.15	394.18	13.23	-63.92
CC(C)(C)N1N=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588740	0	52	0.0	-79.62	404.32	11.61	-68.01
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CCC3=CC(Cl)=CC=C3C2)=C1	REAL300018588741	0	50	0.0	-72.39	408.42	14.25	-58.14
CC1(C)C2CC([NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)CC21	REAL300018588742	0	50	0.0	-65.36	379.67	12.71	-52.65
CC(C)C1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N(C)N=C1	REAL300018588743	0	52	0.0	-78.19	416.31	11.72	-66.47
CCC([NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1)C(C)CC1=CC=CC=C1	REAL300018588744	0	58	0.0	-79.52	436.41	15.51	-64.01
CCN1C=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588745	0	46	0.0	-60.98	378.26	10.79	-50.19
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(CC3CC3)S2)=C1	REAL300018588746	0	50	0.0	-58.62	419.35	14.45	-44.17
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(OC3CC3)C=C2)=C1	REAL300018588747	0	51	0.0	-74.51	414.39	13.18	-61.33
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)=C1	REAL300018588748	0	57	0.0	-73.50	448.83	16.24	-57.26
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)OC2=CC=C(F)C=C12	REAL300018588750	0	49	0.0	-80.08	407.77	13.40	-66.68
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588751	0	49	0.0	-86.40	410.25	14.38	-72.02
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588752	0	53	0.0	-83.40	434.30	13.34	-70.06
CCCN1C=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588753	0	49	0.0	-60.96	399.76	11.55	-49.41
CC(C)N1C=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588754	0	49	0.0	-60.41	396.93	11.31	-49.10
CC(C)(C)C1=CN=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588755	0	54	0.0	-73.52	425.34	12.71	-60.81
CCC(CC)C(C)[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588756	0	51	0.0	-66.11	379.55	12.43	-53.68
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN(CC(F)(F)F)C=C2)=C1	REAL300018588757	0	46	0.0	-77.95	396.11	11.29	-66.66
CN1C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=NC2=C1CCCC2	REAL300018588758	0	53	0.0	-82.76	416.76	12.89	-69.87
CN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=N1	REAL300018588759	0	46	0.0	-85.78	389.64	10.91	-74.87
CC1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588760	0	45	0.0	-75.71	370.59	11.00	-64.71
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CC=CC=C3C=N2)=C1	REAL300018588761	0	48	0.0	-68.59	395.12	12.64	-55.95
COC1=NC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=CC=C1C	REAL300018588762	0	49	0.0	-69.22	401.28	9.61	-59.61
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC(C(F)F)=C2F)=C1	REAL300018588763	0	46	0.0	-68.82	389.73	13.09	-55.73
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=CC3=C2COCC3)=C1	REAL300018588764	0	51	0.0	-76.69	401.19	12.21	-64.48
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588765	0	50	0.0	-78.26	419.58	13.30	-64.96
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=C(CCCC3)O2)=C1	REAL300018588766	0	50	0.0	-74.31	398.11	13.03	-61.28
CCC(C)N1N=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588767	0	52	0.0	-80.63	415.04	11.96	-68.67
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CN(C3CCCCC3)N=C2)=C1	REAL300018588768	0	56	0.0	-57.10	438.82	13.25	-43.85
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC3CCCCC3C2)=C1	REAL300018588769	0	53	0.0	-66.12	397.75	13.39	-52.73
COC1=CC(C)=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588770	0	49	0.0	-61.96	396.43	9.52	-52.44
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NC3=CC=CC=C3S2)=C1	REAL300018588771	0	45	0.0	-77.76	385.48	11.67	-66.09
COC1=CC=CC(C2CC([NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C2)=C1	REAL300018588772	0	54	0.0	-71.30	427.12	13.28	-58.02
CC1=NOC(C2CC([NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)C2)=N1	REAL300018588773	0	48	0.0	-73.08	391.34	9.61	-63.47
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC(C3CCOCC3)C2)=C1	REAL300018588774	0	54	0.0	-69.92	415.07	11.94	-57.98
CCCN1C=NC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588775	0	49	0.0	-80.01	392.85	13.09	-66.92
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC=CC2=CC=C3OCOC3=C2)=C1	REAL300018588776	0	50	0.0	-79.14	410.92	12.16	-66.98
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(CC3CCC3)C=C2)=C1	REAL300018588777	0	56	0.0	-57.41	445.14	15.74	-41.67
COC1=CC=C(CC(C)[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C)=C1	REAL300018588778	0	56	0.0	-83.92	432.98	13.58	-70.34
CCC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=NN1CC	REAL300018588779	0	52	0.0	-79.94	412.16	12.43	-67.51
CC1=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C(F)(F)F)=CO1	REAL300018588780	0	46	0.0	-64.26	393.49	11.98	-52.28
CC(F)(F)C1=CC=CC(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588781	0	49	0.0	-81.82	407.16	13.74	-68.08
CN1C=C(C2=NNC=C2C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=N1	REAL300018588782	0	50	0.0	-70.62	413.96	10.14	-60.48
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC3CCCCCC3C2)=C1	REAL300018588783	0	56	0.0	-65.87	408.72	13.85	-52.02
CC1CCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)CC2=CC=CC=C21	REAL300018588784	0	56	0.0	-66.43	421.71	14.65	-51.78
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)=C1	REAL300018588785	0	50	0.0	-75.07	419.50	14.62	-60.45
C=CCC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588786	0	50	0.0	-75.29	401.35	14.08	-61.21
COCC1=CC=CC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588787	0	50	0.0	-81.90	399.30	12.35	-69.55
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C3CCOCC3=C2)=C1	REAL300018588788	0	51	0.0	-75.20	407.60	12.30	-62.90
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)=C1	REAL300018588789	0	49	0.0	-83.20	408.44	10.38	-72.82
COC1=CC=C(F)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1OC	REAL300018588790	0	51	0.0	-68.44	417.17	11.62	-56.82
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC=CC2=CC=NC=C2)=C1	REAL300018588791	0	46	0.0	-75.57	379.77	11.76	-63.81
CCN1C=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C(C2CC2)=N1	REAL300018588792	0	53	0.0	-57.39	430.18	13.05	-44.34
CCC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)N=C1	REAL300018588793	0	48	0.0	-66.60	391.88	11.81	-54.79
CC(C)(C)C1=NOC=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588794	0	51	0.0	-74.54	397.70	12.02	-62.52
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC3=CN=CC=C3C=C2)=C1	REAL300018588795	0	48	0.0	-80.04	394.88	12.69	-67.35
CC1=CC2=CC=CC(C[NH2+]CC3=CC=CC=C3C3=CC=CC(C(=O)[O-])=C3)=C2O1	REAL300018588796	0	49	0.0	-73.48	403.72	13.37	-60.11
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CON=C2C2CCC2)=C1	REAL300018588797	0	49	0.0	-82.00	397.38	12.25	-69.75
CC(C)OC1=CC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1F	REAL300018588798	0	53	0.0	-75.31	430.09	13.17	-62.14
CC1=NN(C2CCCC2)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=C1	REAL300018588799	0	56	0.0	-81.83	442.19	13.29	-68.54
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=NN2CC(F)F)=C1	REAL300018588800	0	46	0.0	-72.19	382.66	11.08	-61.11
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN(C3CCC3)C=C2)=C1	REAL300018588802	0	50	0.0	-60.67	402.37	11.88	-48.79
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN(CC(F)F)C=C2)=C1	REAL300018588803	0	46	0.0	-75.17	391.34	11.08	-64.09
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN(C3CC3(F)F)C=C2)=C1	REAL300018588804	0	47	0.0	-84.01	399.74	11.66	-72.35
CC1=CN(C)C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)=N1	REAL300018588805	0	46	0.0	-81.86	375.74	11.18	-70.68
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]C2CC3CCCC(C3)C2)=C1	REAL300018588806	0	53	0.0	-65.52	387.64	13.00	-52.52
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=NN(C3CCCC3)C=C2)=C1	REAL300018588807	0	53	0.0	-74.77	419.61	12.57	-62.20
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3OC=CC3=C(F)C=C2)=C1	REAL300018588808	0	46	0.0	-78.66	387.82	12.60	-66.06
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C3OC=CC3=CC(Cl)=C2)=C1	REAL300018588809	0	46	0.0	-72.27	397.98	13.04	-59.23
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC=CC2=CC=CC=C2)=C1	REAL300018588810	0	47	0.0	-72.34	385.02	13.52	-58.82
CN1N=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C=C1C1=CC=CO1	REAL300018588811	0	50	0.0	-63.33	415.45	11.54	-51.79
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)=C1	REAL300018588812	0	46	0.0	-67.89	393.95	11.28	-56.61
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)=C1	REAL300018588813	0	59	0.0	-72.40	455.82	16.02	-56.38
CC1=NN(C2CCC2)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588814	0	53	0.0	-78.99	421.53	12.58	-66.41
COC1=CC=CC=C1C=CC[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588815	0	51	0.0	-72.93	413.23	12.87	-60.06
O=C([O-])C1=CC=CC(C2=CC=CC=C2C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)=C1	REAL300018588816	0	51	0.0	-81.90	423.16	12.56	-69.34
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588817	0	50	0.0	-87.31	417.50	11.47	-75.84
CC(C)(C)N1CCCC([NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588818	0	57	0.0	-66.53	417.57	10.71	-55.82
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CC(C)(C)[N@H+]1CCCC(NCC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)C1	REAL300018588818	1	57	0.0	-56.32	413.95	12.13	-44.19
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CCCN1N=C(C)C=C1C[NH2+]CC1=CC=CC=C1C1=CC=CC(C(=O)[O-])=C1	REAL300018588840	0	52	0.0	-79.22	416.13	12.04	-67.18
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CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=CC=C2C2=CC=CC(C(=O)[O-])=C2)O1	REAL300018588842	0	51	0.0	-76.32	413.01	9.71	-66.61
CC(C)(CC[NH2+]C(C1=CC=CC(Cl)=C1)C1=CC=CC(C(F)(F)F)=C1)C(=O)[O-]	REAL300018588843	0	48	0.0	-66.85	401.86	12.72	-54.13
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CC1CC([NH2+]C(C2=CC=CC(Cl)=C2)C2=CC=CC=C2F)CCC1C(=O)[O-]	REAL300018588869	0	49	0.0	-59.62	387.43	13.28	-46.34
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CC(CC(C)(C)CC(=O)[O-])[NH2+]C(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300018588874	0	51	0.0	-57.37	385.66	13.07	-44.30
CC1C(CC(=O)[O-])CCC1[NH2+]C(C1=CC=CC(Cl)=C1)C1=CC=CC=C1F	REAL300018588875	0	49	0.0	-64.23	388.57	12.94	-51.29
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COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2)C2=CC=CC=C12	REAL300018588889	0	43	0.0	-87.45	350.59	10.31	-77.14
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COC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=C(C)O2)C2=CC=CC=C12	REAL300018588891	0	43	0.0	-75.07	351.64	9.28	-65.79
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COC1=CC=C(C[NH2+]CC2=CN(CC(=O)[O-])N=N2)C2=CC=CC=C12	REAL300018588896	1	42	0.0	-74.58	347.33	7.14	-67.44
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=CC=C12	REAL300018588897	0	40	0.0	-76.63	333.40	8.80	-67.83
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=CC=C12	REAL300018588898	0	40	0.0	-76.63	333.40	8.80	-67.83
COC1=CC=C(C[NH2+]CCC(C)(C)C(=O)[O-])C2=CC=CC=C12	REAL300018588899	0	45	0.0	-67.63	345.54	9.08	-58.55
COC1=CC=C(C[NH2+]CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C2=CC=CC=C12	REAL300018588900	0	50	0.0	-89.44	410.53	12.15	-77.29
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COC1=CC=C(C[NH2+]C2CCC(C(=O)[O-])CC2)C2=CC=CC=C12	REAL300018588902	0	46	0.0	-71.78	349.77	9.69	-62.09
COC1=CC=C(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018588903	0	43	0.0	-78.10	350.60	10.30	-67.80
COC1=CC=C(C[NH2+]CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C2=CC=CC=C12	REAL300018588904	0	50	0.0	-59.65	405.38	11.54	-48.11
COC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=NN2)C2=CC=CC=C12	REAL300018588905	0	40	0.0	-85.33	332.00	6.74	-78.59
COC1=CC=C(C[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C2=CC=CC=C12	REAL300018588906	0	53	0.0	-89.42	425.75	12.13	-77.29
COC1=CC=C(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)C2=CC=CC=C12	REAL300018588907	1	54	0.0	-73.91	405.84	8.87	-65.04
COC1=CC=C(C[NH2+]CC2=C(C)N(CCC(=O)[O-])N=C2C)C2=CC=CC=C12	REAL300018588908	0	52	0.0	-78.87	413.92	10.01	-68.86
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COC1=CC=C(C[NH2+]CC2=CSC(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018588911	0	40	0.0	-76.52	341.13	9.36	-67.16
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COC1=CC=C(C[NH2+]CC2=CC=C(C=CC(=O)[O-])O2)C2=CC=CC=C12	REAL300018588919	0	44	0.0	-87.81	367.90	8.40	-79.41
COC1=CC=C(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)C2=CC=CC=C12	REAL300018588920	0	49	0.0	-68.64	376.53	10.40	-58.24
COC1=CC=C(C[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)C2=CC=CC=C12	REAL300018588921	0	46	0.0	-68.55	360.67	9.92	-58.63
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COC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=NN2C)C2=CC=CC=C12	REAL300018588934	0	43	0.0	-89.47	352.45	7.96	-81.51
COC1=CC=C(C[NH2+]CC2=CC=C(CCC(=O)[O-])O2)C2=CC=CC=C12	REAL300018588935	0	46	0.0	-76.59	375.39	10.19	-66.40
COC1=CC=C(C[NH2+]CC2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018588936	0	43	0.0	-84.91	355.14	10.33	-74.58
COC1=CC=C(C[NH2+]C2CC(CCC(=O)[O-])C2)C2=CC=CC=C12	REAL300018588937	0	46	0.0	-70.73	360.41	10.13	-60.60
COC1=CC=C(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C2=CC=CC=C12	REAL300018588938	0	43	0.0	-88.15	378.83	10.99	-77.16
COC1=CC=C(C[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C2=CC=CC=C12	REAL300018588939	0	45	0.0	-106.96	373.39	9.25	-97.71
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])N=C2)C2=CC=CC=C12	REAL300018588940	0	42	0.0	-90.30	346.30	8.51	-81.79
COC1=CC=C(C[NH2+]CC2=CC(Cl)=CC=C2OC(C)C(=O)[O-])C2=CC=CC=C12	REAL300018588941	0	50	0.0	-55.16	414.71	11.71	-43.45
COC1=CC=C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C2=CC=CC=C12	REAL300018588942	0	43	0.0	-69.83	361.16	10.35	-59.48
COC1=CC=C(C[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)C2=CC=CC=C12	REAL300018588943	0	46	0.0	-69.69	377.44	10.72	-58.97
COC1=CC=C(C[NH2+]CC2=CN=C(C(=O)[O-])C=C2C)C2=CC=CC=C12	REAL300018588944	0	45	0.0	-90.48	361.52	9.13	-81.35
COC1=CC=C(C[NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300018588945	0	46	0.0	-73.50	353.61	9.99	-63.51
COC1=CC=C(C[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)C2=CC=CC=C12	REAL300018588946	0	46	0.0	-86.89	376.27	10.01	-76.88
COC1=CC=C(C[NH2+]CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C2=CC=CC=C12	REAL300018588947	0	50	0.0	-75.46	397.46	9.89	-65.57
COC1=CC=C(C[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C2=CC=CC=C12	REAL300018588948	0	50	0.0	-87.89	398.45	10.20	-77.69
COC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)C2=CC=CC=C12	REAL300018588949	0	46	0.0	-77.35	389.64	11.31	-66.04
COC1=CC=C(C[NH2+]CC2=CC(C(=O)[O-])=CC=C2O)C2=CC=CC=C12	REAL300018588950	0	44	0.0	-73.75	358.18	7.70	-66.05
COC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])C=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588951	0	47	0.0	-84.55	397.64	12.25	-72.30
COC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=C(C)O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588952	1	47	0.0	-73.31	398.69	11.23	-62.08
COC1=CC=C(C([NH2+]CC2=C(C(=O)[O-])OC=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588953	1	44	0.0	-50.74	368.03	10.28	-40.46
COC1=CC=C(C([NH2+]C2CCN(CC(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588954	0	52	0.0	-69.99	409.91	9.46	-60.53
COC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=CO2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588955	1	44	0.0	-72.87	380.71	10.50	-62.37
COC1=CC=C(C([NH2+]C2CCC(C(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588956	0	50	0.0	-61.32	388.54	11.74	-49.58
COC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588958	1	44	0.0	-71.97	380.45	10.74	-61.23
COC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588959	1	44	0.0	-71.97	380.45	10.74	-61.23
COC1=CC=C(C([NH2+]CCC(C)(C)C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018588960	0	49	0.0	-66.10	393.17	11.05	-55.05
COC1=CC=C(C([NH2+]C2CCC(C(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588961	0	50	0.0	-61.32	388.54	11.74	-49.58
COC1=CC=C(C([NH2+]CC2=CC=CC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588962	0	47	0.0	-78.91	397.64	12.24	-66.67
COC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=NN2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588963	1	44	0.0	-83.46	379.04	8.67	-74.79
COC1=CC=C(C([NH2+]CC2=CSC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588964	0	44	0.0	-76.42	388.22	11.31	-65.11
COC1=CC=C(C([NH2+]C2CCC(CC(=O)[O-])CC2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588965	0	53	0.0	-66.72	406.93	12.38	-54.34
COC1=CC=C(C([NH2+]CC2=CC=CC(C(=O)[O-])=N2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588967	1	46	0.0	-77.33	393.48	10.42	-66.91
COC1=CC=C(C([NH2+]C(C)C2CC2C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018588969	0	47	0.0	-55.38	377.03	11.02	-44.36
COC1=CC=C(C([NH2+]C2CC(CC(=O)[O-])C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588970	0	47	0.0	-66.33	384.85	11.20	-55.13
COC1=CC=C(C([NH2+]C2CCC(C(=O)[O-])C(C)C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588971	0	53	0.0	-75.40	406.87	11.85	-63.55
COC1=CC=C(C([NH2+]CC2=CC=C(C=CC(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588972	1	48	0.0	-84.27	414.94	10.34	-73.93
COC1=CC=C(C([NH2+]CC2=C(C)OC(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588973	1	47	0.0	-74.99	396.25	11.28	-63.71
COC1=CC=C(C([NH2+]CC2=CC(C)=C(C(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588974	1	47	0.0	-76.26	398.42	11.34	-64.92
COC1=CC=C(C([NH2+]C(C)CC(C)(C)CC(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018588975	0	55	0.0	-66.71	413.63	11.98	-54.73
COC1=CC=C(C([NH2+]C2CCC(CC(=O)[O-])C2C)C2=CC=C(Cl)C=C2)C=C1	REAL300018588976	0	53	0.0	-70.16	414.20	12.23	-57.93
COC1=CC=C(C([NH2+]C2CC(C)(C(=O)[O-])C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588977	0	47	0.0	-59.66	384.81	10.97	-48.69
COC1=CC=C(C([NH2+]CC2=CN(C)N=C2C(=O)[O-])C2=CC=C(Cl)C=C2)C=C1	REAL300018588978	1	47	0.0	-52.83	397.64	10.08	-42.75
CCC1=C(C(=O)[O-])C=C(C[NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=C(OC)C=C2)O1	REAL300018588979	1	50	0.0	-72.58	420.18	12.01	-60.57
COC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])C=N2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588980	1	46	0.0	-76.46	392.78	10.41	-66.05
COC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=NN2C)C2=CC=C(Cl)C=C2)C=C1	REAL300018588981	1	47	0.0	-87.69	399.55	9.92	-77.77
COC1=CC=C(C([NH2+]CC2=CC=C(CCC(=O)[O-])O2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588982	1	50	0.0	-74.08	422.45	12.13	-61.95
COC1=CC=C(C([NH2+]CC2=CC=C(F)C(C(=O)[O-])=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588983	0	47	0.0	-85.06	402.19	12.27	-72.79
COC1=CC=C(C([NH2+]C2CC(CCC(=O)[O-])C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588984	0	50	0.0	-71.67	406.73	12.00	-59.67
COC1=CC=C(C([NH2+]CC2=CC=C(C(=O)[O-])N=C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588985	1	46	0.0	-87.59	393.39	10.46	-77.13
COC1=CC=C(C([NH2+]CC2=CN=C(C(=O)[O-])C=C2C)C2=CC=C(Cl)C=C2)C=C1	REAL300018588986	0	49	0.0	-84.58	403.43	10.86	-73.72
COC1=CC=C(C([NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)C2=CC=C(Cl)C=C2)C=C1	REAL300018588987	0	50	0.0	-76.82	402.28	11.92	-64.90
COC1=CC=C(C([NH2+]CC2=CC(C(=O)[O-])=CC=C2O)C2=CC=C(Cl)C=C2)C=C1	REAL300018588988	0	48	0.0	-72.98	404.60	9.67	-63.31
O=C([O-])CC1(C[NH2+]CC2=CN(C3=CC=C(F)C(Cl)=C3)N=N2)CC1	REAL300018588989	0	39	0.0	-52.76	345.75	8.33	-44.43
O=C([O-])CC1(C[NH2+]CC2=NC=C(Br)C=C2Br)CC1	REAL300018588990	0	32	0.0	-46.30	304.71	7.20	-39.10
COC1=CC=C(OC2=CC=C(C[NH2+]CC3(CC(=O)[O-])CC3)C=C2)C=C1	REAL300018588991	0	48	0.0	-54.33	389.13	10.11	-44.22
CN1C=C(C[NH2+]CC2(CC(=O)[O-])CC2)C(C2CCCCC2)=N1	REAL300018588992	0	49	0.0	-53.63	376.92	9.49	-44.14
O=C([O-])CC1(C[NH2+]CC2=CN(CC3=CC=CN=C3)N=N2)CC1	REAL300018588993	0	41	0.0	-54.86	343.24	6.50	-48.36
O=C([O-])CC1(C[NH2+]CC2=CN(C3=CC=C(Cl)C(Cl)=C3)N=N2)CC1	REAL300018588994	0	39	0.0	-52.29	355.06	8.74	-43.55
O=C([O-])CC1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C(F)=C2)CC1	REAL300018588995	0	40	0.0	-57.86	347.41	8.69	-49.17
NC1=C(Br)C=C(Br)C=C1C[NH2+]CC1(CC(=O)[O-])CC1	REAL300018588996	0	35	0.0	-51.95	320.39	7.29	-44.66
CC1=NNC(C)=C1S(=O)(=O)N1CCC([NH2+]CC2(CC(=O)[O-])CC2)CC1	REAL300018588997	0	51	0.0	-58.88	395.42	4.70	-54.18
O=C([O-])CC1(C[NH2+]C(CCC2=CC=CC=C2)CC2=CC=CC=C2)CC1	REAL300018588998	0	52	0.0	-51.84	404.72	13.62	-38.22
O=C([O-])CC1(C[NH2+]CC2=C(Br)C=CS2)CC1	REAL300018588999	0	30	0.0	-48.84	279.74	7.59	-41.25
O=C([O-])CC1(C[NH2+]CC2=CC(Br)=CC3=C2OCC3)CC1	REAL300018589000	0	38	0.0	-49.92	327.33	8.37	-41.55
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])CC2=C1	REAL300018590360	0	39	0.0	-87.30	339.61	10.98	-76.32
CC1(C)CC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC(C)(C)C1	REAL300018590361	0	52	0.0	-83.41	372.68	11.18	-72.23
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4=CC(Br)=CC=C4C3)CC2=C1	REAL300018590362	0	44	0.0	-92.62	361.27	12.00	-80.62
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590363	0	50	0.0	-87.33	391.73	12.07	-75.26
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(Cl)=C1OC	REAL300018590364	0	45	0.0	-88.41	377.42	9.65	-78.76
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=CC=CS4)C=C3)CC2=C1	REAL300018590365	0	44	0.0	-90.58	370.44	12.52	-78.06
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=CC=C4S3)CC2=C1	REAL300018590366	0	40	0.0	-88.18	340.46	11.44	-76.74
CC(C)OC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590367	0	47	0.0	-89.21	372.36	10.74	-78.47
CCCCCCCOC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590368	0	59	0.0	-89.18	461.92	14.04	-75.14
CC(C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018590369	0	58	0.0	-86.92	436.05	14.26	-72.66
O=C([O-])C1=CC=C2CC([NH2+]CC3=C4NC=CC4=CC=C3)CC2=C1	REAL300018590370	0	41	0.0	-89.19	334.44	9.90	-79.29
O=C([O-])C1=CC=C2CC([NH2+]CC3=CSC([N+](=O)[O-])=C3)CC2=C1	REAL300018590371	0	36	0.0	-103.92	323.13	9.70	-94.22
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3N3CCOCC3)CC2=C1	REAL300018590372	0	50	0.0	-84.74	387.39	9.42	-75.32
CC(C)CC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590373	0	49	0.0	-86.00	384.22	12.58	-73.42
CC1=CC=C(C2=CC=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=C2)C=C1	REAL300018590374	0	50	0.0	-90.20	398.69	13.97	-76.23
COC1=CC=C(Br)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590375	0	41	0.0	-81.35	347.73	9.73	-71.62
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1[N+](=O)[O-]	REAL300018590376	0	43	0.0	-106.13	358.60	10.64	-95.49
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(Cl)=CC(Cl)=C3)CC2=C1	REAL300018590377	0	37	0.0	-93.13	336.54	10.91	-82.22
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590378	0	50	0.0	-89.31	399.15	13.97	-75.34
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(OC(F)F)=C3)CC2=C1	REAL300018590379	0	41	0.0	-92.28	342.33	9.48	-82.80
CCOC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1OCC	REAL300018590380	0	51	0.0	-93.58	405.53	10.93	-82.65
CC(C)C1CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590381	0	49	0.0	-82.75	357.66	11.01	-71.74
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)CC2=C1	REAL300018590382	0	40	0.0	-98.69	354.97	11.31	-87.38
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(F)C=C3Br)CC2=C1	REAL300018590383	0	37	0.0	-86.98	325.76	10.51	-76.47
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C4OC(F)(F)OC4=C3)CC2=C1	REAL300018590384	0	40	0.0	-100.49	342.68	9.00	-91.49
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=NC4=CC=CC=C34)CC2=C1	REAL300018590385	0	42	0.0	-95.63	338.96	10.12	-85.51
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(OC(F)(F)F)=C3)CC2=C1	REAL300018590386	0	41	0.0	-92.69	349.07	9.70	-82.99
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590387	0	43	0.0	-100.07	363.77	7.41	-92.66
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590388	0	51	0.0	-89.92	411.28	12.96	-76.96
CC(CCOCC1=CC=CC=C1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590389	0	50	0.0	-85.70	388.82	11.11	-74.59
O=C([O-])C1=CC=C2CC([NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)CC2=C1	REAL300018590390	0	44	0.0	-90.92	361.28	12.06	-78.86
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)CC2=C1	REAL300018590391	0	47	0.0	-91.10	394.01	13.84	-77.26
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)CC2=C1	REAL300018590392	0	47	0.0	-92.29	394.01	13.83	-78.46
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C2=CC=CC=C12	REAL300018590393	0	47	0.0	-91.33	372.41	11.38	-79.95
CCC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)S1	REAL300018590394	0	40	0.0	-84.45	336.67	10.59	-73.86
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CC(C)OC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590468	0	47	0.0	-90.03	372.34	10.74	-79.29
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CC(C)C1=NC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CS1	REAL300018590471	0	42	0.0	-83.63	350.60	8.90	-74.73
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CC1(C)CCCC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300018590545	0	49	0.0	-86.16	358.06	11.11	-75.05
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CC1=CC=CC=C1CC(C)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590550	0	46	0.0	-81.12	353.66	11.62	-69.50
CC1=CC=CC(CC(C)[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590551	0	46	0.0	-80.87	359.06	11.89	-68.98
COC1=CC2=C(C=C1C[NH2+]C1CC3=CC=C(C(=O)[O-])C=C3C1)OCO2	REAL300018590552	0	44	0.0	-88.18	357.19	7.91	-80.27
COC1=CC(Cl)=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1OC	REAL300018590553	0	45	0.0	-87.41	373.40	9.54	-77.87
COC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)SC=C1	REAL300018590554	0	38	0.0	-79.20	323.20	8.30	-70.90
CC(C)COC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590555	0	50	0.0	-87.30	396.04	11.61	-75.69
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(OCCN4CCOCC4)C=C3)CC2=C1	REAL300018590556	0	57	0.0	-91.04	443.10	8.77	-82.27
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(F)C4=CC=CC=C34)CC2=C1	REAL300018590557	0	43	0.0	-95.22	349.61	12.06	-83.16
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COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1CN1C=CC=N1	REAL300018590559	0	51	0.0	-91.60	415.30	10.87	-80.73
CC(C)COC1=CC=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590560	0	50	0.0	-80.75	394.39	11.66	-69.09
CC1(C)CC2=CC=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=C2O1	REAL300018590561	0	48	0.0	-81.47	380.29	11.12	-70.35
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O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=NC=C3Cl)CC2=C1	REAL300018590565	0	36	0.0	-86.85	310.33	8.61	-78.24
CC(C)(C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)N1CCOCC1	REAL300018590566	0	49	0.0	-84.27	356.05	6.85	-77.42
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CC(CC1=CC=C(F)C=C1Cl)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590568	0	43	0.0	-86.81	353.14	11.50	-75.31
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=CC=C2)=N1	REAL300018590569	0	47	0.0	-88.57	382.59	11.04	-77.53
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CC1=C(Br)SC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590573	0	37	0.0	-89.49	334.31	10.30	-79.19
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC4=NNC=C43)CC2=C1	REAL300018590574	0	40	0.0	-98.51	329.20	8.60	-89.91
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CS(=O)(=O)N1CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590577	0	45	0.0	-99.10	356.59	5.73	-93.37
COC1=CC(F)=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590578	0	41	0.0	-92.02	338.75	9.24	-82.78
CC(C)(C)C1=NC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=N1	REAL300018590579	0	47	0.0	-94.46	374.70	9.85	-84.61
COC1=CC=CC=C1N1CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590580	0	53	0.0	-87.01	398.63	9.76	-77.25
CC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(Cl)=C1	REAL300018590581	0	40	0.0	-82.13	337.19	11.00	-71.13
COC1=CC=C(OC(F)F)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590582	0	45	0.0	-87.78	370.44	8.81	-78.97
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CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1OC1=CC=CN=C1	REAL300018590587	0	50	0.0	-92.62	408.37	11.76	-80.86
CC(CC1=CC=C(F)C=C1Br)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590588	0	43	0.0	-86.64	356.63	11.58	-75.06
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CS(=O)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590595	0	42	0.0	-100.20	355.29	8.49	-91.71
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)CC2=C1	REAL300018590596	0	39	0.0	-98.48	344.00	11.01	-87.47
CC(C)CCN1C=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590597	0	50	0.0	-86.48	389.50	12.27	-74.21
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)CC2=C1	REAL300018590598	0	44	0.0	-89.57	377.57	11.92	-77.65
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300018590599	0	47	0.0	-90.83	389.97	12.51	-78.32
CCC1=CC=C(C2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)O2)C=C1	REAL300018590600	0	50	0.0	-88.50	405.96	13.21	-75.29
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(OC(F)F)=C1	REAL300018590601	0	45	0.0	-90.82	370.44	8.83	-81.99
CC(C)C1CC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CCO1	REAL300018590602	0	47	0.0	-84.47	344.43	9.24	-75.23
CCN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=CC=C2)=N1	REAL300018590603	0	50	0.0	-88.47	404.12	11.91	-76.56
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C4CCCCC4=C3)CC2=C1	REAL300018590604	0	47	0.0	-86.43	365.77	12.39	-74.04
O=C([O-])C1=CC=C2CC([NH2+]C3CCC(C4CCCCC4)CC3)CC2=C1	REAL300018590605	0	56	0.0	-81.92	392.68	13.06	-68.86
CC(C)CC(C)CC(C)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590606	0	51	0.0	-81.26	374.00	11.43	-69.83
CC1=CC=C(C(C)C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590607	0	46	0.0	-87.29	360.26	11.85	-75.44
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1C(C)(C)C	REAL300018590608	0	53	0.0	-88.87	403.51	11.85	-77.02
COCC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300018590609	0	41	0.0	-88.67	339.16	7.89	-80.78
CC(C)(C)OC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590610	0	50	0.0	-86.98	383.48	11.03	-75.95
CC(C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)C1CCCCC1	REAL300018590611	0	49	0.0	-85.00	358.69	11.31	-73.69
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590612	0	42	0.0	-101.62	357.25	4.85	-96.77
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4=CC=CC(Cl)=C4C3)CC2=C1	REAL300018590613	0	44	0.0	-87.26	354.10	11.83	-75.43
CCOC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1	REAL300018590614	0	47	0.0	-88.16	368.04	10.67	-77.49
COC1=CC(C)=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590615	0	44	0.0	-81.08	352.39	9.90	-71.18
O=C([O-])C1=CC=C2CC([NH2+]CC3CCC4=CC=CC=C4C3)CC2=C1	REAL300018590616	0	47	0.0	-91.05	362.60	12.32	-78.73
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590617	0	39	0.0	-91.34	344.74	8.99	-82.35
O=C([O-])C1=CC=C2CC([NH2+]C3CCC(C4=CC=C(F)C=C4)C3)CC2=C1	REAL300018590618	0	47	0.0	-91.27	362.96	12.02	-79.25
COCC1=CSC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590619	0	41	0.0	-86.65	348.60	8.73	-77.92
CCCC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)S1	REAL300018590620	0	43	0.0	-84.41	358.17	11.36	-73.05
CC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=CC=C1[N+](=O)[O-]	REAL300018590621	0	42	0.0	-100.84	343.38	11.13	-89.71
CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1Br	REAL300018590622	0	40	0.0	-91.69	342.57	11.08	-80.61
COC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1Cl	REAL300018590623	0	41	0.0	-95.08	348.61	9.74	-85.34
COC1=CC=CC(C)=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590624	0	44	0.0	-80.56	348.00	9.75	-70.81
O=C([O-])C1=CC=C2CC([NH2+]CC3=C4OC=CC4=CC=C3)CC2=C1	REAL300018590625	0	40	0.0	-85.35	330.41	10.22	-75.13
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN(C4=CC=CC=C4)C=C3)CC2=C1	REAL300018590626	0	44	0.0	-87.34	361.97	11.03	-76.31
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=C(C(F)(F)F)S3)CC2=C1	REAL300018590627	0	36	0.0	-97.30	329.15	8.31	-88.99
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN4CCCCC4=C3)CC2=C1	REAL300018590628	0	44	0.0	-83.99	347.43	9.19	-74.80
COC1=NC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)S1	REAL300018590629	0	37	0.0	-90.96	320.35	5.48	-85.48
O=C([O-])C1=CC=C2CC([NH2+]C3CC4=CC=C(Cl)C=C4C3)CC2=C1	REAL300018590630	0	41	0.0	-93.27	335.25	11.22	-82.05
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=C(C=N3)OCCO4)CC2=C1	REAL300018590631	0	42	0.0	-87.95	342.51	7.25	-80.70
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=C4C=CC(Cl)=CN34)CC2=C1	REAL300018590632	0	40	0.0	-93.71	346.64	10.84	-82.87
CC1=CC=CN2C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=CN=C12	REAL300018590633	0	43	0.0	-94.27	351.37	10.93	-83.34
CN1C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CN=C1Cl	REAL300018590634	0	37	0.0	-95.91	319.17	8.73	-87.18
CN1C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CN=C1Br	REAL300018590635	0	37	0.0	-95.70	323.46	8.76	-86.94
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)CC2=C1	REAL300018590636	0	43	0.0	-95.32	362.40	9.80	-85.52
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(C(F)(F)F)=NN3)CC2=C1	REAL300018590637	0	37	0.0	-100.45	324.14	7.23	-93.22
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=C(F)C=CC=C4N3)CC2=C1	REAL300018590638	0	41	0.0	-95.11	341.47	9.92	-85.19
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=C(F)C=C4N3)CC2=C1	REAL300018590639	0	41	0.0	-95.95	341.37	9.91	-86.04
CCOC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=N1	REAL300018590640	0	43	0.0	-87.66	352.10	7.49	-80.17
CC1=C(Cl)C=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590641	0	40	0.0	-89.48	332.29	10.87	-78.61
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=NC=C4S3)CC2=C1	REAL300018590642	0	39	0.0	-93.68	335.20	9.65	-84.03
CC1=CC=CC2=NC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)N21	REAL300018590643	0	43	0.0	-91.59	336.71	10.58	-81.01
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590644	0	49	0.0	-91.70	386.91	10.62	-81.08
C=CCCCCCC(C)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590645	0	49	0.0	-82.19	372.19	11.70	-70.49
CC1=CC(Cl)=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590646	0	40	0.0	-89.94	340.97	11.04	-78.90
COCC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590647	0	44	0.0	-89.15	358.14	9.62	-79.53
COCC(CC(C)(C)C)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590648	0	49	0.0	-75.71	361.83	9.38	-66.33
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=CC(F)=C4N=C3)CC2=C1	REAL300018590649	0	42	0.0	-101.51	350.49	10.34	-91.17
CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC2=CC=CN=C12	REAL300018590650	0	45	0.0	-95.49	364.08	11.06	-84.43
CC(C)C1CCCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300018590651	0	49	0.0	-81.11	351.09	11.18	-69.93
CCCOC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1C	REAL300018590652	0	50	0.0	-89.19	395.76	11.64	-77.55
COC1=C(C)C=NC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1C	REAL300018590653	0	46	0.0	-85.26	365.54	8.70	-76.56
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590654	0	47	0.0	-85.25	376.67	11.50	-73.75
O=C([O-])C1=CC=C2CC([NH2+]C3CCCCC34CCCC4)CC2=C1	REAL300018590655	0	50	0.0	-79.47	352.30	11.54	-67.93
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)S1	REAL300018590656	0	40	0.0	-98.42	356.17	6.59	-91.83
O=C([O-])C1=CC=C2CC([NH2+]CC3=C4N=CC(Br)=CN4N=C3)CC2=C1	REAL300018590657	0	39	0.0	-86.28	346.98	9.44	-76.84
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)O2)C=C1	REAL300018590658	0	56	0.0	-88.23	439.44	14.12	-74.11
NC1=C(F)C=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590659	0	39	0.0	-89.76	319.09	8.01	-81.75
CC1CC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CCN1CC1=CC=CC=C1	REAL300018590660	0	55	0.0	-84.59	412.04	11.06	-73.53
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590661	0	57	0.0	-80.46	432.49	13.26	-67.20
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590662	0	57	0.0	-84.60	444.05	13.01	-71.59
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C(F)F)C=C3)CC2=C1	REAL300018590663	0	40	0.0	-92.91	337.24	10.83	-82.08
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC(Cl)=CN=C4O3)CC2=C1	REAL300018590664	0	39	0.0	-95.95	342.49	7.89	-88.06
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC4=C3CCC4)CC2=C1	REAL300018590665	0	44	0.0	-86.51	347.04	11.69	-74.82
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C([N+](=O)[O-])=N1	REAL300018590666	0	39	0.0	-98.05	331.25	9.27	-88.78
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC(Cl)=CS3)CC2=C1	REAL300018590667	0	33	0.0	-89.49	304.84	7.47	-82.02
COC1=NSC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590668	0	37	0.0	-93.80	320.39	5.81	-87.99
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=C4C=CC(Br)=CN34)CC2=C1	REAL300018590669	0	40	0.0	-93.72	351.20	10.94	-82.78
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC=CC4=CC=CC=C43)CC2=C1	REAL300018590670	0	42	0.0	-86.99	340.81	10.20	-76.79
COC1=CC=CC(Cl)=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590671	0	41	0.0	-76.55	345.28	9.66	-66.89
CC1=NC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)N1C1=CC=CC=C1	REAL300018590672	0	47	0.0	-84.94	382.11	12.18	-72.76
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590673	0	55	0.0	-90.99	437.91	14.67	-76.32
CCCN1N=C(C)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1C	REAL300018590674	0	49	0.0	-89.54	388.26	10.28	-79.26
CCN(CC)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1F	REAL300018590675	0	51	0.0	-92.93	403.54	11.06	-81.87
CCOC1CC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C12CCCC2	REAL300018590676	0	51	0.0	-75.92	380.82	11.15	-64.77
COC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C(SC)C=C1OC	REAL300018590677	0	49	0.0	-86.43	397.38	10.03	-76.40
CN(C)C1=CC=C(N2CCC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)CC2)C=C1	REAL300018590678	0	57	0.0	-87.24	421.40	10.56	-76.68
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590679	0	48	0.0	-92.16	379.33	12.36	-79.80
CCCC(C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=CC=C1	REAL300018590680	0	49	0.0	-88.94	380.13	12.61	-76.33
CC1CC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC(C2=CC=CC=C2)C1	REAL300018590681	0	53	0.0	-85.56	393.35	13.50	-72.06
CC(C)OC1=CC=C(F)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590682	0	47	0.0	-83.61	377.16	10.85	-72.76
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC4=CC=C(F)C=C4S3)CC2=C1	REAL300018590683	0	39	0.0	-89.77	341.15	9.42	-80.35
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(F)=CC=C3OC(F)F)CC2=C1	REAL300018590684	0	41	0.0	-90.32	347.37	9.61	-80.71
COC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC2=CC=CC=C21	REAL300018590685	0	47	0.0	-92.46	377.55	11.50	-80.96
CCOC1=CN=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590686	0	43	0.0	-92.16	349.36	8.29	-83.87
CCOC1=CC(F)=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590687	0	44	0.0	-91.78	360.60	10.16	-81.62
COC1=CC=C(C(C)C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590688	0	47	0.0	-90.45	368.33	10.46	-79.99
CN1N=C(C2CC2)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590689	0	44	0.0	-94.62	355.40	9.56	-85.06
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4(CCCCC4)CC3)CC2=C1	REAL300018590691	0	53	0.0	-84.29	370.27	11.73	-72.56
CC([NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)C(C)C1=CC=CC=C1	REAL300018590692	0	46	0.0	-83.92	344.66	11.34	-72.58
O=C([O-])C1=CC=C2CC([NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)CC2=C1	REAL300018590693	0	45	0.0	-93.69	356.18	10.94	-82.75
CC1CN(CC2=CC=CC=C2)CC1[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590694	0	52	0.0	-79.61	386.75	9.93	-69.68
COC1=CC=CC2=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=CC=C12	REAL300018590695	0	47	0.0	-91.47	372.43	11.38	-80.09
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=NN3CC3CC3)CC2=C1	REAL300018590696	0	44	0.0	-93.49	356.76	9.91	-83.58
CC(CCC1=CC=CN=C1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590697	0	45	0.0	-89.34	354.65	10.23	-79.11
CC(C)C1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590698	0	46	0.0	-86.47	363.30	11.81	-74.66
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300018590699	0	39	0.0	-99.24	340.49	3.03	-96.21
O=C([O-])C1=CC=C2CC([NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)CC2=C1	REAL300018590700	0	48	0.0	-90.87	381.27	12.86	-78.01
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4(CCOCC4)CC3)CC2=C1	REAL300018590701	0	51	0.0	-87.42	361.73	9.38	-78.04
COC1=CN=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1C	REAL300018590702	0	43	0.0	-91.52	342.08	7.98	-83.54
NC1=C(Cl)C=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590703	0	39	0.0	-88.66	328.01	8.49	-80.17
O=C([O-])C1=CC=C2CC([NH2+]CCC3=CC=C(F)C=C3Cl)CC2=C1	REAL300018590704	0	40	0.0	-90.91	344.74	11.13	-79.78
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CN=CC=C4O3)CC2=C1	REAL300018590705	0	39	0.0	-94.49	325.44	8.66	-85.83
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C(F)(F)F)S3)CC2=C1	REAL300018590706	0	37	0.0	-93.08	333.94	10.21	-82.87
CC1=C2C=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)NC2=CC=C1	REAL300018590707	0	44	0.0	-92.54	355.92	10.49	-82.05
CCOC1CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590708	0	47	0.0	-81.75	353.98	9.39	-72.36
O=C([O-])C1=CC=C2CC([NH2+]CC3=CSC(C(F)(F)F)=C3)CC2=C1	REAL300018590709	0	37	0.0	-94.10	333.69	10.04	-84.06
CCCOC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1	REAL300018590710	0	50	0.0	-87.92	389.55	11.48	-76.44
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1OC1CC1	REAL300018590711	0	49	0.0	-95.41	392.62	10.74	-84.67
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4(CCCC4)CC3)CC2=C1	REAL300018590712	0	50	0.0	-83.84	359.67	11.43	-72.41
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C(F)F)N=C3)CC2=C1	REAL300018590713	0	39	0.0	-96.67	332.49	8.98	-87.69
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4=CC=CC=C4CC3)CC2=C1	REAL300018590714	0	47	0.0	-86.97	353.47	11.80	-75.17
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC=C(Br)S3)CC2=C1	REAL300018590715	0	33	0.0	-88.44	309.56	7.78	-80.66
CCC1(C)CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590716	0	49	0.0	-83.47	349.80	10.61	-72.86
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC4=CC=CC=C4C3)CC2=C1	REAL300018590717	0	47	0.0	-86.10	353.95	11.87	-74.23
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C(F)F)=N1	REAL300018590718	0	40	0.0	-88.48	333.30	8.56	-79.92
CC([NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)C1CCCCCC1	REAL300018590719	0	49	0.0	-82.14	346.95	10.92	-71.22
CC([NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018590720	0	49	0.0	-81.65	388.15	12.20	-69.45
CCC1(CC)CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590721	0	52	0.0	-83.51	363.84	11.14	-72.37
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC4=C3CCOC4)CC2=C1	REAL300018590722	0	45	0.0	-88.93	349.62	9.85	-79.08
O=C([O-])C1=CC=C2CC([NH2+]CC3CC3C3=CC=C(F)C=C3)CC2=C1	REAL300018590723	0	44	0.0	-91.81	358.67	12.07	-79.74
CC(CC1=COC2=CC=CC=C12)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590724	0	46	0.0	-85.85	366.36	11.56	-74.29
NS(=O)(=O)C1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590725	0	42	0.0	-98.94	357.31	4.84	-94.10
CC1=CC=C2C=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)NC2=C1	REAL300018590726	0	44	0.0	-92.12	356.33	10.50	-81.62
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC=C(C(F)(F)F)S3)CC2=C1	REAL300018590727	0	36	0.0	-91.68	328.43	8.22	-83.46
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(F)=C3OC(F)F)CC2=C1	REAL300018590728	0	41	0.0	-88.90	347.28	9.61	-79.29
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590729	0	45	0.0	-99.92	362.32	11.54	-88.38
O=C([O-])C1=CC=C2CC([NH2+]C3CCCCC(C4=CC=CC=C4)C3)CC2=C1	REAL300018590730	0	53	0.0	-86.36	391.04	13.17	-73.19
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=CN=C4O3)CC2=C1	REAL300018590731	0	39	0.0	-94.68	325.73	7.38	-87.30
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)=C1	REAL300018590732	0	53	0.0	-90.02	420.09	14.63	-75.39
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC3C3=CC=C(Cl)C=C3)CC2=C1	REAL300018590733	0	47	0.0	-87.18	377.90	12.66	-74.52
CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1N1C=NC=N1	REAL300018590734	0	46	0.0	-98.86	372.01	13.34	-85.52
CCC1CCCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590735	0	49	0.0	-83.21	351.51	10.88	-72.33
CC1(C)CCCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590736	0	49	0.0	-84.06	342.09	10.43	-73.63
CC(C)(C)C1CCCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC1	REAL300018590737	0	55	0.0	-83.25	383.16	11.76	-71.49
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC(F)=CC=C4O3)CC2=C1	REAL300018590738	0	40	0.0	-93.55	337.13	10.46	-83.09
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(OCC(F)F)C=C3)CC2=C1	REAL300018590739	0	44	0.0	-94.59	367.44	10.45	-84.14
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)CC2=C1	REAL300018590740	0	44	0.0	-94.15	366.74	8.17	-85.98
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(Br)=C1	REAL300018590741	0	41	0.0	-84.63	348.84	9.73	-74.90
COCC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590742	0	44	0.0	-88.54	358.14	9.62	-78.92
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590743	0	47	0.0	-95.10	398.80	12.13	-82.97
CN(C)CC1=NC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CS1	REAL300018590744	0	44	0.0	-84.20	364.04	6.35	-77.85
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)CC2=C1	REAL300018590745	0	48	0.0	-93.60	403.67	14.00	-79.60
CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C(OC(F)F)C=C1C	REAL300018590746	0	47	0.0	-86.52	379.81	10.73	-75.79
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590747	0	54	0.0	-88.30	414.33	11.01	-77.29
COC1=CC(C)=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1OC	REAL300018590748	0	48	0.0	-92.24	376.61	9.71	-82.53
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3C3CC3)CC2=C1	REAL300018590749	0	44	0.0	-85.47	346.11	11.90	-73.57
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(Cl)=CC(Cl)=C3[N+](=O)[O-])CC2=C1	REAL300018590750	0	39	0.0	-88.66	362.07	11.81	-76.85
CC1=C(Br)C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)S1	REAL300018590751	0	37	0.0	-87.52	334.63	10.36	-77.16
O=C([O-])C1=CC=C2CC([NH2+]CCC3=CC=C(F)C=C3F)CC2=C1	REAL300018590752	0	40	0.0	-91.71	336.45	10.75	-80.96
CC1=CC(CC[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC(C)=C1	REAL300018590753	0	46	0.0	-88.53	367.40	11.98	-76.55
O=C([O-])C1=CC=C2CC([NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)CC2=C1	REAL300018590754	0	44	0.0	-93.33	376.32	10.26	-83.07
O=C([O-])C1=CC=C2CC([NH2+]C3CCCCC3C3=CC=CC=C3Cl)CC2=C1	REAL300018590755	0	50	0.0	-78.09	390.69	13.11	-64.98
COC1=CC=C(CC(C)[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1OC	REAL300018590756	0	54	0.0	-89.17	407.49	10.76	-78.41
COC1=CC=C(N2C=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=N2)C=C1	REAL300018590757	0	48	0.0	-95.53	391.40	10.40	-85.13
CC(CCC1=CSC=C1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590758	0	43	0.0	-85.77	349.80	10.95	-74.82
COCCC1=CC=C(OCC(C)[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590759	0	54	0.0	-85.88	424.43	10.66	-75.22
CCC(CC1=CC=C(Br)C=C1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590760	0	46	0.0	-85.72	376.68	12.45	-73.27
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590761	0	47	0.0	-94.95	393.62	12.39	-82.56
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590762	0	52	0.0	-86.25	424.89	13.30	-72.95
O=C([O-])C1=CC=C2CC([NH2+]CC3=C(F)C=NC=C3Br)CC2=C1	REAL300018590763	0	36	0.0	-82.01	321.78	8.66	-73.35
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)CC2=C1	REAL300018590764	0	50	0.0	-87.71	389.13	13.42	-74.29
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC3C3=CC=C(C(F)(F)F)C=C3)CC2=C1	REAL300018590765	0	50	0.0	-89.79	400.19	13.11	-76.68
O=C([O-])C1=CC=C2CC([NH2+]CC3=CNN=C3C3=CSC=C3)CC2=C1	REAL300018590766	0	41	0.0	-89.26	349.68	8.73	-80.53
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(C4=CC=CC=N4)=NN3)CC2=C1	REAL300018590767	0	43	0.0	-95.76	359.26	8.13	-87.63
CN1N=CC2=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=CN=C21	REAL300018590768	0	42	0.0	-100.48	347.14	9.01	-91.47
CC(CCC1=CC=C(F)C=C1F)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590769	0	46	0.0	-87.01	371.68	12.13	-74.88
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590770	0	47	0.0	-74.68	392.17	12.61	-62.07
CSC1=CC(Br)=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590771	0	41	0.0	-84.31	359.84	11.40	-72.91
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590772	1	57	0.0	-85.17	423.90	12.13	-73.04
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590773	0	49	0.0	-90.72	392.21	12.65	-78.07
COCC(CC1CCOCC1)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590774	0	51	0.0	-83.36	376.34	8.14	-75.22
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC3C3=CC=CC=C3Cl)CC2=C1	REAL300018590775	0	47	0.0	-77.91	361.80	12.70	-65.21
CN1CCN(C2=NC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=N2)CC1	REAL300018590776	0	52	0.0	-96.19	406.20	8.16	-88.03
O=C([O-])C1=CC=C2CC([NH2+]C3CC=C(C4=CC=C(Cl)C=C4)CC3)CC2=C1	REAL300018590777	0	48	0.0	-89.94	391.59	13.31	-76.63
O=C([O-])C1=CC=C2CC([NH2+]CC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)CC2=C1	REAL300018590778	0	50	0.0	-88.46	402.12	11.36	-77.10
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590779	0	46	0.0	-97.37	388.20	11.22	-86.15
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC3C3=CC=CC(C(F)(F)F)=C3)CC2=C1	REAL300018590780	0	50	0.0	-83.91	394.52	13.55	-70.36
CC1CCC2=C(C1)SC(C[NH2+]C1CC3=CC=C(C(=O)[O-])C=C3C1)=N2	REAL300018590781	0	46	0.0	-84.52	372.40	10.26	-74.26
CCC1=CN=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)S1	REAL300018590782	0	39	0.0	-84.68	331.26	8.62	-76.06
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3N3CCCCC3)CC2=C1	REAL300018590783	0	52	0.0	-81.40	396.65	11.91	-69.49
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4COCCC4C3)CC2=C1	REAL300018590784	0	48	0.0	-86.53	354.55	9.23	-77.30
CC1(C)CC2(CC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C2)CO1	REAL300018590785	0	48	0.0	-87.92	367.10	9.44	-78.48
CC1CC2(CC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C2)CO1	REAL300018590786	0	45	0.0	-88.28	343.58	8.63	-79.65
O=C([O-])C1=CC=C2CC([NH2+]C3CCOC4=CC=CC=C4C3)CC2=C1	REAL300018590787	0	45	0.0	-87.27	347.69	10.14	-77.13
O=C([O-])C1=CC=C2CC([NH2+]C3CCCC4=C(C=CS4)C3)CC2=C1	REAL300018590788	0	44	0.0	-86.88	346.55	11.06	-75.82
CN1C=NC2=CC=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=C21	REAL300018590789	0	43	0.0	-94.65	341.48	11.15	-83.50
COC1=CC=C(C)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590790	0	44	0.0	-86.18	346.48	9.78	-76.40
O=C([O-])C1=CC=C2CC([NH2+]CC3=NOC(C4CCC4)=C3)CC2=C1	REAL300018590791	0	43	0.0	-86.56	348.22	10.15	-76.41
CC1(C2=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=NO2)CC1	REAL300018590792	0	43	0.0	-86.54	350.40	10.02	-76.52
CC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1C	REAL300018590793	0	46	0.0	-84.56	351.44	11.55	-73.01
CC(C)(C)C1=CC=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590794	0	49	0.0	-79.77	357.56	12.21	-67.56
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=C4CCCCCN34)CC2=C1	REAL300018590795	0	47	0.0	-91.58	359.15	10.30	-81.28
COC1=CC=C2SC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=CC2=C1	REAL300018590796	0	44	0.0	-89.86	370.01	10.72	-79.14
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(C4=CC=CC=C4)=NO3)CC2=C1	REAL300018590797	0	43	0.0	-97.63	358.04	11.06	-86.57
CCN1CCC2=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=CC=C21	REAL300018590798	0	49	0.0	-88.80	382.14	10.49	-78.31
CC1(C)CC2(CO1)CCC([NH2+]C1CC3=CC=C(C(=O)[O-])C=C3C1)CC2	REAL300018590799	0	54	0.0	-86.84	390.11	10.17	-76.67
CSC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1Cl	REAL300018590800	0	41	0.0	-93.72	358.30	11.37	-82.35
CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1C1CC1	REAL300018590801	0	47	0.0	-86.82	369.26	12.49	-74.33
COC1=CC=CC2=C1CCCC([NH2+]C1CC3=CC=C(C(=O)[O-])C=C3C1)C2	REAL300018590802	0	51	0.0	-88.16	381.93	11.26	-76.90
CCOC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=N1	REAL300018590803	0	43	0.0	-93.46	352.02	7.53	-85.93
CC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1C1CC1	REAL300018590804	0	47	0.0	-86.91	369.51	12.52	-74.39
CC1=NN(C2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C(C)=C2)C=C1	REAL300018590805	0	50	0.0	-95.41	398.19	12.29	-83.12
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C(F)(F)C(F)(F)F)C=C3)CC2=C1	REAL300018590806	0	43	0.0	-94.93	374.28	11.78	-83.15
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590807	0	47	0.0	-94.74	392.23	12.13	-82.61
CC1=NN(C2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)C=C1Cl	REAL300018590808	0	47	0.0	-96.36	399.98	12.18	-84.18
CC(C)CC1CCCC1[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590809	0	49	0.0	-82.23	364.06	11.29	-70.94
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=C(C4CCOCC4)O3)CC2=C1	REAL300018590810	0	47	0.0	-92.12	375.36	6.35	-85.77
CC1OC2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2C1C	REAL300018590811	0	48	0.0	-91.27	380.49	11.09	-80.18
CC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1OC(F)F	REAL300018590812	0	44	0.0	-87.11	362.41	10.23	-76.88
CC(C)C1=CC=C(O)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590813	0	47	0.0	-86.78	370.72	9.17	-77.61
CC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)NN=C1C(F)(F)F	REAL300018590814	0	40	0.0	-100.05	340.79	7.84	-92.21
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC(C4CC4)=CS3)CC2=C1	REAL300018590815	0	40	0.0	-85.77	338.92	9.14	-76.63
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN(CC4CC4)N=N3)CC2=C1	REAL300018590816	0	43	0.0	-91.78	352.61	8.80	-82.98
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C4CCOC4=C3)CC2=C1	REAL300018590817	0	42	0.0	-89.56	338.68	9.71	-79.85
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC4=C(CCCC4)N3)CC2=C1	REAL300018590818	0	44	0.0	-88.52	345.78	8.94	-79.58
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C4COCCC4=C3)CC2=C1	REAL300018590819	0	45	0.0	-89.79	356.79	9.99	-79.80
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3C3CCC3)CC2=C1	REAL300018590820	0	47	0.0	-85.21	360.66	12.27	-72.94
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2CCOCC2)=N1	REAL300018590821	0	51	0.0	-95.12	400.87	9.04	-86.08
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=CC(C4=CC=CN=C4)=C3)CC2=C1	REAL300018590822	0	45	0.0	-96.33	367.12	9.72	-86.61
O=C([O-])C1=CC=C2CC([NH2+]C3CC(COCC4=CC=CC=C4)C3)CC2=C1	REAL300018590823	0	51	0.0	-86.59	406.14	11.87	-74.72
CSC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590824	0	41	0.0	-88.08	343.30	10.90	-77.18
CC(C)(C)N1N=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590825	0	46	0.0	-88.02	346.07	9.29	-78.73
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4=CC(Cl)=CC=C4C3)CC2=C1	REAL300018590826	0	44	0.0	-92.42	356.71	11.89	-80.53
CC(C)C1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)N(C)N=C1	REAL300018590827	0	46	0.0	-93.46	365.24	9.39	-84.07
O=C([O-])C1=CC=C2CC([NH2+]C3CC(C4=CC=CC=C4Br)C3)CC2=C1	REAL300018590828	0	44	0.0	-89.18	361.91	12.03	-77.15
CCC([NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1)C(C)CC1=CC=CC=C1	REAL300018590829	0	52	0.0	-82.70	379.64	12.69	-70.01
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(CC4CC4)S3)CC2=C1	REAL300018590830	0	44	0.0	-84.72	368.28	12.15	-72.57
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(OC4CC4)C=C3)CC2=C1	REAL300018590831	0	45	0.0	-90.42	363.61	10.87	-79.55
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)CC2=C1	REAL300018590832	0	41	0.0	-89.67	354.63	9.71	-79.96
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(C(F)(F)C(F)(F)F)=C3)CC2=C1	REAL300018590833	0	43	0.0	-92.95	374.28	11.78	-81.17
CC1=NC=CN1C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1	REAL300018590834	0	50	0.0	-97.56	397.61	12.98	-84.58
CC1=C(C)N(C2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)C=N1	REAL300018590835	0	50	0.0	-99.00	400.81	13.50	-85.50
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)CC2=C1	REAL300018590836	0	51	0.0	-87.70	398.03	13.93	-73.77
CC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)OC2=CC=C(F)C=C12	REAL300018590838	0	43	0.0	-92.38	357.79	11.12	-81.26
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590839	0	43	0.0	-86.66	355.08	11.57	-75.09
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590840	0	47	0.0	-97.16	382.90	10.99	-86.17
CC(C)(C)C1=CN=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590841	0	48	0.0	-91.11	374.47	10.39	-80.72
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN(CC(F)(F)F)C=C3)CC2=C1	REAL300018590842	0	40	0.0	-89.04	345.11	8.93	-80.11
CN1C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=NC2=C1CCCC2	REAL300018590843	0	47	0.0	-88.50	366.41	10.55	-77.95
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C(F)(F)F)=N1	REAL300018590844	0	40	0.0	-89.24	337.93	8.62	-80.62
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=CC=C4C=N3)CC2=C1	REAL300018590845	0	42	0.0	-85.30	344.23	10.33	-74.97
COC1=NC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1C	REAL300018590846	0	43	0.0	-87.70	350.13	7.25	-80.45
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(C(F)F)=C3F)CC2=C1	REAL300018590847	0	40	0.0	-88.80	341.66	10.83	-77.97
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC4=C3COCC4)CC2=C1	REAL300018590848	0	45	0.0	-88.89	349.80	9.88	-79.01
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590849	0	44	0.0	-83.44	369.80	10.69	-72.75
O=C([O-])C1=CC=C2CC([NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)CC2=C1	REAL300018590850	0	44	0.0	-94.57	365.99	9.80	-84.77
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=C(CCCC4)O3)CC2=C1	REAL300018590851	0	44	0.0	-86.04	347.11	10.69	-75.35
CCC(C)N1N=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590852	0	46	0.0	-92.77	364.38	9.66	-83.11
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN(C4CCCCC4)N=C3)CC2=C1	REAL300018590853	0	50	0.0	-89.31	387.73	10.95	-78.36
COC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=CC=C1C(C)(C)C	REAL300018590854	0	53	0.0	-83.23	395.89	11.59	-71.64
CN1C=C(Br)N=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590855	0	37	0.0	-93.00	324.44	8.75	-84.25
COC1=CC(C)=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=N1	REAL300018590856	0	43	0.0	-92.66	345.36	7.22	-85.44
O=C([O-])C1=CC=C2CC([NH2+]CC3=NC4=CC=CC=C4S3)CC2=C1	REAL300018590857	0	39	0.0	-87.20	334.73	9.35	-77.85
COC1=CC=CC(C2CC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C2)=C1	REAL300018590858	0	48	0.0	-90.06	376.32	10.95	-79.11
CC1=NOC(C2CC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C2)=N1	REAL300018590859	0	42	0.0	-94.11	337.64	7.15	-86.96
O=C([O-])C1=CC=C2CC([NH2+]C3CC(C4CCOCC4)C3)CC2=C1	REAL300018590860	0	48	0.0	-87.05	362.11	9.51	-77.54
CC1=CC(C)=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1Br	REAL300018590861	0	46	0.0	-88.08	372.31	12.04	-76.04
O=C([O-])C1=CC=C2CC([NH2+]CC=CC3=CC=C4OCOC4=C3)CC2=C1	REAL300018590862	0	44	0.0	-95.87	360.18	9.86	-86.01
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(CC4CCC4)C=C3)CC2=C1	REAL300018590863	0	50	0.0	-85.98	394.19	13.42	-72.56
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590864	0	47	0.0	-95.64	399.27	10.66	-84.98
COC1=CC=C(CC(C)[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1	REAL300018590865	0	50	0.0	-84.38	383.24	10.93	-73.45
CCC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=NN1CC	REAL300018590866	0	46	0.0	-87.05	362.44	9.81	-77.24
CC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C(F)(F)F)=CO1	REAL300018590867	0	40	0.0	-84.38	342.18	9.65	-74.73
CC(F)(F)C1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590868	0	43	0.0	-90.73	356.29	11.41	-79.32
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=CSC=C4)N=C3)CC2=C1	REAL300018590869	0	43	0.0	-94.08	366.01	10.68	-83.40
CN1C=C(C2=NNC=C2C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=N1	REAL300018590870	0	44	0.0	-89.81	363.47	7.58	-82.23
COC1=CC=C(CCC(C)[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C)=C1	REAL300018590871	0	53	0.0	-89.64	404.64	11.79	-77.85
O=C([O-])C1=CC=C2CC([NH2+]C3CC4CCCCCC4C3)CC2=C1	REAL300018590872	0	50	0.0	-84.08	356.25	11.43	-72.65
CC1CCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)CC2=CC=CC=C21	REAL300018590873	0	50	0.0	-86.92	364.10	12.11	-74.81
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=CSC=C4)C=C3)CC2=C1	REAL300018590874	0	44	0.0	-89.65	368.64	12.33	-77.32
CCOC1=CC(CCC(C)[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1O	REAL300018590875	0	54	0.0	-92.29	421.94	10.07	-82.22
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)CC2=C1	REAL300018590876	0	43	0.0	-92.15	359.94	12.50	-79.65
COC1=C(C)C(C)=C(OC)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1C	REAL300018590877	0	54	0.0	-83.41	415.35	10.54	-72.87
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3OC3CCCCC3)CC2=C1	REAL300018590878	0	54	0.0	-81.22	412.58	12.73	-68.49
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(OC4=CC=CC(Cl)=C4)C=C3)CC2=C1	REAL300018590879	0	48	0.0	-92.86	408.50	13.26	-79.60
C=CCC1=CC=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590880	0	44	0.0	-85.90	350.15	11.77	-74.13
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3COC3CCCCC3)CC2=C1	REAL300018590881	0	57	0.0	-88.37	433.26	13.40	-74.97
COC1=CC=CC(OC2=CC=C(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)C=C2)=C1	REAL300018590882	0	52	0.0	-96.70	421.27	12.05	-84.65
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590883	0	52	0.0	-96.95	421.97	12.67	-84.28
COCC1=CC=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590884	0	44	0.0	-88.73	349.46	9.74	-78.99
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC=C3CC3=CC=C(Cl)C=C3)CC2=C1	REAL300018590885	0	50	0.0	-94.11	412.16	14.61	-79.50
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(SC(F)(F)F)=C3)CC2=C1	REAL300018590886	0	41	0.0	-93.45	359.47	11.36	-82.09
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C4CCOCC4=C3)CC2=C1	REAL300018590887	0	45	0.0	-89.83	356.79	9.99	-79.84
CC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)SC2=CC(F)=CC=C12	REAL300018590888	0	43	0.0	-90.44	363.63	12.02	-78.42
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(C4=CC=NC=C4)=NN3)CC2=C1	REAL300018590889	0	43	0.0	-100.27	357.45	8.04	-92.23
COC1=CC=C(F)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1OC	REAL300018590890	0	45	0.0	-80.93	367.37	9.17	-71.76
CCN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2CC2)=N1	REAL300018590891	0	47	0.0	-90.69	379.17	10.71	-79.98
COC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1OCCO	REAL300018590892	0	49	0.0	-96.92	395.05	6.94	-89.98
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2=CC=NN2C)=N1	REAL300018590893	0	47	0.0	-91.76	388.34	8.76	-83.00
CC(C)(C)C1=NOC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590894	0	45	0.0	-91.72	346.55	9.65	-82.07
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CN=CC=C4C=C3)CC2=C1	REAL300018590895	0	42	0.0	-95.91	344.07	10.38	-85.53
COC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CC=C1OCC1CCCO1	REAL300018590896	0	56	0.0	-96.50	440.76	10.54	-85.96
CC1=CC2=CC=CC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=C2O1	REAL300018590897	0	43	0.0	-85.33	352.31	11.05	-74.28
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(F)=C3C(F)(F)F)CC2=C1	REAL300018590898	0	40	0.0	-93.61	336.93	10.99	-82.62
O=C([O-])C1=CC=C2CC([NH2+]CC3=C(F)C=CC=C3OCC(F)(F)F)CC2=C1	REAL300018590899	0	44	0.0	-80.92	377.73	10.64	-70.28
O=C([O-])C1=CC=C2CC([NH2+]CC3=CON=C3C3CCC3)CC2=C1	REAL300018590900	0	43	0.0	-95.07	347.78	9.98	-85.09
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C(F)(F)F)C=C3F)CC2=C1	REAL300018590901	0	40	0.0	-92.05	347.37	10.92	-81.13
CC(C)OC1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1F	REAL300018590902	0	47	0.0	-95.13	378.59	10.82	-84.31
CC1=NN(C2CCCC2)C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1	REAL300018590903	0	50	0.0	-94.44	390.92	10.95	-83.49
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=NN3CC(F)F)CC2=C1	REAL300018590904	0	40	0.0	-91.55	337.06	8.57	-82.98
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)CC2=C1	REAL300018590906	0	44	0.0	-93.62	368.07	11.15	-82.47
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN(C4CCC4)C=C3)CC2=C1	REAL300018590907	0	44	0.0	-83.91	351.05	9.54	-74.37
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN(CC(F)F)C=C3)CC2=C1	REAL300018590908	0	40	0.0	-87.78	339.33	8.80	-78.98
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN(C4CC4(F)F)C=C3)CC2=C1	REAL300018590909	0	41	0.0	-88.63	348.99	9.35	-79.28
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(Br)=CC4=CC=CN=C43)CC2=C1	REAL300018590910	0	42	0.0	-82.47	364.14	11.03	-71.44
O=C([O-])C1=CC=C2CC([NH2+]CC3=NN(C4CCCC4)C=C3)CC2=C1	REAL300018590911	0	47	0.0	-83.44	368.87	10.26	-73.18
O=C([O-])C1=CC=C2CC([NH2+]CC3=C4OC=CC4=C(F)C=C3)CC2=C1	REAL300018590912	0	40	0.0	-91.61	336.60	10.26	-81.35
O=C([O-])C1=CC=C2CC([NH2+]CC3=C4OC=CC4=CC(Cl)=C3)CC2=C1	REAL300018590913	0	40	0.0	-87.81	347.15	10.73	-77.08
COC1=CC=CC(CN2CCC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)CC2)=C1	REAL300018590914	0	56	0.0	-85.89	423.63	9.57	-76.32
COC1=CC=C2SC(C[NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)=NC2=C1	REAL300018590915	0	43	0.0	-89.73	364.26	8.61	-81.12
O=C([O-])C1=CC=C2CC([NH2+]CC3=CN=C4C=C(Br)C=CN34)CC2=C1	REAL300018590916	0	40	0.0	-98.25	351.24	10.95	-87.30
CC1=CC(Br)=CC(C)=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590917	0	43	0.0	-89.67	357.30	11.56	-78.11
CN1N=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1C1=CC=CO1	REAL300018590918	0	44	0.0	-88.63	364.70	9.22	-79.41
O=C([O-])C1=CC=C2CC([NH2+]CC3=C(Cl)C=CC4=C3OCO4)CC2=C1	REAL300018590919	0	40	0.0	-80.01	343.15	8.97	-71.04
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4CCCCC4)C=C3)CC2=C1	REAL300018590920	0	53	0.0	-86.10	404.92	13.71	-72.39
CC1=NN(C2CCC2)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590921	0	47	0.0	-89.86	370.90	10.27	-79.59
COC1=CC=CC=C1C=CC[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590922	0	45	0.0	-88.07	362.49	10.55	-77.52
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)CC2=C1	REAL300018590923	0	45	0.0	-95.86	372.26	10.24	-85.62
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590924	0	44	0.0	-98.33	366.39	9.15	-89.18
CC(C)(C)N1CCCC([NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C1	REAL300018590925	0	51	0.0	-82.12	365.93	8.40	-73.72
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)CC2=C1	REAL300018590926	0	50	0.0	-87.57	405.87	14.36	-73.21
O=C([O-])C1=CC=C2CC([NH2+]C3CC(C4=CC=C(OC(F)(F)F)C=C4)C3)CC2=C1	REAL300018590927	0	48	0.0	-91.36	390.54	11.34	-80.02
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC(C4=CC=CC=C4)=CC=N3)CC2=C1	REAL300018590928	0	46	0.0	-87.01	372.67	11.49	-75.52
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590929	0	58	0.0	-85.12	428.18	11.89	-73.23
CC1=CC=C(C2CCC([NH2+]C3CC4=CC=C(C(=O)[O-])C=C4C3)CC2)C=C1	REAL300018590930	0	53	0.0	-85.42	393.80	13.62	-71.80
COC1=CC(C)=CC(OC)=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590931	0	48	0.0	-76.00	380.79	9.26	-66.74
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(OC(F)(F)F)C(Cl)=C3)CC2=C1	REAL300018590932	0	41	0.0	-96.54	365.11	10.25	-86.29
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC(C4CC(F)(F)C4(F)F)=C3)CC2=C1	REAL300018590933	0	47	0.0	-94.35	391.41	12.69	-81.66
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C4SC=CC4=C3)CC2=C1	REAL300018590934	0	40	0.0	-92.51	339.75	11.23	-81.28
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)CC2=C1	REAL300018590935	0	46	0.0	-93.54	372.49	11.57	-81.97
CC1=CC=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1C(F)(F)F	REAL300018590936	0	43	0.0	-80.42	345.43	11.36	-69.06
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=NNC=C4C=C3)CC2=C1	REAL300018590937	0	40	0.0	-91.94	329.08	8.57	-83.37
CCC(C)C1=CC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=C1	REAL300018590938	0	49	0.0	-86.17	381.74	12.48	-73.69
O=C([O-])C1=CC=C2CC([NH2+]C3CCC4(C3)CCOCC4)CC2=C1	REAL300018590939	0	48	0.0	-87.69	352.41	9.08	-78.61
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590940	0	50	0.0	-90.13	402.55	12.42	-77.71
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=CC4=C3CCCC4)CC2=C1	REAL300018590941	0	47	0.0	-86.92	358.44	12.26	-74.66
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590942	0	44	0.0	-93.64	362.94	11.78	-81.86
COC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=CC(Br)=C1F	REAL300018590943	0	41	0.0	-93.50	359.15	9.94	-83.56
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(N4C=CN=N4)C=C3)CC2=C1	REAL300018590944	0	43	0.0	-102.77	355.44	9.81	-92.96
CC1=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C=CC2=CC=CC=C21	REAL300018590945	0	46	0.0	-88.95	360.27	12.56	-76.39
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590946	0	55	0.0	-89.19	428.27	11.54	-77.65
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC4=CC=CC=C4C(Br)=C3)CC2=C1	REAL300018590947	0	43	0.0	-93.87	367.38	12.65	-81.22
COC1=C2C=CNC2=CC=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590948	0	45	0.0	-84.78	364.01	9.31	-75.47
O=C([O-])C1=CC=C2CC([NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)CC2=C1	REAL300018590949	0	50	0.0	-89.26	390.68	6.91	-82.35
CCCN1N=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=C1C	REAL300018590950	0	46	0.0	-88.97	365.98	9.78	-79.19
CC1=CC(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)=CN=C1N1C=CC=N1	REAL300018590951	0	46	0.0	-98.50	374.64	11.22	-87.28
O=C([O-])C1=CC=C2CC([NH2+]C3CCC3CC3=CC=CC=C3)CC2=C1	REAL300018590952	0	47	0.0	-86.21	372.09	12.54	-73.67
CCCN1N=C(C)C=C1C[NH2+]C1CC2=CC=C(C(=O)[O-])C=C2C1	REAL300018590953	0	46	0.0	-91.66	364.23	9.76	-81.90
CN1C=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)C(C2CCC2)=N1	REAL300018590954	0	47	0.0	-91.14	374.27	10.32	-80.82
CC(C)(C)C1=NC=C(C[NH2+]C2CC3=CC=C(C(=O)[O-])C=C3C2)O1	REAL300018590955	0	45	0.0	-89.46	362.28	7.39	-82.07
CC(C)(CC[NH2+]C(C1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(Cl)=C1)C(=O)[O-]	REAL300018590956	0	48	0.0	-69.68	401.94	12.73	-56.95
CC([NH2+]C(C1=CC=C(C(F)(F)F)C=C1)C1=CC=CC(Cl)=C1)C1CC1C(=O)[O-]	REAL300018590957	0	46	0.0	-55.00	382.13	12.64	-42.36
O=C([O-])CC1CC([NH2+]C(C2=CC=C(C(F)(F)F)C=C2)C2=CC=CC(Cl)=C2)C1	REAL300018590958	0	46	0.0	-72.46	387.88	12.60	-59.86
CC1(C(=O)[O-])CC([NH2+]C(C2=CC=C(C(F)(F)F)C=C2)C2=CC=CC(Cl)=C2)C1	REAL300018590959	0	46	0.0	-70.29	387.68	12.37	-57.92
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018590960	1	45	0.0	-72.85	376.45	6.80	-66.05
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018590960	1	45	0.0	-71.77	375.19	6.69	-65.08
CC1=C(C(=O)[O-])C=C(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300018590961	1	38	0.0	-79.74	321.77	3.23	-76.51
CC1=C(C(=O)[O-])C=C(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300018590961	1	38	0.0	-80.78	323.21	3.29	-77.49
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018590963	1	45	0.0	-92.76	380.61	6.12	-86.64
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018590963	1	45	0.0	-91.01	379.43	6.07	-84.94
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018590964	1	45	0.0	-92.76	380.61	6.12	-86.64
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018590964	1	45	0.0	-91.01	379.43	6.07	-84.94
CC1=CC(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018590966	0	48	0.0	-92.04	391.74	5.92	-86.12
CC1=CC(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018590966	1	48	0.0	-92.89	391.82	5.90	-86.99
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1	REAL300018590967	1	47	0.0	-81.19	377.09	3.69	-77.50
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1	REAL300018590967	1	47	0.0	-81.99	376.95	3.65	-78.34
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018590968	1	42	0.0	-88.62	349.37	4.44	-84.18
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018590968	1	42	0.0	-87.59	349.51	4.45	-83.14
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018590969	1	42	0.0	-88.62	349.37	4.44	-84.18
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018590969	1	42	0.0	-87.59	349.51	4.45	-83.14
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CSC(C(=O)[O-])=C2)C1	REAL300018590970	1	35	0.0	-81.87	309.83	3.27	-78.60
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CSC(C(=O)[O-])=C2)C1	REAL300018590970	1	35	0.0	-82.32	309.32	3.24	-79.08
CC(OC1=CC=C(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C=C1)C(=O)[O-]	REAL300018590971	1	45	0.0	-88.79	367.39	5.04	-83.75
CC(OC1=CC=C(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C=C1)C(=O)[O-]	REAL300018590971	1	45	0.0	-89.43	367.31	5.04	-84.39
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C=C1	REAL300018590972	1	45	0.0	-84.40	378.63	4.26	-80.14
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C=C1	REAL300018590972	1	45	0.0	-88.84	378.26	4.24	-84.60
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(C=CC(=O)[O-])O2)C1	REAL300018590973	1	39	0.0	-91.09	337.53	2.37	-88.72
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(C=CC(=O)[O-])O2)C1	REAL300018590973	1	39	0.0	-88.84	336.28	2.26	-86.58
CC1=C(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)C=C(C(=O)[O-])O1	REAL300018590974	1	38	0.0	-85.23	323.67	3.37	-81.86
CC1=C(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)C=C(C(=O)[O-])O1	REAL300018590974	1	38	0.0	-83.99	321.72	3.34	-80.65
CC1=C(C(=O)[O-])OC(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300018590975	1	38	0.0	-78.26	320.14	3.28	-74.98
CC1=C(C(=O)[O-])OC(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)=C1	REAL300018590975	1	38	0.0	-80.85	320.88	3.38	-77.47
CCC1=C(C(=O)[O-])C=C(C[N@@H+]2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300018590980	1	41	0.0	-79.90	342.14	3.98	-75.92
CCC1=C(C(=O)[O-])C=C(C[N@H+]2CC[C@H](NS(C)(=O)=O)C2)O1	REAL300018590980	1	41	0.0	-81.22	343.07	4.00	-77.22
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018590981	1	48	0.0	-83.55	394.59	5.70	-77.85
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018590981	1	48	0.0	-79.21	399.63	5.79	-73.42
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300018590984	1	38	0.0	-87.34	321.03	4.07	-83.27
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=C(F)C(C(=O)[O-])=C2)C1	REAL300018590984	1	38	0.0	-90.01	323.26	4.19	-85.82
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C1	REAL300018590985	1	38	0.0	-91.26	346.27	4.81	-86.45
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C1	REAL300018590985	1	38	0.0	-90.24	344.94	4.76	-85.48
CC1=CC(C(=O)[O-])=NC=C1C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1	REAL300018590990	1	40	0.0	-94.22	331.45	3.02	-91.20
CC1=CC(C(=O)[O-])=NC=C1C[N@H+]1CC[C@H](NS(C)(=O)=O)C1	REAL300018590990	1	40	0.0	-94.73	331.50	2.98	-91.75
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC=CN3C(C(=O)[O-])=CN=C23)C1	REAL300018590991	1	41	0.0	-88.75	339.72	4.50	-84.25
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC=CN3C(C(=O)[O-])=CN=C23)C1	REAL300018590991	1	41	0.0	-89.95	346.27	2.97	-86.98
CS(=O)(=O)N[C@H]1CC[N@H+](CC2=CC(C(=O)[O-])=CC=C2O)C1	REAL300018590996	0	39	0.0	-76.83	327.84	1.40	-75.43
CS(=O)(=O)N[C@H]1CC[N@@H+](CC2=CC(C(=O)[O-])=CC=C2O)C1	REAL300018590996	1	39	0.0	-80.22	327.96	1.63	-78.59
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]C2CCCSCC2)O1	REAL300018590998	0	44	0.0	-64.22	350.30	11.01	-53.21
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]C2CCCSCC2)C=C1	REAL300018590999	0	51	0.0	-74.95	401.53	11.73	-63.22
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]C3CCCSCC3)O2)C=C1	REAL300018591000	0	44	0.0	-84.65	351.47	10.23	-74.42
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C(F)=C2)C(=O)[O-])C=C1	REAL300018592415	0	43	0.0	-31.49	352.14	9.83	-21.66
CCOC1=CC=C(C([NH2+]C(C)CCC=C(C)C)C(=O)[O-])C=C1	REAL300018592417	0	49	0.0	-31.27	370.42	10.13	-21.14
CCOC1=CC=C(C([NH2+]C2CC(C)(C)CC(C)(C)C2)C(=O)[O-])C=C1	REAL300018592418	0	55	0.0	-32.05	395.86	10.43	-21.62
CCOC1=CC=C(C([NH2+]C(C)CCC2=CNC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018592419	0	53	0.0	-35.37	410.73	11.23	-24.14
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OC)=C2Cl)C(=O)[O-])C=C1	REAL300018592420	0	48	0.0	-36.52	397.74	8.83	-27.69
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C(=O)[O-])C=C1	REAL300018592421	1	47	0.0	-34.05	394.11	11.78	-22.27
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3S2)C(=O)[O-])C=C1	REAL300018592422	1	43	0.0	-34.33	364.13	10.69	-23.64
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C=C2)C(=O)[O-])C=C1	REAL300018592423	0	50	0.0	-32.29	394.70	9.97	-22.32
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C=C1	REAL300018592424	0	62	0.0	-32.89	484.27	13.27	-19.62
CCOC1=CC=C(C([NH2+]CC(C)CC2=CC=C(C(C)(C)C)C=C2)C(=O)[O-])C=C1	REAL300018592425	0	61	0.0	-32.68	457.78	13.47	-19.21
CCOC1=CC=C(C([NH2+]CC2=CC=C(F)C(C)=C2)C(=O)[O-])C=C1	REAL300018592426	0	43	0.0	-33.19	351.53	9.81	-23.38
CCOC1=CC=C(C([NH2+]CC2=C3NC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018592427	0	44	0.0	-32.03	358.11	9.16	-22.87
CCOC1=CC=C(C([NH2+]C2CC(C)CC(C)C2)C(=O)[O-])C=C1	REAL300018592429	0	49	0.0	-32.45	359.51	9.49	-22.96
CCOC1=CC=C(C([NH2+]CC2=CC=C(CC(C)C)C=C2)C(=O)[O-])C=C1	REAL300018592430	0	52	0.0	-30.98	406.57	11.81	-19.17
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(C)C=C3)=C2)C(=O)[O-])C=C1	REAL300018592431	0	53	0.0	-33.25	420.42	13.19	-20.06
CCOC1=CC=C(C([NH2+]CC2=CC(C)=CC(C)=C2)C(=O)[O-])C=C1	REAL300018592432	0	46	0.0	-30.91	368.24	10.45	-20.46
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=CC=C2Br)C(=O)[O-])C=C1	REAL300018592433	0	44	0.0	-29.87	368.67	8.96	-20.91
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C([N+](=O)[O-])=C2)C(=O)[O-])C=C1	REAL300018592434	0	46	0.0	-47.28	382.25	9.90	-37.38
CCOC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018592435	0	40	0.0	-33.04	360.21	10.17	-22.87
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CC=C3C)=C2)C(=O)[O-])C=C1	REAL300018592436	0	53	0.0	-31.47	420.86	13.18	-18.29
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300018592437	0	44	0.0	-34.12	366.00	8.74	-25.38
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCC)C(OCC)=C2)C(=O)[O-])C=C1	REAL300018592438	0	54	0.0	-35.53	427.88	10.16	-25.37
CCOC1=CC=C(C([NH2+]C2CCC(C(C)C)CC2)C(=O)[O-])C=C1	REAL300018592439	0	52	0.0	-29.08	374.95	10.47	-18.61
CCOC1=CC=C(C([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592440	0	43	0.0	-34.41	378.63	10.58	-23.83
CCOC1=CC=C(C([NH2+]CC2=CC=C(F)C=C2Br)C(=O)[O-])C=C1	REAL300018592441	0	40	0.0	-32.38	344.30	9.63	-22.75
CCOC1=CC=C(C([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C(=O)[O-])C=C1	REAL300018592442	0	43	0.0	-39.58	366.34	8.26	-31.32
CCOC1=CC=C(C([NH2+]CC2=CC=NC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018592443	0	45	0.0	-34.02	357.98	9.27	-24.75
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592444	0	44	0.0	-32.01	371.42	8.92	-23.09
CCOC1=CC=C(C([NH2+]CC2=CC=C(S(C)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018592445	0	46	0.0	-40.84	387.44	6.68	-34.16
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC=C3OC)C=C2)C(=O)[O-])C=C1	REAL300018592446	0	54	0.0	-33.73	434.96	12.22	-21.51
CCOC1=CC=C(C([NH2+]C(C)CCOCC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018592447	0	53	0.0	-33.73	413.47	10.50	-23.23
CCOC1=CC=C(C([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018592448	0	47	0.0	-35.24	385.32	11.42	-23.82
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C(=O)[O-])C=C1	REAL300018592449	0	50	0.0	-33.82	416.36	13.06	-20.76
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C(=O)[O-])C=C1	REAL300018592450	0	50	0.0	-33.17	415.75	13.03	-20.14
CCOC1=CC=C(C([NH2+]C(C)CCCC(C)C)C(=O)[O-])C=C1	REAL300018592451	0	51	0.0	-30.93	379.43	10.23	-20.70
CCOC1=CC=C(C([NH2+]CC2=CC=C(CC)S2)C(=O)[O-])C=C1	REAL300018592452	1	43	0.0	-29.23	360.35	9.85	-19.38
CCOC1=CC=C(C([NH2+]CC2=CC=C3OCCC3=C2)C(=O)[O-])C=C1	REAL300018592454	0	45	0.0	-33.76	361.31	8.97	-24.79
CCOC1=CC=C(C([NH2+]CC2=CSC(Br)=C2)C(=O)[O-])C=C1	REAL300018592455	0	37	0.0	-33.97	338.40	8.84	-25.13
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018592456	0	51	0.0	-32.73	399.34	9.03	-23.70
CCOC1=CC=C(C([NH2+]CC2=CC=CC(NS(C)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018592457	0	48	0.0	-39.94	399.01	5.85	-34.09
CCOC1=CC=C(C([NH2+]CC2=C3C=CNC3=CC=C2)C(=O)[O-])C=C1	REAL300018592458	0	44	0.0	-31.06	357.92	9.18	-21.88
CCOC1=CC=C(C([NH2+]CC2=CC=C3C=CNC3=C2)C(=O)[O-])C=C1	REAL300018592459	0	44	0.0	-33.08	356.79	9.15	-23.93
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=CS2)C(=O)[O-])C=C1	REAL300018592461	0	43	0.0	-31.58	350.44	9.56	-22.02
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C(=O)[O-])C=C1	REAL300018592462	0	43	0.0	-29.50	364.99	8.22	-21.28
CCOC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CCC3=C2)C(=O)[O-])C=C1	REAL300018592463	0	54	0.0	-32.65	417.37	10.99	-21.66
CCOC1=CC=C(C([NH2+]C(C)CC(C)(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018592464	0	55	0.0	-30.31	402.43	12.03	-18.28
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300018592465	0	49	0.0	-33.78	394.04	10.75	-23.03
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C(=O)[O-])C=C1	REAL300018592466	0	49	0.0	-36.09	396.16	10.81	-25.28
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3CCN(C)CC3)C=C2)C(=O)[O-])C=C1	REAL300018592467	1	57	0.0	-32.57	435.96	7.86	-24.71
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C(=O)[O-])C=C1	REAL300018592468	0	49	0.0	-36.92	408.07	7.66	-29.26
CCOC1=CC=C(C([NH2+]C2CCN(C3=CN=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018592469	0	50	0.0	-36.72	384.62	6.92	-29.80
CCOC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=N3)CC2)C(=O)[O-])C=C1	REAL300018592470	0	54	0.0	-32.92	412.53	7.66	-25.26
CCOC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018592471	0	47	0.0	-38.38	391.99	10.44	-27.94
CCOC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018592472	0	47	0.0	-37.46	400.98	10.86	-26.60
CCOC1=CC=C(C([NH2+]CC2=CN(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018592473	0	49	0.0	-35.52	389.50	8.98	-26.54
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592474	0	47	0.0	-36.71	397.67	9.85	-26.86
CCOC1=CC=C(C([NH2+]CC2=CN=C(N3CCCC3)N=C2)C(=O)[O-])C=C1	REAL300018592476	0	50	0.0	-36.23	395.76	9.03	-27.20
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C(=O)[O-])C=C1	REAL300018592477	0	53	0.0	-37.29	432.89	10.68	-26.61
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018592478	0	53	0.0	-33.57	428.84	10.69	-22.88
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OCCOC)=C2)C(=O)[O-])C=C1	REAL300018592480	0	51	0.0	-32.48	409.79	8.60	-23.88
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(Cl)=C2)C(=O)[O-])C=C1	REAL300018592481	0	44	0.0	-36.47	370.95	8.97	-27.50
CCOC1=CC=C(C([NH2+]CC2=CC(Br)=CN=C2OC)C(=O)[O-])C=C1	REAL300018592483	0	43	0.0	-32.96	373.81	6.53	-26.43
CCOC1=CC=C(C([NH2+]CC2=CC=CN=C2OC)C(=O)[O-])C=C1	REAL300018592484	0	43	0.0	-28.66	351.16	5.90	-22.76
CCOC1=CC=C(C([NH2+]CC2=CC=C(Br)C=N2)C(=O)[O-])C=C1	REAL300018592485	0	39	0.0	-35.68	341.10	7.88	-27.80
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=NC=CC=C23)C(=O)[O-])C=C1	REAL300018592487	0	45	0.0	-33.48	361.51	9.39	-24.09
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OCC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592488	0	47	0.0	-37.27	397.67	9.85	-27.42
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCO3)C(=O)[O-])C=C1	REAL300018592490	0	46	0.0	-29.42	368.28	8.35	-21.07
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2OCCCO3)C(=O)[O-])C=C1	REAL300018592491	0	49	0.0	-36.73	386.57	9.19	-27.54
CCOC1=CC=C(C([NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)C(=O)[O-])C=C1	REAL300018592492	0	47	0.0	-32.97	385.57	11.37	-21.60
CCOC1=CC=C(C([NH2+]C2CC(C3=CC=CC=C3Cl)C2)C(=O)[O-])C=C1	REAL300018592493	0	47	0.0	-33.10	384.41	11.31	-21.79
CCOC1=CC=C(C([NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)C(=O)[O-])C=C1	REAL300018592494	0	48	0.0	-36.83	395.91	10.44	-26.39
CCOC1=CC=C(C([NH2+]CC2=CN=C(N3CCOCC3)N=C2)C(=O)[O-])C=C1	REAL300018592495	0	51	0.0	-36.75	403.57	7.50	-29.25
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)=C1	REAL300018592496	0	50	0.0	-30.49	397.66	10.13	-20.36
CCOC1=CC=C(C([NH2+]C(C)CN2C=NC=N2)C(=O)[O-])C=C1	REAL300018592497	0	42	0.0	-38.33	334.63	9.48	-28.85
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C=C1	REAL300018592498	0	49	0.0	-33.96	405.38	10.71	-23.25
CCOC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=C3)=CS2)C(=O)[O-])C=C1	REAL300018592499	1	47	0.0	-31.19	391.47	11.72	-19.47
CCOC1=CC=C(C([NH2+]CC2=CC=C(F)C(C3=CC=CS3)=C2)C(=O)[O-])C=C1	REAL300018592500	0	47	0.0	-33.32	403.45	11.94	-21.38
CCOC1=CC=C(C([NH2+]CC2=CC3=C(C)NN=C3N=C2)C(=O)[O-])C=C1	REAL300018592501	0	45	0.0	-45.44	369.80	7.67	-37.77
CCOC1=CC=C(C([NH2+]CC2=CN=C(C)N=C2)C(=O)[O-])C=C1	REAL300018592502	0	41	0.0	-35.39	338.23	7.14	-28.25
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OC3CCCC3)=C2)C(=O)[O-])C=C1	REAL300018592503	0	54	0.0	-34.32	420.83	11.36	-22.96
CCOC1=CC=C(C([NH2+]CC2=CN=C3C=CC=CN23)C(=O)[O-])C=C1	REAL300018592505	0	43	0.0	-32.82	351.65	9.54	-23.28
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OC(C)C)=C2)C(=O)[O-])C=C1	REAL300018592507	0	50	0.0	-32.30	394.70	9.98	-22.32
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(F)=C2)C(=O)[O-])C=C1	REAL300018592513	0	49	0.0	-33.60	389.99	11.33	-22.27
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(C)=C2)C(=O)[O-])C=C1	REAL300018592514	0	52	0.0	-32.77	403.69	11.89	-20.88
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592515	0	52	0.0	-33.27	421.02	12.22	-21.05
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=C(C)C=C2)C(=O)[O-])C=C1	REAL300018592516	0	52	0.0	-33.50	400.68	11.87	-21.63
CCOC1=CC=C(C([NH2+]C2CCC(F)(F)CC2)C(=O)[O-])C=C1	REAL300018592517	0	43	0.0	-33.06	335.98	8.65	-24.41
CCOC1=CC=C(C([NH2+]C2CCN(C(C)C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018592518	0	55	0.0	-33.86	420.70	9.77	-24.09
CCOC1=CC=C(C(NC2CC[NH+](CC3CC3)CC2)C(=O)[O-])C=C1	REAL300018592519	1	52	0.0	-55.52	394.78	9.65	-45.87
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC(F)=C3)S2)C(=O)[O-])C=C1	REAL300018592522	1	47	0.0	-36.12	399.07	11.95	-24.17
CCOC1=CC=C(C([NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)C(=O)[O-])C=C1	REAL300018592523	0	52	0.0	-35.21	403.00	9.50	-25.71
CCOC1=CC=C(C([NH2+]CC2=CC3=NC=CN=C3C=C2)C(=O)[O-])C=C1	REAL300018592524	0	44	0.0	-39.05	362.79	7.56	-31.49
CCOC1=CC=C(C([NH2+]CC2=CN3C=C(Cl)C=CC3=N2)C(=O)[O-])C=C1	REAL300018592525	0	43	0.0	-38.06	370.44	10.17	-27.89
CCOC1=CC=C(C(NC2CC[NH+](CC(C)C)CC2)C(=O)[O-])C=C1	REAL300018592527	1	54	0.0	-53.17	398.77	9.43	-43.74
CCOC1=CC=C(C([NH2+]CC2=C(C)SC(C)=C2)C(=O)[O-])C=C1	REAL300018592528	1	43	0.0	-29.22	353.97	9.63	-19.59
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1	REAL300018592529	1	50	0.0	-34.21	415.98	12.62	-21.59
CCOC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2OC)C(=O)[O-])C=C1	REAL300018592530	0	44	0.0	-30.56	387.70	9.57	-20.99
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C=C1	REAL300018592531	0	46	0.0	-35.85	383.89	9.93	-25.92
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=C(OCC)C(OC)=C2)C(=O)[O-])C=C1	REAL300018592532	0	55	0.0	-36.88	440.50	9.21	-27.67
CCOC1=CC=C(C([NH2+]C2CCN(CC3=CC=NC=C3)CC2)C(=O)[O-])C=C1	REAL300018592533	0	54	0.0	-33.98	412.86	7.94	-26.04
CCOC1=CC=C(C(NC2CC[NH+](C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300018592534	1	54	0.0	-56.28	394.04	8.98	-47.30
CCOC1=CC=C(C([NH2+]CC2=CC=C(SC)C(OC)=C2)C(=O)[O-])C=C1	REAL300018592535	0	48	0.0	-35.65	395.66	9.50	-26.15
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OC(C)CC)=C2)C(=O)[O-])C=C1	REAL300018592536	0	57	0.0	-35.19	446.02	10.70	-24.49
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)=CC=C1OC	REAL300018592537	0	55	0.0	-35.63	438.31	10.60	-25.03
CCOC1=CC=C(C([NH2+]C2CCN(CCN3CCOCC3)CC2)C(=O)[O-])C=C1	REAL300018592538	0	61	0.0	-34.07	446.94	5.08	-28.99
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)=CC=C1OC	REAL300018592539	0	54	0.0	-35.26	430.32	9.38	-25.88
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300018592542	0	52	0.0	-34.81	396.50	11.62	-23.19
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592545	0	52	0.0	-37.40	418.23	12.21	-25.19
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C=C1Cl	REAL300018592546	0	48	0.0	-36.55	405.71	10.48	-26.07
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=CC3=C2OC(C)C3)C(=O)[O-])C=C1	REAL300018592548	0	52	0.0	-33.70	411.86	9.02	-24.68
CCOC1=CC=C(C([NH2+]CC2=C3C=CC=CC3=NN2)C(=O)[O-])C=C1	REAL300018592550	0	43	0.0	-35.25	351.70	7.72	-27.53
CCOC1=CC=C(C([NH2+]CC2=CC=C(N(C)C)C(F)=C2)C(=O)[O-])C=C1	REAL300018592551	0	48	0.0	-33.24	387.64	8.71	-24.53
CCOC1=CC=C(C(NC2CC[NH+](C3CCCCC3C)CC2)C(=O)[O-])C=C1	REAL300018592553	1	61	0.0	-53.68	430.06	10.90	-42.78
CCOC1=CC=C(C([NH2+]C(CC2=CC=CC(Cl)=C2)CC(C)C)C(=O)[O-])C=C1	REAL300018592554	0	55	0.0	-38.33	434.70	12.89	-25.44
CCOC1=CC=C(C([NH2+]CC2=CC=C3OC(C)(C)CC3=C2)C(=O)[O-])C=C1	REAL300018592555	0	51	0.0	-33.30	402.22	10.36	-22.94
CCOC1=CC=C(C([NH2+]C(C)CC2=CSC=C2)C(=O)[O-])C=C1	REAL300018592559	0	43	0.0	-34.48	350.31	9.36	-25.12
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=CC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592561	0	47	0.0	-33.33	393.03	9.40	-23.93
CCOC1=CC=C(C([NH2+]CC2=CC=C(Br)C=C2Cl)C(=O)[O-])C=C1	REAL300018592562	0	40	0.0	-32.90	359.85	10.22	-22.68
CCOC1=CC=C(C([NH2+]CC2=CC=CN=C2C)C(=O)[O-])C=C1	REAL300018592563	0	42	0.0	-31.49	335.37	7.84	-23.65
CCOC1=CC=C(C([NH2+]C(C)CSC(C)(C)C)C(=O)[O-])C=C1	REAL300018592564	0	49	0.0	-27.22	378.78	9.85	-17.37
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCC(C)C)C=C2)C(=O)[O-])C=C1	REAL300018592567	0	53	0.0	-32.84	418.38	10.85	-21.99
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCCOC)C=C2)C(=O)[O-])C=C1	REAL300018592568	0	51	0.0	-35.67	410.40	8.62	-27.05
CCOC1=CC=C(C([NH2+]C(COC)CC(C)C)C(=O)[O-])C=C1	REAL300018592569	0	49	0.0	-27.13	370.47	7.78	-19.35
CCOC1=CC=C(C([NH2+]C(CC)CC2=CC=C(Cl)C=C2Cl)C(=O)[O-])C=C1	REAL300018592570	0	49	0.0	-28.72	405.82	11.84	-16.88
CCOC1=CC=C(C([NH2+]CC2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300018592571	0	52	0.0	-32.52	380.40	10.34	-22.18
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)C(=O)[O-])C=C1	REAL300018592572	0	44	0.0	-36.03	380.71	9.25	-26.78
CCOC1=CC=C(C([NH2+]CC2=CC=C(N(C)C)C=C2C)C(=O)[O-])C=C1	REAL300018592573	0	51	0.0	-30.03	390.72	10.08	-19.95
CCOC1=CC=C(C([NH2+]CC2=CC=C3CCCC3=C2)C(=O)[O-])C=C1	REAL300018592574	0	47	0.0	-31.54	370.94	11.03	-20.51
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=CC=C2C)C(=O)[O-])C=C1	REAL300018592575	0	49	0.0	-34.38	376.12	10.87	-23.51
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=CC(C)=C2)C(=O)[O-])C=C1	REAL300018592576	0	49	0.0	-34.44	381.57	11.09	-23.35
CCOC1=CC=C(C([NH2+]CC2=CC3=C(C=C2OC)OCO3)C(=O)[O-])C=C1	REAL300018592577	0	47	0.0	-32.18	380.89	7.17	-25.01
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=C(OC)C=C2Cl)C(=O)[O-])C=C1	REAL300018592578	0	48	0.0	-28.90	395.97	8.81	-20.09
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OCC(C)C)=C2)C(=O)[O-])C=C1	REAL300018592580	0	53	0.0	-34.11	419.71	10.88	-23.23
CCOC1=CC=C(C([NH2+]CC2=CC=C(F)C3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018592581	0	46	0.0	-32.90	369.89	11.24	-21.66
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(CN3C=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018592582	0	54	0.0	-35.32	437.02	10.10	-25.22
CCOC1=CC=C(C([NH2+]CCC2CCOCC2)C(=O)[O-])C=C1	REAL300018592583	0	47	0.0	-34.39	358.24	7.64	-26.75
CCOC1=CC=C(C([NH2+]CC2CCSCC2)C(=O)[O-])C=C1	REAL300018592584	0	44	0.0	-34.22	347.33	9.20	-25.02
CCOC1=CC=C(C([NH2+]CC2CCCCCC2)C(=O)[O-])C=C1	REAL300018592585	0	49	0.0	-31.52	358.93	9.94	-21.58
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2OC(C)(C)C3)C(=O)[O-])C=C1	REAL300018592586	0	51	0.0	-27.93	403.98	10.37	-17.56
CCOC1=CC=C(C([NH2+]CC2=CC=NC=C2Br)C(=O)[O-])C=C1	REAL300018592588	1	39	0.0	-32.22	332.38	7.82	-24.40
CCOC1=CC=C(C([NH2+]CC2=CC=NC=C2Cl)C(=O)[O-])C=C1	REAL300018592589	0	39	0.0	-33.02	330.33	7.77	-25.25
CCOC1=CC=C(C([NH2+]CC2=CC(F)=CC(Br)=C2)C(=O)[O-])C=C1	REAL300018592590	0	40	0.0	-33.61	354.45	9.84	-23.77
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300018592592	0	46	0.0	-39.35	382.21	10.95	-28.40
CCOC1=CC=C(C([NH2+]CC2=CN=C(CC)N=C2)C(=O)[O-])C=C1	REAL300018592593	0	44	0.0	-35.33	359.70	7.74	-27.59
CCOC1=CC=C(C([NH2+]CC2=CC=CC(N3C=CC=N3)=C2)C(=O)[O-])C=C1	REAL300018592594	0	47	0.0	-40.20	383.78	10.32	-29.88
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3C=C2)C(=O)[O-])C=C1	REAL300018592597	0	45	0.0	-35.05	365.81	9.58	-25.47
CCOC1=CC=C(C([NH2+]CC2=CC(C)=C(Br)S2)C(=O)[O-])C=C1	REAL300018592598	1	40	0.0	-29.74	356.93	9.56	-20.18
CCOC1=CC=C(C([NH2+]C2CCN(S(C)(=O)=O)CC2)C(=O)[O-])C=C1	REAL300018592600	0	48	0.0	-45.11	378.45	4.90	-40.21
CCOC1=CC=C(C([NH2+]CC2=CC=C(F)C=N2)C(=O)[O-])C=C1	REAL300018592601	0	39	0.0	-36.95	328.11	7.41	-29.54
CCOC1=CC=C(C([NH2+]CC2=CC(F)=CC(OC)=C2)C(=O)[O-])C=C1	REAL300018592603	0	44	0.0	-33.62	362.65	8.52	-25.10
CCOC1=CC=C(C([NH2+]C(C)CC2=CN=CC=N2)C(=O)[O-])C=C1	REAL300018592604	0	44	0.0	-34.58	347.85	7.46	-27.12
CCOC1=CC=C(C([NH2+]CC2=CN=C(C(C)(C)C)N=C2)C(=O)[O-])C=C1	REAL300018592605	0	50	0.0	-34.58	397.05	9.08	-25.50
CCOC1=CC=C(C([NH2+]C2CCN(C3=CC=CC=C3OC)CC2)C(=O)[O-])C=C1	REAL300018592606	0	56	0.0	-33.77	422.53	9.04	-24.73
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C=C2Cl)C(=O)[O-])C=C1	REAL300018592607	0	43	0.0	-31.72	359.98	10.27	-21.45
CCOC1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)C(=O)[O-])C=C1	REAL300018592608	0	42	0.0	-39.20	365.48	10.15	-29.05
CCOC1=CC=C(C([NH2+]CCC2=CC=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018592609	0	43	0.0	-35.78	363.66	10.41	-25.37
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC3=CC=CN=C3)C(C)=C2)C(=O)[O-])C=C1	REAL300018592610	0	53	0.0	-36.26	429.88	10.87	-25.39
CCOC1=CC=C(C([NH2+]CC2=CN=C(C3=CC=C(C)C=C3)S2)C(=O)[O-])C=C1	REAL300018592611	1	49	0.0	-32.53	413.18	10.87	-21.66
CCOC1=CC=C(C([NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018592612	0	45	0.0	-29.13	383.20	10.20	-18.93
CCOC1=CC=C(C([NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)C(=O)[O-])C=C1	REAL300018592613	0	45	0.0	-30.47	379.17	10.05	-20.42
CCOC1=CC=C(C([NH2+]CC2=CC=C(S(C)=O)C=C2)C(=O)[O-])C=C1	REAL300018592614	0	45	0.0	-46.59	378.95	7.75	-38.84
CCOC1=CC=C(C([NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)C(=O)[O-])C=C1	REAL300018592615	0	42	0.0	-38.61	364.14	10.18	-28.43
CCOC1=CC=C(C([NH2+]C2CCOC(CC)C2)C(=O)[O-])C=C1	REAL300018592619	0	47	0.0	-32.49	358.58	7.74	-24.75
CCOC1=CC=C(C([NH2+]C2CCOC(C(C)C)C2)C(=O)[O-])C=C1	REAL300018592620	0	50	0.0	-32.23	375.77	8.27	-23.96
CCOC1=CC=C(C([NH2+]CC2=CC=C3CCCCC3=C2)C(=O)[O-])C=C1	REAL300018592621	0	50	0.0	-31.23	389.44	11.65	-19.58
CCOC1=CC=C(C([NH2+]C2CCC(C3CCCCC3)CC2)C(=O)[O-])C=C1	REAL300018592622	0	59	0.0	-29.10	415.96	12.34	-16.76
CCOC1=CC=C(C([NH2+]C(C)CC(C)CC(C)C)C(=O)[O-])C=C1	REAL300018592623	0	54	0.0	-32.59	396.76	10.47	-22.12
CCOC1=CC=C(C([NH2+]CC(C)C2=CC=C(C)C=C2)C(=O)[O-])C=C1	REAL300018592624	0	49	0.0	-34.58	384.15	11.14	-23.44
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(C(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300018592625	0	56	0.0	-32.33	426.09	11.11	-21.22
CCOC1=CC=C(C([NH2+]CC2=CC=CC(OC(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300018592627	0	53	0.0	-34.47	407.15	10.30	-24.17
CCOC1=CC=C(C([NH2+]CC(C)C2CCCCC2)C(=O)[O-])C=C1	REAL300018592628	0	52	0.0	-32.64	382.60	10.58	-22.06
CCOC1=CC=C(C([NH2+]CC2=CC=C(S(N)(=O)=O)C=C2)C(=O)[O-])C=C1	REAL300018592629	0	45	0.0	-40.19	379.66	4.08	-36.11
CCOC1=CC=C(C([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C(=O)[O-])C=C1	REAL300018592630	0	47	0.0	-34.51	376.74	11.07	-23.44
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCC)C=C2C)C(=O)[O-])C=C1	REAL300018592631	0	50	0.0	-31.48	389.56	9.90	-21.58
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C=C2OC)C(=O)[O-])C=C1	REAL300018592632	0	47	0.0	-32.17	376.31	9.18	-22.99
CCOC1=CC=C(C([NH2+]CC2=CC(Cl)=CC(Cl)=C2N)C(=O)[O-])C=C1	REAL300018592633	0	42	0.0	-28.99	363.53	8.32	-20.67
CCOC1=CC=C(C([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C(=O)[O-])C=C1	REAL300018592634	0	50	0.0	-34.98	391.63	11.47	-23.51
CCOC1=CC=C(C([NH2+]CC2=CC(COC)=CS2)C(=O)[O-])C=C1	REAL300018592636	1	44	0.0	-33.04	372.26	7.99	-25.05
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)S1	REAL300018592637	1	46	0.0	-28.83	380.53	10.60	-18.23
CCOC1=CC=C(C([NH2+]CC2=CC=CC([N+](=O)[O-])=C2C)C(=O)[O-])C=C1	REAL300018592640	0	45	0.0	-34.62	364.37	10.28	-24.34
CCOC1=CC=C(C([NH2+]CC2=CC=C(Br)C(C)=C2)C(=O)[O-])C=C1	REAL300018592641	0	43	0.0	-32.36	364.31	10.29	-22.07
CCOC1=CC=C(C([NH2+]CC2=CC=C(Cl)C(OC)=C2)C(=O)[O-])C=C1	REAL300018592642	0	44	0.0	-34.65	370.96	8.97	-25.68
CCOC1=CC=C(C([NH2+]CC2=CSC(C)=C2)C(=O)[O-])C=C1	REAL300018592643	1	40	0.0	-31.10	338.59	8.92	-22.18
CCOC1=CC=C(C([NH2+]CC2=C3OC=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018592644	0	43	0.0	-35.47	354.09	9.48	-25.99
CCOC1=CC=C(C([NH2+]CC2=CN(C)N=C2CC)C(=O)[O-])C=C1	REAL300018592647	0	46	0.0	-35.00	370.66	8.27	-26.73
CCOC1=CC=C(C([NH2+]CC2=CC=CC(CC)=C2)C(=O)[O-])C=C1	REAL300018592649	0	46	0.0	-31.22	368.31	10.56	-20.66
CCOC1=CC=C(C([NH2+]C2CC3=CC=C(Cl)C=C3C2)C(=O)[O-])C=C1	REAL300018592651	0	44	0.0	-34.68	365.28	10.74	-23.94
CCOC1=CC=C(C([NH2+]C2CCC3(CC3)CC2)C(=O)[O-])C=C1	REAL300018592653	0	47	0.0	-32.11	356.29	9.82	-22.29
CCOC1=CC=C(C([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C(=O)[O-])C=C1	REAL300018592655	0	43	0.0	-32.81	368.37	10.04	-22.77
CCOC1=CC=C(C([NH2+]C2C[C@@H]3CC[C@@H](C3)C2)C(=O)[O-])C=C1	REAL300018592656	0	47	0.0	-28.20	328.80	10.02	-18.18
CCOC1=CC=C(C([NH2+]CC2=CN=C3C(C)=CC=CN23)C(=O)[O-])C=C1	REAL300018592657	0	46	0.0	-32.68	373.10	10.13	-22.55
CCOC1=CC=C(C([NH2+]CC2=CN=C(Cl)N2C)C(=O)[O-])C=C1	REAL300018592659	0	40	0.0	-35.57	341.77	8.00	-27.57
CCOC1=CC=C(C([NH2+]CC2=CN=C(Br)N2C)C(=O)[O-])C=C1	REAL300018592660	0	40	0.0	-35.54	346.06	8.03	-27.51
CCOC1=CC=C(C([NH2+]CC2=CC(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018592662	0	40	0.0	-37.10	347.82	6.49	-30.61
CCOC1=CC=C(C([NH2+]CC2=CC3=C(F)C=CC=C3N2)C(=O)[O-])C=C1	REAL300018592664	0	44	0.0	-37.22	365.12	9.18	-28.04
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=C(F)C=C3N2)C(=O)[O-])C=C1	REAL300018592665	0	44	0.0	-34.14	363.73	9.15	-24.99
CCOC1=CC=C(C([NH2+]CC2=CC=CC(Cl)=C2C)C(=O)[O-])C=C1	REAL300018592667	0	43	0.0	-29.67	354.28	10.18	-19.49
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=NC=C3S2)C(=O)[O-])C=C1	REAL300018592668	1	42	0.0	-36.21	357.55	8.87	-27.34
CCOC1=CC=C(C([NH2+]CC2=CN=C3C=CC=C(C)N23)C(=O)[O-])C=C1	REAL300018592669	0	46	0.0	-34.87	364.11	9.97	-24.90
CCOC1=CC=C(C([NH2+]C(C)CCC2=NNC3=CC=CC=C32)C(=O)[O-])C=C1	REAL300018592670	0	52	0.0	-37.69	406.35	9.81	-27.88
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300018592671	0	52	0.0	-31.47	396.18	11.05	-20.42
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(OCC)C=C1	REAL300018592672	0	49	0.0	-31.50	375.34	10.31	-21.19
CCOC1=CC=C(C([NH2+]CC2=CC(C)=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018592673	0	43	0.0	-33.72	364.88	10.32	-23.40
CCOC1=CC=C(C([NH2+]CC2=CC=C(COC)C=C2)C(=O)[O-])C=C1	REAL300018592674	0	47	0.0	-33.12	380.48	8.86	-24.26
CCOC1=CC=C(C([NH2+]C(COC)CC(C)(C)C)C(=O)[O-])C=C1	REAL300018592675	0	52	0.0	-26.08	381.71	8.52	-17.56
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C(=O)[O-])C=C1	REAL300018592676	0	45	0.0	-42.04	372.84	9.56	-32.48
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=CN=C3C(C)=C2)C(=O)[O-])C=C1	REAL300018592677	0	48	0.0	-34.97	387.99	10.34	-24.63
CCOC1=CC=C(C([NH2+]C2CCCC(C(C)C)C2)C(=O)[O-])C=C1	REAL300018592678	0	52	0.0	-32.66	381.42	10.25	-22.41
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C=C1C	REAL300018592680	0	53	0.0	-32.55	417.74	10.88	-21.67
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3C=C2OC)C(=O)[O-])C=C1	REAL300018592682	0	50	0.0	-29.30	400.56	10.80	-18.50
CCOC1=CC=C(C([NH2+]C2CCCC(CC)C2)C(=O)[O-])C=C1	REAL300018592683	0	49	0.0	-32.47	363.94	9.78	-22.69
CCOC1=CC=C(C([NH2+]CC2=CC=CC(F)=C2N)C(=O)[O-])C=C1	REAL300018592685	0	42	0.0	-31.33	339.95	7.36	-23.97
CCOC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1	REAL300018592686	0	58	0.0	-32.44	435.81	10.33	-22.11
CCOC1=CC=C(C(NC2CC[N@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1	REAL300018592686	1	58	0.0	-53.67	436.55	11.97	-41.70
CCOC1=CC=C(C(NC2CC[N@@H+](CC3=CC=CC=C3)C(C)C2)C(=O)[O-])C=C1	REAL300018592686	1	58	0.0	-56.98	436.85	11.45	-45.53
CCOC1=CC=C(C([NH2+]CC2=CC=C(C(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592687	0	43	0.0	-36.43	360.91	10.09	-26.34
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2CCC3)C(=O)[O-])C=C1	REAL300018592689	0	47	0.0	-30.04	369.65	10.95	-19.09
CCOC1=CC=C(C([NH2+]CC2=C(C)N(C)N=C2)C(=O)[O-])C=C1	REAL300018592693	0	43	0.0	-31.67	344.13	7.36	-24.31
CCOC1=CC=C(C([NH2+]CC2=CC=C(N(CC)CC)C(F)=C2)C(=O)[O-])C=C1	REAL300018592694	0	54	0.0	-36.05	425.89	10.30	-25.75
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=C(OC)C=C2SC)C(=O)[O-])C=C1	REAL300018592695	0	52	0.0	-32.99	416.93	9.18	-23.81
CCOC1=CC=C(C([NH2+]C2CCN(C3=CC=C(N(C)C)C=C3)CC2)C(=O)[O-])C=C1	REAL300018592696	0	60	0.0	-34.11	443.65	9.78	-24.33
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=CC=C2[N+](=O)[O-])C(=O)[O-])C=C1	REAL300018592697	0	51	0.0	-31.07	402.34	11.69	-19.38
CCOC1=CC=C(C([NH2+]C2CC3CCC(C3)C2)C(=O)[O-])C=C1	REAL300018592698	0	47	0.0	-28.34	329.27	10.02	-18.32
CCOC1=CC=C(C([NH2+]C2CC(C)CC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018592699	0	56	0.0	-29.00	402.30	12.50	-16.50
CCOC1=CC=C(C([NH2+]C2CC(C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300018592701	0	49	0.0	-31.81	365.76	9.59	-22.22
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=CC=C3C(OC)=C2)C(=O)[O-])C=C1	REAL300018592703	0	50	0.0	-34.17	399.90	10.73	-23.44
CCOC1=CC=C(C([NH2+]CC2=CN=CC(OCC)=C2)C(=O)[O-])C=C1	REAL300018592704	0	46	0.0	-33.82	373.03	7.56	-26.26
CCOC1=CC=C(C([NH2+]CC2=CC(F)=CC(OCC)=C2)C(=O)[O-])C=C1	REAL300018592705	0	47	0.0	-33.45	384.52	9.45	-24.00
CCOC1=CC=C(C([NH2+]CC(C)C2=CC=C(OC)C=C2)C(=O)[O-])C=C1	REAL300018592706	0	50	0.0	-36.61	392.24	9.73	-26.88
CCOC1=CC=C(C(NC2CC[N@@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300018592708	1	49	0.0	-52.40	364.70	8.43	-43.97
CCOC1=CC=C(C(NC2CC[N@H+]3CCCC3C2)C(=O)[O-])C=C1	REAL300018592708	1	49	0.0	-54.96	369.02	8.56	-46.40
CCOC1=CC=C(C([NH2+]C2CCC3(CCCCC3)CC2)C(=O)[O-])C=C1	REAL300018592709	0	56	0.0	-32.65	394.08	11.01	-21.64
CCOC1=CC=C(C([NH2+]C(C)C(C)C2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018592710	0	49	0.0	-32.37	372.67	10.72	-21.65
CCOC1=CC=C(C([NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)C(=O)[O-])C=C1	REAL300018592711	0	48	0.0	-34.90	379.71	10.18	-24.72
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C(OC)C=CC=C23)C(=O)[O-])C=C1	REAL300018592712	0	50	0.0	-32.59	390.71	10.51	-22.08
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=CN=C2)C(=O)[O-])C=C1	REAL300018592714	0	48	0.0	-37.03	374.11	9.41	-27.62
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C(C)C)=C2)C(=O)[O-])C=C1	REAL300018592715	0	49	0.0	-31.44	386.97	11.08	-20.36
CCOC1=CC=C(C([NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)C(=O)[O-])C=C1	REAL300018592717	0	51	0.0	-35.84	404.05	12.15	-23.69
CCOC1=CC=C(C([NH2+]C2CCC3(CCOCC3)CC2)C(=O)[O-])C=C1	REAL300018592718	0	54	0.0	-34.16	384.85	8.64	-25.52
CCOC1=CC=C(C([NH2+]CC2=CN=CC(OC)=C2C)C(=O)[O-])C=C1	REAL300018592719	0	46	0.0	-32.47	362.14	7.23	-25.24
CCOC1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2Cl)C(=O)[O-])C=C1	REAL300018592721	0	43	0.0	-34.46	368.42	10.41	-24.05
CCOC1=CC=C(C([NH2+]CC2=CC=C(C(F)(F)F)S2)C(=O)[O-])C=C1	REAL300018592723	0	40	0.0	-35.83	357.60	9.47	-26.36
CCOC1=CC=C(C([NH2+]CC2=CC3=C(C)C=CC=C3N2)C(=O)[O-])C=C1	REAL300018592724	0	47	0.0	-33.44	378.25	9.72	-23.72
CCOC1=CC=C(C([NH2+]C2CCC(OCC)CC2)C(=O)[O-])C=C1	REAL300018592725	0	50	0.0	-35.58	378.52	8.45	-27.13
CCOC1=CC=C(C([NH2+]CC2=CSC(C(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592726	0	40	0.0	-32.82	357.35	9.31	-23.51
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C(C)=C1	REAL300018592727	0	53	0.0	-31.24	411.07	10.69	-20.55
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OC3CC3)=C2)C(=O)[O-])C=C1	REAL300018592729	0	52	0.0	-35.66	416.53	10.03	-25.63
CCOC1=CC=C(C([NH2+]C2CCC3(CCCC3)CC2)C(=O)[O-])C=C1	REAL300018592730	0	53	0.0	-32.61	383.28	10.65	-21.96
CCOC1=CC=C(C([NH2+]CC2=CC=C(C(F)F)N=C2)C(=O)[O-])C=C1	REAL300018592731	0	42	0.0	-35.20	354.84	8.20	-27.00
CCOC1=CC=C(C([NH2+]C2CCC3=CC=CC=C3CC2)C(=O)[O-])C=C1	REAL300018592732	0	50	0.0	-31.60	377.09	11.12	-20.48
CCOC1=CC=C(C([NH2+]C2CCC(C)(CC)CC2)C(=O)[O-])C=C1	REAL300018592734	0	52	0.0	-32.36	373.72	9.87	-22.49
CCOC1=CC=C(C([NH2+]C2CCCC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300018592735	0	50	0.0	-36.57	378.16	11.16	-25.41
CCOC1=CC=C(C([NH2+]CC2=CN(C)N=C2C(F)F)C(=O)[O-])C=C1	REAL300018592736	0	43	0.0	-37.38	357.55	7.81	-29.57
CCOC1=CC=C(C([NH2+]C(C)C2CCCCCC2)C(=O)[O-])C=C1	REAL300018592737	0	52	0.0	-30.06	367.36	10.20	-19.86
CCOC1=CC=C(C([NH2+]C2CCC(CC)(CC)CC2)C(=O)[O-])C=C1	REAL300018592739	0	55	0.0	-32.08	387.51	10.38	-21.70
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2CCOC3)C(=O)[O-])C=C1	REAL300018592740	0	48	0.0	-30.17	369.71	9.02	-21.15
CCOC1=CC=C(C([NH2+]CC2CC2C2=CC=C(F)C=C2)C(=O)[O-])C=C1	REAL300018592741	0	47	0.0	-38.16	376.93	11.08	-27.08
CCOC1=CC=C(C([NH2+]C(C)CC2=COC3=CC=CC=C23)C(=O)[O-])C=C1	REAL300018592742	0	49	0.0	-32.81	388.05	10.82	-21.99
CCOC1=CC=C(C([NH2+]CC2=CC=CC(S(N)(=O)=O)=C2)C(=O)[O-])C=C1	REAL300018592743	0	45	0.0	-37.58	379.05	4.05	-33.53
CCOC1=CC=C(C([NH2+]CC2=CC3=CC=C(C)C=C3N2)C(=O)[O-])C=C1	REAL300018592745	0	47	0.0	-33.41	378.69	9.73	-23.68
CCOC1=CC=C(C([NH2+]CC2=C3CCCN3N=C2)C(=O)[O-])C=C1	REAL300018592746	0	44	0.0	-36.59	353.21	7.77	-28.82
CCOC1=CC=C(C([NH2+]C2CCCCC(C3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018592749	0	56	0.0	-34.00	414.96	12.41	-21.59
CCOC1=CC=C(C([NH2+]C2CCC(C(C)C)C2)C(=O)[O-])C=C1	REAL300018592750	0	49	0.0	-31.87	368.37	9.93	-21.94
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC(C)=CC(C)=C3)C=C2)C(=O)[O-])C=C1	REAL300018592752	0	56	0.0	-33.61	443.76	13.90	-19.71
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3C=NC=N3)C(C)=C2)C(=O)[O-])C=C1	REAL300018592753	0	49	0.0	-37.03	394.35	12.57	-24.46
CCOC1=CC=C(C([NH2+]C2CCCC(C)CC2)C(=O)[O-])C=C1	REAL300018592754	0	49	0.0	-31.84	355.45	9.47	-22.37
CCOC1=CC=C(C([NH2+]C2CCCC(CC)CC2)C(=O)[O-])C=C1	REAL300018592755	0	52	0.0	-33.17	374.67	10.20	-22.97
CCOC1=CC=C(C([NH2+]C2CCCC(C)(C)CC2)C(=O)[O-])C=C1	REAL300018592756	0	52	0.0	-32.18	365.06	9.69	-22.49
CCOC1=CC=C(C([NH2+]C2CCCC(C(C)(C)C)CC2)C(=O)[O-])C=C1	REAL300018592757	0	58	0.0	-33.30	404.38	10.92	-22.38
CCOC1=CC=C(C([NH2+]C2CCN(C)C(C)C2)C(=O)[O-])C=C1	REAL300018592758	0	48	0.0	-31.82	357.98	6.54	-25.28
CCOC1=CC=C(C(NC2CC[N@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300018592758	1	48	0.0	-52.96	351.81	7.46	-45.50
CCOC1=CC=C(C(NC2CC[N@@H+](C)C(C)C2)C(=O)[O-])C=C1	REAL300018592758	1	48	0.0	-52.95	351.70	7.45	-45.50
CCOC1=CC=C(C([NH2+]CC2=CC=C(OCC(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592760	0	47	0.0	-38.95	391.11	9.70	-29.25
CCOC1=CC=C(C([NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)C(=O)[O-])C=C1	REAL300018592761	0	47	0.0	-34.43	389.33	7.42	-27.01
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C=C2Br)C(=O)[O-])C=C1	REAL300018592762	0	44	0.0	-32.52	367.35	8.85	-23.67
CCOC1=CC=C(C([NH2+]CC2=CC=CC(COC)=C2)C(=O)[O-])C=C1	REAL300018592763	0	47	0.0	-33.76	380.49	8.85	-24.91
CCOC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2C)C(=O)[O-])C=C1	REAL300018592764	0	50	0.0	-36.00	421.92	11.47	-24.53
CCOC1=CC=C(C([NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300018592766	0	51	0.0	-34.45	427.34	13.27	-21.18
CCOC1=CC=C(C([NH2+]C(CC)CC2=CC=C(OC)C(OC)=C2)C(=O)[O-])C=C1	REAL300018592767	0	57	0.0	-32.85	418.65	9.68	-23.17
CCOC1=CC=C(C([NH2+]CCC2=CC=C(C)C=C2)C(=O)[O-])C=C1	REAL300018592768	0	46	0.0	-35.46	367.72	10.56	-24.90
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300018592769	0	51	0.0	-32.97	396.89	8.85	-24.12
CCOC1=CC=C(C([NH2+]CC2=CC=CC=C2C2CC2)C(=O)[O-])C=C1	REAL300018592770	0	47	0.0	-29.51	364.27	10.98	-18.53
CCOC1=CC=C(C([NH2+]CC2=CC(Br)=C(C)S2)C(=O)[O-])C=C1	REAL300018592771	1	40	0.0	-30.73	357.39	9.60	-21.13
CCOC1=CC=C(C([NH2+]CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300018592772	0	43	0.0	-35.06	360.11	10.03	-25.03
CCOC1=CC=C(C([NH2+]CCC2=CC(C)=CC(C)=C2)C(=O)[O-])C=C1	REAL300018592773	0	49	0.0	-35.95	391.07	11.26	-24.69
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=C(OC)C(OC)=C2C)C(=O)[O-])C=C1	REAL300018592774	0	57	0.0	-37.48	433.14	9.96	-27.52
CCOC1=CC=C(C([NH2+]CC2=CN(C3=CC=C(OC)C=C3)N=C2)C(=O)[O-])C=C1	REAL300018592775	0	51	0.0	-38.60	413.74	9.64	-28.96
CCOC1=CC=C(C([NH2+]C(C)CCC2=CSC=C2)C(=O)[O-])C=C1	REAL300018592776	0	46	0.0	-33.20	373.55	10.21	-22.99
CCOC1=CC=C(C([NH2+]C(C)COC2=CC=C(CCOC)C=C2)C(=O)[O-])C=C1	REAL300018592777	0	57	0.0	-30.32	447.13	9.91	-20.41
CCOC1=CC=C(C([NH2+]CC2=CN(C3=CC=CC=C3Cl)N=C2C)C(=O)[O-])C=C1	REAL300018592778	0	50	0.0	-37.73	417.29	11.64	-26.09
CCOC1=CC=C(C([NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)C(=O)[O-])C=C1	REAL300018592779	0	53	0.0	-32.50	413.05	12.70	-19.80
CCOC1=CC=C(C([NH2+]CC2=CC(C3=CC=CC=N3)=NN2)C(=O)[O-])C=C1	REAL300018592780	0	46	0.0	-37.95	382.93	7.39	-30.56
CCOC1=CC=C(C([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])C=C1	REAL300018592781	0	46	0.0	-40.79	363.42	8.16	-32.63
CCOC1=CC=C(C([NH2+]CC2=CN=C3C(=C2)C=NN3C)C(=O)[O-])C=C1	REAL300018592782	0	45	0.0	-39.62	369.73	8.26	-31.36
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=C(F)C=C2F)C(=O)[O-])C=C1	REAL300018592783	0	49	0.0	-34.70	395.49	11.39	-23.31
CCOC1=CC=C(C([NH2+]C(CC)CC2=CC=C(C(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592784	0	52	0.0	-38.20	411.73	11.79	-26.41
CCOC1=CC=C(C([NH2+]C(COC)CC2CCOCC2)C(=O)[O-])C=C1	REAL300018592785	0	54	0.0	-28.64	403.45	7.46	-21.18
CCOC1=CC=C(C([NH2+]CCCC2=CN(C)N=C2)C(=O)[O-])C=C1	REAL300018592786	0	46	0.0	-37.30	372.57	8.50	-28.80
CCOC1=CC=C(C([NH2+]CC2=CN=C(N3CCN(C)CC3)N=C2)C(=O)[O-])C=C1	REAL300018592787	0	55	0.0	-35.55	428.18	7.39	-28.16
CCOC1=CC=C(C([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C(=O)[O-])C=C1	REAL300018592788	0	51	0.0	-35.19	414.37	12.60	-22.59
CCOC1=CC=C(C([NH2+]CC2=CC=C(F)N=C2)C(=O)[O-])C=C1	REAL300018592792	0	39	0.0	-35.69	328.00	7.31	-28.38
CCOC1=CC=C(C([NH2+]C2CCC3COCCC3C2)C(=O)[O-])C=C1	REAL300018592793	0	51	0.0	-30.91	371.79	8.68	-22.23
CCOC1=CC=C(C([NH2+]C2CC3(C2)COC(C)(C)C3)C(=O)[O-])C=C1	REAL300018592794	0	51	0.0	-37.53	385.81	8.52	-29.01
CCOC1=CC=C(C([NH2+]C2CC3(C2)COC(C)C3)C(=O)[O-])C=C1	REAL300018592795	0	48	0.0	-36.98	362.91	7.76	-29.22
CCOC1=CC=C(C([NH2+]C2CCOC3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300018592796	0	48	0.0	-34.38	371.04	9.40	-24.98
CCOC1=CC=C(C([NH2+]C2CCCC3=C(C=CS3)C2)C(=O)[O-])C=C1	REAL300018592797	0	47	0.0	-36.71	369.67	10.32	-26.39
CCOC1=CC=C(C([NH2+]CC2=C3C(=CC=C2)N=CN3C)C(=O)[O-])C=C1	REAL300018592798	0	46	0.0	-33.84	363.21	10.35	-23.49
CCOC1=CC=C(C([NH2+]CC2=CC(OC)=CC=C2C)C(=O)[O-])C=C1	REAL300018592799	0	47	0.0	-29.68	367.72	8.97	-20.71
CCOC1=CC=C(C([NH2+]CC2=CC=CC=C2CC)C(=O)[O-])C=C1	REAL300018592802	0	46	0.0	-28.82	355.36	10.28	-18.54
CCOC1=CC=C(C([NH2+]CC2=CC(C)=CC(F)=C2)C(=O)[O-])C=C1	REAL300018592803	0	43	0.0	-34.70	354.56	9.89	-24.81
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C(C)=C2C)C(=O)[O-])C=C1	REAL300018592804	0	49	0.0	-29.08	371.29	10.73	-18.35
CCOC1=CC=C(C([NH2+]CC2=CC3=CC(OC)=CC=C3S2)C(=O)[O-])C=C1	REAL300018592806	1	47	0.0	-34.31	392.36	9.95	-24.36
CCOC1=CC=C(C([NH2+]CC2=CC=C3C(=C2)CCN3CC)C(=O)[O-])C=C1	REAL300018592808	0	52	0.0	-32.20	404.73	9.75	-22.45
CCOC1=CC=C(C([NH2+]C2CCC3(COC(C)(C)C3)CC2)C(=O)[O-])C=C1	REAL300018592809	0	57	0.0	-33.72	412.71	9.44	-24.28
CCOC1=CC=C(C([NH2+]CC2=CC=C(SC)C(Cl)=C2)C(=O)[O-])C=C1	REAL300018592810	0	44	0.0	-36.58	381.97	10.62	-25.96
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3CC3)C(C)=C2)C(=O)[O-])C=C1	REAL300018592811	0	50	0.0	-31.40	393.77	11.77	-19.63
CCOC1=CC=C(C([NH2+]C2CCCC3=C(C=CC=C3OC)C2)C(=O)[O-])C=C1	REAL300018592812	0	54	0.0	-37.52	405.99	10.53	-26.99
CCOC1=CC=C(C([NH2+]CC2=CC=NC(OCC)=C2)C(=O)[O-])C=C1	REAL300018592813	0	46	0.0	-32.86	374.37	6.76	-26.10
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C(C3CC3)=C2)C(=O)[O-])C=C1	REAL300018592814	0	50	0.0	-31.67	393.17	11.79	-19.88
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3C=CC(C)=N3)C=C2C)C(=O)[O-])C=C1	REAL300018592815	0	53	0.0	-37.14	418.16	11.37	-25.77
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3C=C(Cl)C=N3)C=C2C)C(=O)[O-])C=C1	REAL300018592816	0	50	0.0	-36.09	413.75	11.36	-24.73
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3C=C(Cl)C(C)=N3)C=C2)C(=O)[O-])C=C1	REAL300018592817	0	50	0.0	-38.27	422.35	11.42	-26.85
CCOC1=CC=C(C([NH2+]C2CC(C3CCC3)C2)C(=O)[O-])C=C1	REAL300018592818	0	47	0.0	-32.81	363.60	10.15	-22.66
CCOC1=CC=C(C([NH2+]CC2=CC=C3OC(C)C(C)C3=C2)C(=O)[O-])C=C1	REAL300018592821	0	51	0.0	-33.83	400.13	10.27	-23.56
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C(OC(F)F)=C2)C(=O)[O-])C=C1	REAL300018592822	0	47	0.0	-31.07	384.75	9.45	-21.62
CCOC1=CC=C(C([NH2+]CC2=CC(C(C)C)=CC=C2O)C(=O)[O-])C=C1	REAL300018592823	0	50	0.0	-33.65	394.63	8.46	-25.19
CCOC1=CC=C(C([NH2+]CC2=C(C)C(C(F)(F)F)=NN2)C(=O)[O-])C=C1	REAL300018592824	0	43	0.0	-34.86	362.27	7.06	-27.80
CCOC1=CC=C(C([NH2+]C2CCC3(CCC3)CC2)C(=O)[O-])C=C1	REAL300018592825	0	50	0.0	-32.20	368.06	10.12	-22.08
CCOC1=CC=C(C([NH2+]CC2=CC=C(C)C(O)=C2)C(=O)[O-])C=C1	REAL300018592826	0	44	0.0	-31.78	356.52	7.03	-24.75
CCOC1=CC=C(C([NH2+]CC2=CC=C3CCOC3=C2)C(=O)[O-])C=C1	REAL300018592829	0	45	0.0	-35.55	361.28	8.97	-26.58
CCOC1=CC=C(C([NH2+]CC2=CC=C3COCCC3=C2)C(=O)[O-])C=C1	REAL300018592831	0	48	0.0	-32.33	378.52	9.18	-23.15
CCOC1=CC=C(C([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C(=O)[O-])C=C1	REAL300018592832	0	48	0.0	-37.04	391.02	9.00	-28.04
CCOC1=CC=C(C([NH2+]C2CC(COCC3=CC=CC=C3)C2)C(=O)[O-])C=C1	REAL300018592833	0	54	0.0	-34.07	429.97	11.12	-22.95
CCOC1=CC=C(C([NH2+]CC2=CC=CC(SC)=C2)C(=O)[O-])C=C1	REAL300018592834	0	44	0.0	-31.02	366.95	10.18	-20.84
CCOC1=CC=C(C([NH2+]C2CCC3=CC(Cl)=CC=C3C2)C(=O)[O-])C=C1	REAL300018592835	0	47	0.0	-36.04	380.31	11.19	-24.85
CCOC1=CC=C(C([NH2+]C2CC3C(C2)C3(C)C)C(=O)[O-])C=C1	REAL300018592836	0	47	0.0	-29.27	350.95	9.65	-19.62
CCOC1=CC=C(C([NH2+]CC2=CC=C(CC3CC3)S2)C(=O)[O-])C=C1	REAL300018592838	1	47	0.0	-29.04	390.63	11.38	-17.66
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC3CC3)C=C2)C(=O)[O-])C=C1	REAL300018592839	0	48	0.0	-33.25	387.28	10.14	-23.11
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C(=O)[O-])C=C1	REAL300018592840	0	44	0.0	-35.37	378.31	8.97	-26.40
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3C=CN=C3C)C=C2C)C(=O)[O-])C=C1	REAL300018592841	0	53	0.0	-36.18	417.69	12.06	-24.12
CCOC1=CC=C(C([NH2+]CC2=CC=C(N3C=NC(C)=C3C)C=C2)C(=O)[O-])C=C1	REAL300018592842	0	53	0.0	-38.36	426.27	12.86	-25.50
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C(=O)[O-])C=C1	REAL300018592843	0	54	0.0	-31.05	421.70	13.18	-17.87
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=C(Cl)C=C2F)C(=O)[O-])C=C1	REAL300018592846	0	46	0.0	-39.40	382.86	10.98	-28.42
CCOC1=CC=C(C([NH2+]CC2=CN=CC(C(C)(C)C)=C2)C(=O)[O-])C=C1	REAL300018592850	0	51	0.0	-33.54	396.82	9.62	-23.92
CCOC1=CC=C(C([NH2+]CC2=NN(CC(F)(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592851	1	43	0.0	-40.08	367.09	8.17	-31.91
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C(F)F)=C2F)C(=O)[O-])C=C1	REAL300018592856	0	43	0.0	-31.44	365.32	10.09	-21.35
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=C2COCC3)C(=O)[O-])C=C1	REAL300018592857	0	48	0.0	-31.52	373.46	9.16	-22.36
CCOC1=CC=C(C([NH2+]CC2=CC(Cl)=CC=C2OCC)C(=O)[O-])C=C1	REAL300018592858	0	47	0.0	-29.34	393.46	9.95	-19.39
CCOC1=CC=C(C([NH2+]CC2=CN(C3CCCCC3)N=C2)C(=O)[O-])C=C1	REAL300018592861	0	53	0.0	-32.24	411.41	10.21	-22.03
CCOC1=CC=C(C([NH2+]C2CC3CCCCC3C2)C(=O)[O-])C=C1	REAL300018592862	0	50	0.0	-30.19	371.01	10.38	-19.81
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C(C)(C)C)=C2OC)C(=O)[O-])C=C1	REAL300018592863	0	56	0.0	-29.89	420.21	10.89	-19.00
CCOC1=CC=C(C([NH2+]CC2=CN=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300018592865	0	46	0.0	-32.13	365.90	6.38	-25.75
CCOC1=CC=C(C([NH2+]C2CC(C3=CC=CC(OC)=C3)C2)C(=O)[O-])C=C1	REAL300018592867	0	51	0.0	-36.58	400.23	10.22	-26.36
CCOC1=CC=C(C([NH2+]C2CC(C3=NC(C)=NO3)C2)C(=O)[O-])C=C1	REAL300018592868	0	45	0.0	-39.13	361.15	6.48	-32.65
CCOC1=CC=C(C([NH2+]C2CC(C3CCOCC3)C2)C(=O)[O-])C=C1	REAL300018592869	0	51	0.0	-34.96	383.41	8.71	-26.25
CCOC1=CC=C(C([NH2+]CC=CC2=CC=C3OCOC3=C2)C(=O)[O-])C=C1	REAL300018592871	0	47	0.0	-37.37	381.91	9.05	-28.32
CCOC1=CC=C(C([NH2+]CC2=CC=C(CC3CCC3)C=C2)C(=O)[O-])C=C1	REAL300018592872	0	53	0.0	-31.29	417.86	12.68	-18.61
CCOC1=CC=C(C([NH2+]C(C)CC2=CC=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300018592873	0	53	0.0	-37.62	405.66	10.17	-27.45
CCOC1=CC=C(C([NH2+]CC2=C(CC)N(CC)N=C2)C(=O)[O-])C=C1	REAL300018592874	0	49	0.0	-30.08	384.46	9.04	-21.04
CCOC1=CC=C(C([NH2+]CC2=C(C)OC=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300018592875	0	43	0.0	-27.04	366.10	8.93	-18.11
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C(C)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592876	0	46	0.0	-31.53	378.63	10.65	-20.88
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CSC=C3)N=C2)C(=O)[O-])C=C1	REAL300018592877	0	46	0.0	-36.52	388.35	9.90	-26.62
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=C(OC)C=C2C)C(=O)[O-])C=C1	REAL300018592878	0	56	0.0	-34.82	427.10	10.99	-23.83
CCOC1=CC=C(C([NH2+]C2CC3CCCCCC3C2)C(=O)[O-])C=C1	REAL300018592879	0	53	0.0	-31.39	378.47	10.71	-20.68
CCOC1=CC=C(C([NH2+]C2CCC(C)C3=CC=CC=C3C2)C(=O)[O-])C=C1	REAL300018592880	0	53	0.0	-36.42	388.27	11.41	-25.01
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CSC=C3)C=C2)C(=O)[O-])C=C1	REAL300018592881	0	47	0.0	-33.28	392.31	11.58	-21.70
CCOC1=CC=C(C([NH2+]C(C)CCC2=CC=C(O)C(OCC)=C2)C(=O)[O-])C=C1	REAL300018592882	0	57	0.0	-37.35	445.69	9.32	-28.03
CCOC1=CC=C(C([NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)C(=O)[O-])C=C1	REAL300018592883	0	46	0.0	-32.91	381.02	11.72	-21.19
CCOC1=CC=C(C([NH2+]CC2=CC=CC(SC(F)(F)F)=C2)C(=O)[O-])C=C1	REAL300018592884	0	44	0.0	-32.72	383.14	10.61	-22.11
CCOC1=CC=C(C([NH2+]CC2=CC=C3CCOCC3=C2)C(=O)[O-])C=C1	REAL300018592885	0	48	0.0	-32.78	378.52	9.18	-23.60
CCOC1=CC=C(C([NH2+]CC2=C(C)C3=CC=C(F)C=C3S2)C(=O)[O-])C=C1	REAL300018592886	0	46	0.0	-34.73	387.28	11.30	-23.43
CCOC1=CC=C(C([NH2+]CC2=CC(C3=CC=NC=C3)=NN2)C(=O)[O-])C=C1	REAL300018592887	0	46	0.0	-36.77	379.43	7.27	-29.50
CCOC1=CC=C(C([NH2+]CC=CC2=CC=NC=C2)C(=O)[O-])C=C1	REAL300018592888	0	43	0.0	-37.67	352.80	8.68	-28.99
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC)C(OCCO)=C2)C(=O)[O-])C=C1	REAL300018592890	0	52	0.0	-38.55	418.72	6.19	-32.36
CCOC1=CC=C(C([NH2+]CC2=CC3=CN=CC=C3C=C2)C(=O)[O-])C=C1	REAL300018592891	0	45	0.0	-35.64	366.42	9.60	-26.04
CCOC1=CC=C(C([NH2+]CC2=C3OC(C)=CC3=CC=C2)C(=O)[O-])C=C1	REAL300018592892	0	46	0.0	-28.61	374.64	10.28	-18.33
CCOC1=CC=C(C([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C(=O)[O-])C=C1	REAL300018592893	0	43	0.0	-36.98	369.73	10.17	-26.81
CCOC1=CC=C(C([NH2+]CC2=CC=C(OC(C)C)C(F)=C2)C(=O)[O-])C=C1	REAL300018592894	0	50	0.0	-38.27	402.25	10.09	-28.18
CCOC1=CC=C(C([NH2+]CC2=CC=NN2CC(F)F)C(=O)[O-])C=C1	REAL300018592896	0	43	0.0	-34.70	359.32	7.81	-26.89
CCOC1=CC=C(C([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C(=O)[O-])C=C1	REAL300018592898	0	47	0.0	-35.42	391.98	10.44	-24.98
CCOC1=CC=C(C([NH2+]CC2=NN(C3CC3(F)F)C=C2)C(=O)[O-])C=C1	REAL300018592901	1	44	0.0	-32.71	371.36	8.58	-24.13
CCOC1=CC=C(C([NH2+]C2CC3CCCC(C3)C2)C(=O)[O-])C=C1	REAL300018592903	0	50	0.0	-33.07	359.65	9.91	-23.16
CCOC1=CC=C(C([NH2+]CC2=C3OC=CC3=C(F)C=C2)C(=O)[O-])C=C1	REAL300018592905	0	43	0.0	-30.79	358.57	9.50	-21.29
CCOC1=CC=C(C([NH2+]CC2=C3OC=CC3=CC(Cl)=C2)C(=O)[O-])C=C1	REAL300018592906	0	43	0.0	-30.66	370.80	9.99	-20.67
CCOC1=CC=C(C([NH2+]C2CCN(CC3=CC=CC(OC)=C3)CC2)C(=O)[O-])C=C1	REAL300018592907	0	59	0.0	-33.01	446.74	8.81	-24.20
CCOC1=CC=C(C([NH2+]CC=CC2=CC=CC=C2)C(=O)[O-])C=C1	REAL300018592908	0	44	0.0	-33.25	357.79	10.45	-22.80
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3CCCCC3)C=C2)C(=O)[O-])C=C1	REAL300018592911	0	56	0.0	-31.31	428.60	12.97	-18.34
CCOC1=CC=C(C([NH2+]CC2=CN(C3CCC3)N=C2C)C(=O)[O-])C=C1	REAL300018592912	0	50	0.0	-34.25	394.46	9.52	-24.73
CCOC1=CC=C(C([NH2+]CC=CC2=CC=CC=C2OC)C(=O)[O-])C=C1	REAL300018592913	0	48	0.0	-33.49	386.15	9.81	-23.68
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C(=O)[O-])C=C1	REAL300018592914	0	48	0.0	-36.62	394.61	9.46	-27.16
CCOC1=CC=C(C([NH2+]C2CCCN(C(C)(C)C)C2)C(=O)[O-])C=C1	REAL300018592916	0	54	0.0	-32.81	388.99	7.61	-25.20
CCOC1=CC=C(C([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C(=O)[O-])C=C1	REAL300018592917	0	53	0.0	-32.85	428.22	13.59	-19.26
CCOC1=CC=C(C([NH2+]C2CCC(C3=CC=C(C)C=C3)CC2)C(=O)[O-])C=C1	REAL300018592919	0	56	0.0	-30.64	417.73	12.89	-17.75
CCOC1=CC=C(C([NH2+]CC2=CC=C(CF)C=C2)C(=O)[O-])C=C1	REAL300018592920	0	43	0.0	-33.48	353.40	9.94	-23.54
CCOC1=CC=C(C([NH2+]CC2=CC=C3SC=CC3=C2)C(=O)[O-])C=C1	REAL300018592921	0	43	0.0	-33.73	363.67	10.52	-23.21
CCOC1=CC=C(C([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C(=O)[O-])C=C1	REAL300018592922	0	49	0.0	-35.59	394.84	10.79	-24.80
CCOC1=CC=C(C([NH2+]C(C)CC2=CN(C)N=C2)C(=O)[O-])C=C1	REAL300018592923	0	46	0.0	-40.79	363.42	8.16	-32.63
CCOC1=CC=C(C([NH2+]C2CC3CC=CCC3C2)C(=O)[O-])C=C1	REAL300018592924	0	48	0.0	-31.97	360.75	10.21	-21.76
CCOC1=CC=C(C([NH2+]CC2=CC=CC(C)=C2C(F)(F)F)C(=O)[O-])C=C1	REAL300018592925	0	46	0.0	-36.18	371.62	10.79	-25.39
C=CCN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(OCC)C=C2)C=N1	REAL300018592926	0	44	0.0	-36.24	361.96	8.31	-27.93
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CCOC1=CC=C(C([NH2+]CC2=CC=C3NC=CC3=C2OC)C(=O)[O-])C=C1	REAL300018592936	0	48	0.0	-29.05	386.37	8.60	-20.45
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CCCC(CCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592960	0	55	0.0	-30.75	393.06	13.57	-17.18
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CC(CCC1=CC=C2OCOC2=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592962	0	52	0.0	-43.45	393.77	11.15	-32.30
CC(CCC1=CC=C(O)C=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592963	0	50	0.0	-30.22	380.43	9.76	-20.46
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1OC	REAL300018592964	0	54	0.0	-47.02	403.69	10.92	-36.10
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592965	0	53	0.0	-32.58	406.02	12.18	-20.40
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018592966	0	53	0.0	-32.64	394.22	11.89	-20.75
CC(CCC1=CC=CO1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592967	0	46	0.0	-31.17	345.04	10.67	-20.50
CC(CC1=CC=C(F)C=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592968	0	46	0.0	-42.68	354.84	11.76	-30.92
CC(CCN1C=CC=N1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592969	0	46	0.0	-35.50	343.31	9.71	-25.79
CC(CC1=CC=C(Cl)C=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592970	0	46	0.0	-41.79	366.04	12.28	-29.51
CC(CCC1=CC=C(F)C=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592971	0	49	0.0	-32.04	373.17	12.67	-19.37
CC=CCOC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018592972	0	60	0.0	-29.74	455.38	14.28	-15.46
CC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592973	0	50	0.0	-37.02	357.19	9.39	-27.63
CC(CCC1CCCCC1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592974	0	55	0.0	-36.01	390.99	12.66	-23.35
CC(CCC1=CC=CC=C1F)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592975	0	49	0.0	-33.62	373.27	12.52	-21.10
CC(CC1CCCC1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592976	0	49	0.0	-29.10	354.43	11.31	-17.79
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592977	0	49	0.0	-43.07	387.16	12.69	-30.38
CC(C)C1=CC=C(CC[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018592978	0	52	0.0	-30.17	394.27	13.20	-16.97
CC(CC1CCOC1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592979	0	47	0.0	-34.10	333.24	9.01	-25.09
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CC1CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CN(CC2=CC=CC=C2)C1	REAL300018592981	0	58	0.0	-30.54	421.43	11.86	-18.68
CC1=CN2C=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)N=C2C=C1	REAL300018592982	0	46	0.0	-33.49	358.77	12.11	-21.38
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CC(CCC(C)(C)C)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592984	0	51	0.0	-35.93	365.53	11.15	-24.78
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CC(C)N1C=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)N=N1	REAL300018592989	0	45	0.0	-35.14	347.46	8.83	-26.31
CN(C)CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=NO1	REAL300018592990	0	47	0.0	-23.66	364.72	7.46	-16.20
CC1=CC=CC=C1N1C=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)N=N1	REAL300018592991	0	49	0.0	-26.59	389.23	11.30	-15.29
CCOC1CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C1SC	REAL300018592992	0	48	0.0	-24.75	365.72	10.78	-13.97
COCCOCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018592993	0	54	0.0	-30.01	425.03	10.65	-19.36
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COC1=CC=C(F)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018592996	0	44	0.0	-35.51	344.78	9.82	-25.69
CC1(C2=CC=CC=C2)CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300018592997	0	50	0.0	-27.91	375.66	12.79	-15.12
O=C([O-])C([NH2+]CC1=CN(CC(F)F)N=C1)C1CCC2=CC=CC=C21	REAL300018592998	0	43	0.0	-34.65	348.73	9.49	-25.16
O=C([O-])C([NH2+]CC1=CC=C(C2CCC2)C=C1)C1CCC2=CC=CC=C21	REAL300018592999	0	50	0.0	-27.05	381.00	13.30	-13.75
CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=CS1	REAL300018593000	0	40	0.0	-24.94	319.64	10.35	-14.59
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1F	REAL300018593511	0	43	0.0	-30.69	341.78	11.27	-19.42
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593513	0	49	0.0	-28.30	363.81	11.64	-16.66
CC1(C)CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC(C)(C)C1	REAL300018593514	0	55	0.0	-27.97	380.53	11.76	-16.21
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593515	0	53	0.0	-32.06	399.03	13.08	-18.98
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C(Cl)=C1OC	REAL300018593516	0	48	0.0	-32.25	388.86	10.34	-21.91
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1CCC2=CC=CC=C21	REAL300018593517	0	47	0.0	-29.53	382.61	13.34	-16.19
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1CCC2=CC=CC=C21	REAL300018593518	0	43	0.0	-38.28	352.03	11.98	-26.30
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593519	0	50	0.0	-29.05	384.88	11.60	-17.45
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593520	0	62	0.0	-28.85	474.09	14.86	-13.99
CC(C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21)CC1=CC=C(C(C)(C)C)C=C1	REAL300018593521	0	61	0.0	-28.31	448.14	14.94	-13.37
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1F	REAL300018593522	0	43	0.0	-28.90	341.78	11.26	-17.64
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1CCC2=CC=CC=C21	REAL300018593523	0	44	0.0	-24.63	343.32	10.50	-14.13
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1CCC2=CC=CC=C21	REAL300018593524	0	39	0.0	-31.67	335.21	10.38	-21.29
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300018593525	0	49	0.0	-24.71	348.03	11.33	-13.38
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593526	0	52	0.0	-35.44	392.04	13.06	-22.38
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)=C2)C=C1	REAL300018593527	0	53	0.0	-26.45	408.16	14.57	-11.88
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC(C)=C1	REAL300018593528	0	46	0.0	-25.38	355.36	11.81	-13.57
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593529	0	44	0.0	-22.90	357.47	10.36	-12.54
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1[N+](=O)[O-]	REAL300018593530	0	46	0.0	-33.72	370.58	11.30	-22.42
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1CCC2=CC=CC=C21	REAL300018593531	0	40	0.0	-27.95	347.96	11.70	-16.25
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593532	0	53	0.0	-29.41	411.23	14.66	-14.75
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1CCC2=CC=CC=C21	REAL300018593533	0	44	0.0	-38.03	350.47	9.94	-28.09
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1OCC	REAL300018593534	0	54	0.0	-29.96	417.51	11.60	-18.36
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300018593535	0	52	0.0	-27.64	364.95	12.01	-15.63
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1CCC2=CC=CC=C21	REAL300018593536	0	43	0.0	-29.18	366.96	11.97	-17.21
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O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1CCC2=CC=CC=C21	REAL300018593538	0	43	0.0	-29.01	352.00	9.58	-19.43
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CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593541	0	46	0.0	-35.96	375.19	8.21	-27.75
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593542	0	54	0.0	-28.88	422.70	13.75	-15.13
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593543	0	53	0.0	-27.80	403.43	11.89	-15.91
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CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593651	0	55	0.0	-32.31	394.48	13.26	-19.05
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O=C([O-])C([NH2+]CC1=COC(C2=CC=CC=C2)=N1)C1CCC2=CC=CC=C21	REAL300018593654	1	46	0.0	-43.06	367.49	8.80	-34.26
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CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593656	0	43	0.0	-32.96	330.59	10.74	-22.22
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CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593666	0	49	0.0	-34.01	375.13	12.70	-21.31
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COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1CCC3=CC=CC=C31)OCO2	REAL300018593673	0	47	0.0	-28.97	369.27	8.60	-20.37
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1OC	REAL300018593674	0	48	0.0	-23.91	383.08	10.17	-13.74
COC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)SC=C1	REAL300018593675	0	41	0.0	-27.49	335.28	8.98	-18.51
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593676	0	53	0.0	-28.20	405.51	12.21	-15.99
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1CCC2=CC=CC=C21	REAL300018593677	0	46	0.0	-28.38	357.51	12.77	-15.61
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1CN1C=CC=N1	REAL300018593678	0	54	0.0	-32.59	424.61	11.46	-21.13
O=C([O-])C([NH2+]CCC1CCOCC1)C1CCC2=CC=CC=C21	REAL300018593679	0	47	0.0	-38.74	346.82	8.93	-29.81
O=C([O-])C([NH2+]CC1CCSCC1)C1CCC2=CC=CC=C21	REAL300018593680	0	44	0.0	-38.54	335.22	10.49	-28.05
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CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)=C2O1	REAL300018593682	0	51	0.0	-30.47	391.85	11.65	-18.82
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O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1CCC2=CC=CC=C21	REAL300018593685	0	39	0.0	-23.97	322.42	9.27	-14.70
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1CCC2=CC=CC=C21	REAL300018593686	0	40	0.0	-28.48	342.21	11.37	-17.11
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593687	0	46	0.0	-32.96	353.26	12.30	-20.66
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=N1	REAL300018593688	0	44	0.0	-39.06	346.35	8.96	-30.10
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1CCC2=CC=CC=C21	REAL300018593689	0	47	0.0	-28.34	373.58	11.77	-16.57
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CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593691	0	40	0.0	-37.78	345.21	10.81	-26.97
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CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)SC=N1	REAL300018593695	0	39	0.0	-35.97	317.63	8.13	-27.84
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593696	0	44	0.0	-28.60	350.41	10.06	-18.54
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593697	0	44	0.0	-32.40	329.19	8.65	-23.75
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=N1	REAL300018593698	0	50	0.0	-38.71	385.02	10.33	-28.38
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300018593699	0	56	0.0	-29.09	415.02	10.47	-18.62
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C(Cl)=C1	REAL300018593700	0	43	0.0	-27.25	348.40	11.68	-15.57
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1CCC2=CC=CC=C21	REAL300018593701	0	42	0.0	-32.79	353.07	11.52	-21.27
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CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1OC1=CC=CN=C1	REAL300018593703	0	53	0.0	-31.30	420.36	12.43	-18.87
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)S2)C=C1	REAL300018593704	0	49	0.0	-26.62	398.97	12.19	-14.43
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1CCC2=CC=CC=C21	REAL300018593705	0	45	0.0	-29.12	371.92	11.74	-17.38
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1CCC2=CC=CC=C21	REAL300018593706	0	45	0.0	-31.31	363.89	11.32	-19.99
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593707	0	45	0.0	-42.20	366.70	9.28	-32.92
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1CCC2=CC=CC=C21	REAL300018593708	0	42	0.0	-34.50	355.50	11.81	-22.69
O=C([O-])C([NH2+]CC1=CC=C(C2=C(F)C=CC=C2F)O1)C1CCC2=CC=CC=C21	REAL300018593709	0	47	0.0	-41.97	389.13	12.49	-29.48
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)O1	REAL300018593710	0	50	0.0	-30.33	397.60	13.59	-16.74
CCC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)O2)C=C1	REAL300018593711	0	53	0.0	-40.12	413.97	13.70	-26.42
CCC1CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CCO1	REAL300018593712	0	47	0.0	-27.82	345.82	9.11	-18.71
CC(C)C1CC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CCO1	REAL300018593713	0	50	0.0	-33.24	353.49	9.69	-23.55
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CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593716	0	54	0.0	-28.12	384.67	12.08	-16.04
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593717	0	49	0.0	-39.01	371.81	12.40	-26.61
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1C(C)(C)C	REAL300018593718	0	56	0.0	-28.26	415.73	12.54	-15.72
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)O1	REAL300018593719	0	44	0.0	-26.00	348.87	8.50	-17.50
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593720	0	53	0.0	-25.28	391.23	12.04	-13.24
CC(C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21)C1CCCCC1	REAL300018593721	0	52	0.0	-36.70	369.23	11.82	-24.88
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1	REAL300018593722	0	45	0.0	-35.81	369.47	5.66	-30.15
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1CCC2=CC=CC=C21	REAL300018593723	0	47	0.0	-30.13	363.82	12.46	-17.67
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C(C)=C1	REAL300018593724	0	50	0.0	-26.73	377.97	11.32	-15.41
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593725	0	47	0.0	-28.35	364.95	10.73	-17.62
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593726	0	42	0.0	-32.51	351.75	9.56	-22.95
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1CCC2=CC=CC=C21	REAL300018593727	0	50	0.0	-31.33	376.22	12.81	-18.52
CC1=NC(C)=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)O1	REAL300018593728	0	42	0.0	-29.24	327.53	7.06	-22.18
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593729	0	44	0.0	-35.43	355.77	9.23	-26.20
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300018593730	0	46	0.0	-26.77	365.50	12.41	-14.36
CC(C)N1C=CN=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593731	0	46	0.0	-30.42	351.26	10.76	-19.66
CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=CC=C1[N+](=O)[O-]	REAL300018593732	0	45	0.0	-33.75	346.31	11.48	-22.27
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1Br	REAL300018593733	0	43	0.0	-28.22	354.55	11.75	-16.47
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1Cl	REAL300018593734	0	44	0.0	-28.54	357.93	10.33	-18.21
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CS1	REAL300018593735	0	40	0.0	-26.04	322.12	10.65	-15.39
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1CCC2=CC=CC=C21	REAL300018593736	0	43	0.0	-29.55	339.89	10.81	-18.74
O=C([O-])C([NH2+]CC1=NN(C2=CC=CC=C2)C=C1)C1CCC2=CC=CC=C21	REAL300018593737	0	47	0.0	-41.92	369.73	11.50	-30.42
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1CCC2=CC=CC=C21	REAL300018593738	0	39	0.0	-29.40	341.23	8.98	-20.42
CCC1=NN(C)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593739	0	46	0.0	-28.79	355.78	9.60	-19.19
O=C([O-])C([NH2+]CC1=NN2CCCCC2=C1)C1CCC2=CC=CC=C21	REAL300018593740	0	47	0.0	-39.11	355.44	9.70	-29.41
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593741	0	46	0.0	-27.14	357.95	11.99	-15.15
COC1=NC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)S1	REAL300018593742	0	40	0.0	-27.63	332.68	6.19	-21.44
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1CCC2=CC=CC=C21	REAL300018593743	0	44	0.0	-38.46	347.45	11.96	-26.50
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1CCC2=CC=CC=C21	REAL300018593744	0	45	0.0	-40.21	350.27	7.72	-32.49
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1CCC2=CC=CC=C21	REAL300018593745	0	43	0.0	-36.79	358.20	11.38	-25.41
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)=CN=C12	REAL300018593746	0	46	0.0	-36.30	362.92	11.47	-24.83
CCN1N=CN=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593747	0	42	0.0	-30.73	324.64	9.54	-21.19
CN1C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CN=C1Cl	REAL300018593748	0	40	0.0	-30.40	331.50	9.45	-20.95
CN1C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CN=C1Br	REAL300018593749	0	40	0.0	-30.44	335.80	9.47	-20.97
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)C1CCC2=CC=CC=C21	REAL300018593750	0	46	0.0	-26.01	371.86	10.39	-15.62
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1CCC2=CC=CC=C21	REAL300018593751	0	40	0.0	-31.97	336.47	8.05	-23.92
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1CCC2=CC=CC=C21	REAL300018593752	0	44	0.0	-27.08	350.93	10.51	-16.57
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1CCC2=CC=CC=C21	REAL300018593753	0	44	0.0	-29.92	353.46	10.59	-19.33
CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300018593754	0	46	0.0	-40.78	359.87	7.96	-32.82
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593755	0	43	0.0	-27.18	340.71	11.53	-15.65
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CCC1CCCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300018593839	0	52	0.0	-30.45	362.32	11.67	-18.78
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300018593840	0	52	0.0	-29.07	354.78	11.20	-17.87
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC1	REAL300018593841	0	58	0.0	-37.88	394.98	12.30	-25.58
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CN(C)CC1=NC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CS1	REAL300018593849	0	47	0.0	-39.55	372.05	6.87	-32.68
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CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593867	0	49	0.0	-32.94	379.16	13.16	-19.78
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CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1CCC3=CC=CC=C31)CC2	REAL300018593893	0	57	0.0	-31.13	398.62	10.80	-20.33
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CC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1C1CC1	REAL300018593895	0	50	0.0	-25.93	376.68	13.54	-12.39
COC1=CC=CC2=C1CCCC([NH2+]C(C(=O)[O-])C1CCC3=CC=CC=C31)C2	REAL300018593896	0	54	0.0	-42.95	389.72	11.78	-31.17
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=N1	REAL300018593897	0	46	0.0	-30.43	361.34	8.12	-22.31
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1C1CC1	REAL300018593898	0	50	0.0	-25.16	378.98	13.12	-12.04
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)C(C)=C2)C=C1	REAL300018593899	0	53	0.0	-31.22	403.96	12.75	-18.47
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CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593901	0	50	0.0	-29.71	399.17	12.67	-17.04
CC1=NN(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)C=C2)C=C1Cl	REAL300018593902	0	50	0.0	-29.93	407.32	13.24	-16.69
O=C([O-])C([NH2+]CC1=CN=C(C2CCOCC2)O1)C1CCC2=CC=CC=C21	REAL300018593903	1	50	0.0	-40.32	383.12	6.82	-33.50
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)C=C2C1C	REAL300018593905	0	51	0.0	-38.16	384.61	11.47	-26.69
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1OC(F)F	REAL300018593906	0	47	0.0	-31.93	374.39	10.89	-21.04
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593907	0	50	0.0	-27.84	383.06	9.88	-17.96
CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)NN=C1C(F)(F)F	REAL300018593908	0	43	0.0	-28.22	349.37	8.41	-19.81
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CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1O	REAL300018593910	0	44	0.0	-28.25	343.49	8.38	-19.87
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CC1=C(C)N(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)C=C2)C=N1	REAL300018593925	0	53	0.0	-42.88	408.58	13.98	-28.90
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1CCC2=CC=CC=C21	REAL300018593926	0	54	0.0	-26.38	410.12	14.60	-11.78
CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)OC2=CC=C(F)C=C12	REAL300018593928	0	46	0.0	-39.88	365.55	11.59	-28.29
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593929	0	46	0.0	-34.26	371.91	12.54	-21.72
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593930	0	50	0.0	-29.25	392.61	11.61	-17.64
CCCN1C=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300018593931	0	46	0.0	-30.44	356.31	10.28	-20.16
CC(C)N1C=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=N1	REAL300018593932	0	46	0.0	-29.87	353.48	10.03	-19.84
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593933	0	51	0.0	-26.23	381.66	11.41	-14.82
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CN1C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=NC2=C1CCCC2	REAL300018593935	0	50	0.0	-32.28	373.99	11.63	-20.65
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2C=N1)C1CCC2=CC=CC=C21	REAL300018593936	0	45	0.0	-24.44	353.70	10.92	-13.52
COC1=NC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1C	REAL300018593937	0	46	0.0	-30.78	357.71	8.33	-22.45
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1CCC2=CC=CC=C21	REAL300018593938	0	43	0.0	-37.15	353.75	11.50	-25.65
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CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593940	0	47	0.0	-26.59	377.14	11.73	-14.86
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CCC(C)N1N=CC=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593942	0	49	0.0	-26.11	373.86	10.26	-15.85
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1CCC2=CC=CC=C21	REAL300018593943	0	53	0.0	-27.29	399.82	11.63	-15.66
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COC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=CC=C1C(C)(C)C	REAL300018593945	0	56	0.0	-23.31	403.49	12.16	-11.15
CN1C=C(Br)N=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593946	0	40	0.0	-24.16	331.78	9.80	-14.36
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=N1	REAL300018593947	0	46	0.0	-37.89	356.92	7.76	-30.13
O=C([O-])C([NH2+]CC1=NC2=CC=CC=C2S1)C1CCC2=CC=CC=C21	REAL300018593948	0	42	0.0	-28.93	344.21	9.95	-18.98
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)C2)=C1	REAL300018593949	0	51	0.0	-30.28	383.55	11.50	-18.78
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)C2)=N1	REAL300018593950	0	45	0.0	-52.12	348.52	7.79	-44.33
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1CCC2=CC=CC=C21	REAL300018593951	0	51	0.0	-30.39	374.09	10.21	-20.18
CCCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593952	0	46	0.0	-33.05	351.99	11.25	-21.80
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1CCC2=CC=CC=C21	REAL300018593953	0	47	0.0	-41.39	370.50	10.33	-31.06
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1CCC2=CC=CC=C21	REAL300018593954	0	53	0.0	-26.17	401.48	14.47	-11.70
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C(C)=C1	REAL300018593955	0	53	0.0	-33.74	395.35	11.78	-21.96
CCC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=NN1CC	REAL300018593956	0	49	0.0	-25.66	374.54	10.50	-15.16
CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C(C(F)(F)F)=CO1	REAL300018593957	0	43	0.0	-22.36	352.90	10.45	-11.91
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593958	0	46	0.0	-35.22	364.42	11.89	-23.33
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1CCC2=CC=CC=C21	REAL300018593959	0	46	0.0	-28.04	373.19	11.70	-16.34
COC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C(C)=C1	REAL300018593960	0	56	0.0	-40.64	408.74	12.16	-28.48
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1CCC2=CC=CC=C21	REAL300018593961	0	53	0.0	-36.26	365.46	12.01	-24.25
CC1CCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)CC2=CC=CC=C21	REAL300018593962	0	53	0.0	-32.99	376.67	12.84	-20.15
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CCOC1=CC(CCC(C)[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=CC=C1O	REAL300018593964	0	57	0.0	-34.43	429.36	10.64	-23.79
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O=C([O-])C([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1CCC2=CC=CC=C21	REAL300018593966	0	44	0.0	-36.78	367.61	11.82	-24.96
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CC1=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)SC2=CC(F)=CC=C12	REAL300018593968	0	46	0.0	-38.95	375.19	12.58	-26.37
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CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)N=C1	REAL300018593971	0	45	0.0	-29.86	348.31	10.53	-19.33
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1OCCO	REAL300018593972	0	52	0.0	-33.55	407.03	7.60	-25.95
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CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)=C2O1	REAL300018593974	0	46	0.0	-31.54	362.94	11.52	-20.02
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CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1F	REAL300018593976	0	50	0.0	-27.94	387.90	11.41	-16.53
CC1=NN(C2CCCC2)C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)=C1	REAL300018593977	0	53	0.0	-26.60	400.64	11.57	-15.03
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O=C([O-])C([NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)C1CCC2=CC=CC=C21	REAL300018593980	0	47	0.0	-29.27	377.64	11.76	-17.51
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O=C([O-])C([NH2+]CC1=NN(CC(F)F)C=C1)C1CCC2=CC=CC=C21	REAL300018593982	0	43	0.0	-34.66	346.66	9.84	-24.82
O=C([O-])C([NH2+]CC1=NN(C2CC2(F)F)C=C1)C1CCC2=CC=CC=C21	REAL300018593983	0	44	0.0	-43.60	357.13	9.80	-33.80
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1CCC2=CC=CC=C21	REAL300018593984	0	50	0.0	-32.28	342.78	11.15	-21.13
O=C([O-])C([NH2+]CC1=NN(C2CCCC2)C=C1)C1CCC2=CC=CC=C21	REAL300018593985	0	50	0.0	-38.79	375.08	10.65	-28.14
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1CCC2=CC=CC=C21	REAL300018593986	0	43	0.0	-32.13	348.94	10.97	-21.16
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1CCC2=CC=CC=C21	REAL300018593987	0	43	0.0	-28.39	354.49	11.77	-16.62
COC1=CC=CC(CN2CCC([NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)CC2)=C1	REAL300018593988	0	59	0.0	-34.73	429.26	10.39	-24.34
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1CCC2=CC=CC=C21	REAL300018593989	0	44	0.0	-36.90	345.44	11.72	-25.18
COC1=CC=C2SC(C[NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)=NC2=C1	REAL300018593990	0	46	0.0	-32.49	376.36	9.30	-23.19
CN1N=C(C[NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C=C1C1=CC=CO1	REAL300018593991	0	47	0.0	-40.78	372.47	9.69	-31.09
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CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593993	0	50	0.0	-37.72	380.79	10.72	-27.00
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593994	0	48	0.0	-31.62	371.96	11.15	-20.47
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1CCC2=CC=CC=C21	REAL300018593995	0	48	0.0	-30.07	381.73	10.83	-19.24
CN1N=C(C2=CC=CO2)C=C1C[NH2+]C(C(=O)[O-])C1CCC2=CC=CC=C21	REAL300018593996	0	47	0.0	-31.55	375.85	9.74	-21.81
CC(C)(C)N1CCCC([NH2+]C(C(=O)[O-])C2CCC3=CC=CC=C32)C1	REAL300018593997	0	54	0.0	-30.11	375.31	9.13	-20.98
O=C([O-])C([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1CCC2=CC=CC=C21	REAL300018593998	0	53	0.0	-28.00	413.20	15.41	-12.59
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)C1CCC2=CC=CC=C21	REAL300018593999	0	49	0.0	-30.02	380.01	12.54	-17.48
CC1=CC=C(C2CCC([NH2+]C(C(=O)[O-])C3CCC4=CC=CC=C43)CC2)C=C1	REAL300018594000	0	56	0.0	-39.93	407.81	13.91	-26.02
CC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1F	REAL300018605232	0	43	0.0	-70.52	348.47	11.26	-59.26
CC1(C)CCCCC1[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605233	0	49	0.0	-57.72	347.75	10.98	-46.74
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])C1	REAL300018605235	0	42	0.0	-62.87	358.28	11.62	-51.25
CC(C)=CCCC(C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605236	0	49	0.0	-56.67	362.87	11.32	-45.35
CC1(C)CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC(C)(C)C1	REAL300018605237	0	55	0.0	-56.94	384.43	11.56	-45.38
CC(CCC1=CNC2=CC=CC=C12)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605238	0	53	0.0	-64.49	410.48	12.72	-51.77
COC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(Cl)=C1OC	REAL300018605239	0	48	0.0	-64.43	396.40	10.33	-54.10
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C1	REAL300018605240	0	47	0.0	-64.65	385.49	13.06	-51.59
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=CC=CC=C3S2)C1	REAL300018605241	0	43	0.0	-62.24	355.92	11.99	-50.25
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605242	0	50	0.0	-67.18	391.04	11.40	-55.78
CCCCCCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605243	0	62	0.0	-63.29	476.89	14.55	-48.74
CC(C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018605244	0	61	0.0	-60.35	451.00	14.75	-45.60
CC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=C1F	REAL300018605245	0	43	0.0	-66.45	345.24	11.16	-55.29
CC1CCC(C)C([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300018605246	0	49	0.0	-61.81	344.51	11.09	-50.72
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=C3NC=CC3=CC=C2)C1	REAL300018605247	0	44	0.0	-64.07	349.49	10.44	-53.63
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CSC([N+](=O)[O-])=C2)C1	REAL300018605248	0	39	0.0	-82.10	341.81	10.35	-71.75
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC=C2N2CCOCC2)C1	REAL300018605249	0	53	0.0	-58.46	402.70	10.01	-48.45
CC1CC(C)CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300018605250	0	49	0.0	-58.93	355.40	10.91	-48.02
CC(C)CC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605251	0	52	0.0	-59.99	399.09	13.07	-46.92
CC1=CC=C(C2=CC=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=C2)C=C1	REAL300018605252	0	53	0.0	-64.15	414.01	14.53	-49.62
CC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC(C)=C1	REAL300018605253	0	46	0.0	-60.82	360.86	11.75	-49.07
COC1=CC=C(Br)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605254	0	44	0.0	-64.87	366.62	10.42	-54.45
COC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1[N+](=O)[O-]	REAL300018605255	0	46	0.0	-77.85	377.27	11.29	-66.56
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC(Cl)=CC(Cl)=C2)C1	REAL300018605256	0	40	0.0	-65.50	351.40	11.40	-54.10
CC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605257	0	46	0.0	-64.06	354.88	11.61	-52.45
CC1=CC=CC=C1C1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605258	0	53	0.0	-63.48	414.59	14.54	-48.94
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC(OC(F)F)=C2)C1	REAL300018605259	0	44	0.0	-66.32	357.78	10.04	-56.28
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1OCC	REAL300018605260	0	54	0.0	-67.19	420.57	11.48	-55.71
CC(C)C1CCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300018605261	0	52	0.0	-55.11	366.31	11.75	-43.36
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C1	REAL300018605262	0	43	0.0	-69.20	370.32	11.86	-57.34
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(F)C=C2Br)C1	REAL300018605263	0	40	0.0	-70.08	343.60	11.20	-58.88
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C1	REAL300018605264	0	43	0.0	-78.01	361.36	9.65	-68.36
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=NC3=CC=CC=C23)C1	REAL300018605265	0	45	0.0	-73.84	358.19	10.81	-63.03
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C1	REAL300018605266	0	44	0.0	-71.14	367.73	10.34	-60.80
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605267	0	46	0.0	-78.67	382.43	8.07	-70.60
COC1=CC=CC=C1C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605268	0	54	0.0	-68.01	429.94	13.60	-54.41
CC(CCOCC1=CC=CC=C1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605269	0	53	0.0	-58.72	408.93	11.83	-46.89
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C1	REAL300018605270	0	47	0.0	-63.14	376.23	12.63	-50.51
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C1	REAL300018605271	0	50	0.0	-68.53	412.69	14.49	-54.04
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C1	REAL300018605272	0	50	0.0	-65.28	409.43	14.38	-50.90
CC(C)CCCC(C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605273	0	51	0.0	-59.77	379.19	11.70	-48.07
COC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C2=CC=CC=C12	REAL300018605274	0	50	0.0	-70.38	391.07	12.04	-58.34
CCC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)S1	REAL300018605275	0	43	0.0	-60.16	351.70	11.13	-49.03
CN1C2=CC=CC=C2N=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605276	0	46	0.0	-69.17	368.43	10.91	-58.26
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3OCCC3=C2)C1	REAL300018605277	0	45	0.0	-65.89	354.01	10.28	-55.61
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CSC(Br)=C2)C1	REAL300018605278	0	37	0.0	-63.63	329.79	10.13	-53.50
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)C1	REAL300018605279	0	53	0.0	-61.86	426.53	12.10	-49.76
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C1	REAL300018605280	0	53	0.0	-61.25	426.45	12.12	-49.13
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(N3CCCC3)N=C2)C1	REAL300018605281	0	51	0.0	-66.13	391.95	10.31	-55.82
CS(=O)(=O)NC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605282	0	48	0.0	-78.09	395.12	7.27	-70.82
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=C3C=CNC3=CC=C2)C1	REAL300018605283	0	44	0.0	-64.67	352.93	10.57	-54.10
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3C=CNC3=C2)C1	REAL300018605284	0	44	0.0	-64.03	349.48	10.47	-53.56
CC(CC1=CC=CS1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605285	0	43	0.0	-59.07	342.83	10.85	-48.22
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C1	REAL300018605286	0	43	0.0	-63.86	357.58	9.53	-54.33
CC1=CC(F)=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605287	0	43	0.0	-69.16	342.94	11.22	-57.94
CC1(C)CCC2=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=CC=C2O1	REAL300018605288	0	54	0.0	-69.08	412.24	12.35	-56.73
CC(CC(C)(C)C1=CC=CC=C1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605289	0	55	0.0	-56.89	392.80	13.16	-43.73
CN(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605290	0	48	0.0	-55.75	369.44	10.45	-45.30
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O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C1	REAL300018605292	0	49	0.0	-67.21	387.95	12.11	-55.10
CN1CCN(C2=CC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C=C2)CC1	REAL300018605293	1	57	0.0	-66.33	430.83	9.23	-57.10
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605294	0	56	0.0	-61.44	421.18	7.94	-53.50
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CCCCC1CCCC1[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605395	0	52	0.0	-56.78	380.37	11.99	-44.79
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CC(CSC(C)(C)C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605413	0	49	0.0	-56.91	373.64	11.18	-45.73
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COC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)SC=C1	REAL300018605428	0	41	0.0	-55.48	338.26	8.84	-46.64
CC(C)COC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605429	0	53	0.0	-65.04	414.71	12.27	-52.77
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COC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1CN1C=CC=N1	REAL300018605431	0	54	0.0	-68.35	433.97	11.54	-56.81
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CC(C)COC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605434	0	53	0.0	-63.21	413.26	12.32	-50.89
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CC1(C)CC2=CC=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=C2O1	REAL300018605436	0	51	0.0	-65.10	398.98	11.75	-53.35
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CC(C)(C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)N1CCOCC1	REAL300018605441	0	52	0.0	-58.60	371.02	7.41	-51.19
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CCC([NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CCCC1	REAL300018605443	0	49	0.0	-54.52	342.36	10.68	-43.84
CC(CC1=CC=C(F)C=C1Cl)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605444	0	46	0.0	-56.27	370.00	12.10	-44.17
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CCC1=NC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300018605446	0	44	0.0	-68.32	350.99	8.98	-59.34
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CC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)SC=N1	REAL300018605456	0	39	0.0	-67.56	325.63	8.30	-59.26
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CC(CC1=CN=CC=N1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605458	0	44	0.0	-60.55	343.80	8.04	-52.51
CC(C)(C)C1=NC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300018605459	0	50	0.0	-72.29	393.34	10.49	-61.80
COC1=CC=CC=C1N1CCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300018605460	0	56	0.0	-61.16	414.90	10.17	-50.99
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COC1=CC=C(OC(F)F)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605462	0	48	0.0	-63.43	385.89	9.37	-54.06
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CCC1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CCO1	REAL300018605481	0	47	0.0	-66.57	340.46	9.03	-57.54
CC(C)C1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CCO1	REAL300018605482	0	50	0.0	-60.49	352.64	9.51	-50.98
CCN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C2=CC=CC=C2)=N1	REAL300018605483	0	53	0.0	-64.77	418.85	12.43	-52.34
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3CCCCC3=C2)C1	REAL300018605484	0	50	0.0	-64.86	384.42	13.04	-51.82
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCC(C3CCCCC3)CC2)C1	REAL300018605485	0	59	0.0	-56.67	410.44	13.24	-43.43
CC(C)CC(C)CC(C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605486	0	54	0.0	-59.96	389.17	11.95	-48.01
CC1=CC=C(C(C)C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605487	0	49	0.0	-62.95	379.14	12.50	-50.45
COC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1C(C)(C)C	REAL300018605488	0	56	0.0	-62.69	418.81	12.43	-50.26
COCC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)O1	REAL300018605489	0	44	0.0	-66.30	358.07	8.55	-57.75
CC(C)(C)OC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605490	0	53	0.0	-62.90	398.80	11.60	-51.30
CC(C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CCCCC1	REAL300018605491	0	52	0.0	-62.16	377.58	11.97	-50.19
NS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605492	0	45	0.0	-74.62	372.19	5.36	-69.26
CCC(CC)(CC)C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605493	0	51	0.0	-60.87	360.24	11.03	-49.84
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCC3=CC=CC(Cl)=C3C2)C1	REAL300018605494	0	47	0.0	-59.64	365.58	12.21	-47.43
CCOC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C)=C1	REAL300018605495	0	50	0.0	-67.89	387.88	11.38	-56.51
COC1=CC(C)=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605496	0	47	0.0	-56.83	367.67	10.46	-46.37
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2CCC3=CC=CC=C3C2)C1	REAL300018605497	0	50	0.0	-63.39	377.61	12.87	-50.52
NC1=C(Cl)C=C(Cl)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605498	0	42	0.0	-69.42	363.38	9.63	-59.79
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCC(C3=CC=C(F)C=C3)C2)C1	REAL300018605499	0	50	0.0	-61.88	383.80	12.86	-49.02
CC1=NC(C)=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)O1	REAL300018605500	0	42	0.0	-65.39	336.55	6.60	-58.79
COCC1=CSC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605501	0	44	0.0	-61.22	363.54	9.23	-51.99
CCCC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)S1	REAL300018605502	0	46	0.0	-62.69	376.86	12.01	-50.68
CC(C)N1C=CN=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605503	0	46	0.0	-63.71	362.59	10.35	-53.36
CC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=CC=C1[N+](=O)[O-]	REAL300018605504	0	45	0.0	-71.55	355.73	11.53	-60.02
CC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=C1Br	REAL300018605505	0	43	0.0	-65.20	358.01	11.64	-53.56
COC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=C1Cl	REAL300018605506	0	44	0.0	-71.75	367.27	10.40	-61.35
CC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CS1	REAL300018605507	0	40	0.0	-60.99	329.97	10.19	-50.80
COC1=CC=CC(C)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605508	0	47	0.0	-55.81	362.76	10.35	-45.46
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=C3OC=CC3=CC=C2)C1	REAL300018605509	0	43	0.0	-63.64	345.85	10.78	-52.86
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN(C3=CC=CC=C3)C=C2)C1	REAL300018605510	0	47	0.0	-62.34	377.40	11.57	-50.77
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN=C(C(F)(F)F)S2)C1	REAL300018605511	0	39	0.0	-70.30	344.14	8.85	-61.45
CCC1=NN(C)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605512	0	46	0.0	-66.12	362.08	9.56	-56.56
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN3CCCCC3=C2)C1	REAL300018605513	0	47	0.0	-59.61	363.11	9.78	-49.83
CCC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605514	0	46	0.0	-60.42	360.93	11.84	-48.58
COC1=NC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)S1	REAL300018605515	0	40	0.0	-69.86	339.24	6.15	-63.71
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CC3=CC=C(Cl)C=C3C2)C1	REAL300018605516	0	44	0.0	-63.56	351.61	11.81	-51.75
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=C(C=N2)OCCO3)C1	REAL300018605517	0	45	0.0	-66.17	361.23	7.90	-58.27
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN=C3C=CC(Cl)=CN23)C1	REAL300018605518	0	43	0.0	-72.79	365.31	11.49	-61.30
CC1=CC=CN2C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=CN=C12	REAL300018605519	0	46	0.0	-70.41	365.99	11.42	-58.99
CCN1N=CN=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605520	0	42	0.0	-75.79	335.01	9.70	-66.09
CN1C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CN=C1Cl	REAL300018605521	0	40	0.0	-75.14	338.11	9.42	-65.72
CN1C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CN=C1Br	REAL300018605522	0	40	0.0	-71.84	342.28	9.44	-62.40
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)C1	REAL300018605523	0	46	0.0	-72.69	377.46	10.33	-62.36
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC(C(F)(F)F)=NN2)C1	REAL300018605524	0	40	0.0	-77.45	343.00	7.91	-69.54
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=C(F)C=CC=C3N2)C1	REAL300018605525	0	44	0.0	-70.60	360.11	10.56	-60.04
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=CC=C(F)C=C3N2)C1	REAL300018605526	0	44	0.0	-72.50	360.01	10.54	-61.96
CCOC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300018605527	0	46	0.0	-70.07	370.77	8.14	-61.93
CC1=C(Cl)C=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605528	0	43	0.0	-64.09	346.95	11.44	-52.65
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=CC=NC=C3S2)C1	REAL300018605529	0	42	0.0	-72.91	353.84	10.29	-62.62
CC1=CC=CC2=NC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)N21	REAL300018605530	0	46	0.0	-73.90	359.10	11.36	-62.54
CC(CCC1=NNC2=CC=CC=C21)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605531	0	52	0.0	-61.27	401.82	11.16	-50.11
CCC([NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1CC1(C)C	REAL300018605532	0	49	0.0	-52.33	358.36	11.10	-41.23
C=CCCCCCC(C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605533	0	52	0.0	-55.61	392.01	12.39	-43.22
C=CCCCCC(C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605534	0	49	0.0	-60.02	374.43	11.76	-48.26
CC1=CC(Cl)=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605535	0	43	0.0	-62.96	356.26	11.61	-51.35
COCC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605536	0	47	0.0	-67.16	376.80	10.28	-56.88
COCC(CC(C)(C)C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605537	0	52	0.0	-59.89	374.97	9.97	-49.92
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=CC=CC(F)=C3N=C2)C1	REAL300018605538	0	45	0.0	-75.71	365.56	10.88	-64.83
CC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC2=CC=CN=C12	REAL300018605539	0	48	0.0	-68.15	379.38	11.63	-56.52
CC(C)C1CCCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300018605540	0	52	0.0	-58.00	358.76	11.44	-46.56
CC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)SN=N1	REAL300018605541	0	38	0.0	-74.44	320.92	7.70	-66.74
CCCOC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1C	REAL300018605542	0	53	0.0	-63.44	411.45	12.23	-51.21
COC1=C(C)C=NC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1C	REAL300018605543	0	49	0.0	-61.82	380.54	9.23	-52.59
COC1=CC2=CC=CC=C2C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605544	0	50	0.0	-61.93	391.97	12.08	-49.85
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCCCC23CCCC3)C1	REAL300018605545	0	53	0.0	-58.41	371.13	12.21	-46.20
CCC1CCCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300018605546	0	49	0.0	-63.52	345.53	11.07	-52.45
CS(=O)(=O)C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)S1	REAL300018605547	0	43	0.0	-74.91	371.12	7.12	-67.79
NC1=C(F)C=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605548	0	42	0.0	-69.45	337.68	8.66	-60.79
CC1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CCN1CC1=CC=CC=C1	REAL300018605549	0	58	0.0	-58.41	414.16	10.86	-47.55
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605550	0	60	0.0	-58.21	454.02	13.57	-44.64
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605551	0	60	0.0	-58.61	460.42	13.53	-45.08
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C(F)F)C=C2)C1	REAL300018605552	0	43	0.0	-69.84	353.99	11.42	-58.42
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=CC(Cl)=CN=C3O2)C1	REAL300018605553	0	42	0.0	-71.01	361.23	8.53	-62.48
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC3=C2CCC3)C1	REAL300018605554	0	47	0.0	-64.82	365.98	12.37	-52.45
CN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C([N+](=O)[O-])=N1	REAL300018605555	0	42	0.0	-80.00	346.45	9.83	-70.17
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NC(Cl)=CS2)C1	REAL300018605556	0	36	0.0	-71.87	323.52	8.12	-63.75
COC1=NSC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605557	0	40	0.0	-67.68	335.81	6.38	-61.30
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NC=CC3=CC=CC=C32)C1	REAL300018605558	0	45	0.0	-63.93	355.88	10.72	-53.21
COC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605559	0	44	0.0	-59.36	363.93	10.31	-49.05
CC1=NC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)N1C1=CC=CC=C1	REAL300018605560	0	50	0.0	-66.67	402.42	12.88	-53.79
CCCN1N=C(C)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1C	REAL300018605561	0	52	0.0	-69.87	405.91	10.91	-58.96
CCN(CC)C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1F	REAL300018605562	0	54	0.0	-68.96	422.41	11.72	-57.24
CCOC1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C12CCCC2	REAL300018605563	0	54	0.0	-61.47	403.05	11.59	-49.88
COC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C(SC)C=C1OC	REAL300018605564	0	52	0.0	-61.61	412.41	10.56	-51.05
CN(C)C1=CC=C(N2CCC([NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)CC2)C=C1	REAL300018605565	0	60	0.0	-60.88	433.93	10.96	-49.92
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605566	0	51	0.0	-69.51	389.98	12.85	-56.66
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCCC23CCCC3)C1	REAL300018605567	0	50	0.0	-54.62	351.00	11.60	-43.02
CCCC(C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C1=CC=CC=C1	REAL300018605568	0	52	0.0	-59.40	395.08	13.04	-46.36
CC1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC(C2=CC=CC=C2)C1	REAL300018605569	0	56	0.0	-60.82	392.21	14.14	-46.68
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN=C(C3CC3)O2)C1	REAL300018605570	0	43	0.0	-65.76	346.83	7.74	-58.02
CC(C)OC1=CC=C(F)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605571	0	50	0.0	-58.77	392.39	11.43	-47.34
CC(C)(C)C1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300018605572	0	49	0.0	-56.26	359.20	10.95	-45.31
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CCC1CCCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300018605630	0	52	0.0	-59.01	370.18	11.54	-47.47
CC1(C)CCCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300018605631	0	52	0.0	-56.90	361.29	11.03	-45.87
CC(C)(C)C1CCCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC1	REAL300018605632	0	58	0.0	-61.55	398.58	12.25	-49.30
CC1CC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CCN1C	REAL300018605633	0	48	0.0	-58.09	345.79	7.68	-50.41
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CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605643	0	57	0.0	-61.63	415.21	11.07	-50.56
CC1=CC=C(CC[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605644	0	46	0.0	-59.91	361.44	11.91	-48.00
CCCCC(C)C(C)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605645	0	51	0.0	-58.98	374.97	11.54	-47.44
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CC(CC1=CN(C)N=C1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605663	0	46	0.0	-63.46	356.03	9.48	-53.98
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CC(C)SC1=CC=CC(Cl)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605666	0	50	0.0	-53.65	407.90	13.16	-40.49
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605667	1	60	0.0	-63.60	440.78	12.86	-50.74
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605668	0	52	0.0	-66.08	399.59	13.06	-53.02
COCC(CC1CCOCC1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605669	0	54	0.0	-62.31	399.81	8.87	-53.44
CN1C=C(CCC[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300018605670	0	46	0.0	-65.07	363.94	9.78	-55.29
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCCC2C2=CC=CC=C2Cl)C1	REAL300018605671	0	50	0.0	-56.73	384.17	13.46	-43.27
CN1CCN(C2=NC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C=N2)CC1	REAL300018605672	0	55	0.0	-69.40	421.42	8.68	-60.72
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)C1	REAL300018605673	0	51	0.0	-60.12	406.87	13.89	-46.23
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CC1CCC2=C(C1)SC(C[NH2+][C@H]1C[C@H](C3=CC=CC=C3C(=O)[O-])C1)=N2	REAL300018605675	0	49	0.0	-61.76	387.35	10.75	-51.01
CCC1=CN=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)S1	REAL300018605676	0	42	0.0	-66.65	349.92	9.27	-57.38
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(F)N=C2)C1	REAL300018605677	0	39	0.0	-76.72	322.93	8.71	-68.01
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC=C2N2CCCCC2)C1	REAL300018605678	0	55	0.0	-59.22	415.57	12.57	-46.65
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCC3COCCC3C2)C1	REAL300018605679	0	51	0.0	-58.25	362.92	9.96	-48.29
CC1(C)CC2(CC([NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C2)CO1	REAL300018605680	0	51	0.0	-64.29	385.88	10.09	-54.20
CC1CC2(CC([NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C2)CO1	REAL300018605681	0	48	0.0	-60.40	362.30	9.32	-51.08
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCOC3=CC=CC=C3C2)C1	REAL300018605682	0	48	0.0	-63.02	366.39	10.80	-52.22
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCCC3=C(C=CS3)C2)C1	REAL300018605683	0	47	0.0	-62.06	358.87	11.46	-50.60
CN1C=NC2=CC=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=C21	REAL300018605684	0	46	0.0	-69.47	356.45	11.66	-57.81
COC1=CC=C(C)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605685	0	47	0.0	-66.70	366.07	10.45	-56.25
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NOC(C3CCC3)=C2)C1	REAL300018605686	0	46	0.0	-60.97	363.28	10.69	-50.28
CC1(C2=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=NO2)CC1	REAL300018605687	0	46	0.0	-63.68	369.16	10.68	-53.00
CCC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605688	0	46	0.0	-60.35	351.89	11.72	-48.63
CC1=CC(F)=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605689	0	43	0.0	-70.37	349.55	11.29	-59.08
CC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C)=C1C	REAL300018605690	0	49	0.0	-64.04	371.27	12.26	-51.78
CC(C)(C)C1=CC=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605691	0	52	0.0	-61.81	370.79	12.85	-48.96
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN=C3CCCCCN23)C1	REAL300018605692	0	50	0.0	-72.70	377.77	10.95	-61.75
COC1=CC=C2SC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=CC2=C1	REAL300018605693	0	47	0.0	-68.19	388.70	11.36	-56.83
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CON=C2C2CC2)C1	REAL300018605694	0	43	0.0	-72.90	349.96	10.15	-62.75
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=NO2)C1	REAL300018605695	0	46	0.0	-73.03	376.73	11.70	-61.33
CCN1CCC2=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=CC=C21	REAL300018605696	0	52	0.0	-63.08	396.19	10.91	-52.17
CC1(C)CC2(CO1)CCC([NH2+][C@H]1C[C@H](C3=CC=CC=C3C(=O)[O-])C1)CC2	REAL300018605697	0	57	0.0	-58.65	405.36	10.75	-47.90
CSC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1Cl	REAL300018605698	0	44	0.0	-73.02	376.88	12.00	-61.02
CC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=C1C1CC1	REAL300018605699	0	50	0.0	-65.25	388.77	13.17	-52.08
COC1=CC=CC2=C1CCCC([NH2+][C@H]1C[C@H](C3=CC=CC=C3C(=O)[O-])C1)C2	REAL300018605700	0	54	0.0	-59.53	397.24	11.80	-47.73
CCOC1=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=N1	REAL300018605701	0	46	0.0	-68.75	367.46	8.10	-60.65
CC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1C1CC1	REAL300018605702	0	50	0.0	-65.26	388.12	13.16	-52.10
CC1=NN(C2=CC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C(C)=C2)C=C1	REAL300018605703	0	53	0.0	-72.17	416.87	12.93	-59.24
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CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605705	0	50	0.0	-71.71	412.61	12.79	-58.92
CC1=NN(C2=CC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C=C2)C=C1Cl	REAL300018605706	0	50	0.0	-72.09	418.65	12.83	-59.26
CC(C)CC1CCCC1[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605707	0	52	0.0	-59.36	382.71	11.94	-47.42
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN=C(C3CCOCC3)O2)C1	REAL300018605708	0	50	0.0	-66.92	390.41	6.89	-60.03
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NOC(C3CC3)=C2)C1	REAL300018605709	0	43	0.0	-70.06	350.23	10.27	-59.79
CC1OC2=CC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C=C2C1C	REAL300018605710	0	51	0.0	-69.90	395.02	11.65	-58.25
CC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1OC(F)F	REAL300018605711	0	47	0.0	-63.57	377.46	10.77	-52.80
CC(C)C1=CC=C(O)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605712	0	50	0.0	-64.29	389.69	9.85	-54.44
CC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)NN=C1C(F)(F)F	REAL300018605713	0	43	0.0	-73.30	356.23	8.31	-64.99
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCC3(CCC3)CC2)C1	REAL300018605714	0	50	0.0	-55.96	361.08	11.47	-44.49
CC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1O	REAL300018605715	0	44	0.0	-63.10	349.22	8.35	-54.75
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NC(C3CC3)=CS2)C1	REAL300018605716	0	43	0.0	-63.67	357.58	9.78	-53.89
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN(CC3CC3)N=N2)C1	REAL300018605717	0	46	0.0	-63.84	367.57	9.29	-54.55
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3CCOC3=C2)C1	REAL300018605718	0	45	0.0	-65.80	354.38	10.30	-55.50
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NC3=C(CCCC3)N2)C1	REAL300018605719	0	47	0.0	-65.60	364.59	9.61	-55.99
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3COCCC3=C2)C1	REAL300018605720	0	48	0.0	-68.01	375.31	10.63	-57.38
CC1=CC=CC(F)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605721	0	43	0.0	-57.17	340.46	10.98	-46.19
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC=C2C2CCC2)C1	REAL300018605722	0	50	0.0	-60.33	376.79	12.81	-47.52
CN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C2CCOCC2)=N1	REAL300018605723	0	54	0.0	-68.74	416.29	9.59	-59.15
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)C1	REAL300018605724	0	48	0.0	-69.86	382.80	10.29	-59.57
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CC(COCC3=CC=CC=C3)C2)C1	REAL300018605725	0	54	0.0	-65.30	420.91	12.36	-52.94
CSC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605726	0	44	0.0	-63.30	358.34	11.46	-51.84
CC(C)(C)N1N=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605727	0	49	0.0	-69.06	369.47	10.12	-58.94
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CCC3=CC(Cl)=CC=C3C2)C1	REAL300018605728	0	47	0.0	-65.63	375.53	12.57	-53.06
CC(C)C1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)N(C)N=C1	REAL300018605729	0	49	0.0	-67.52	379.43	9.90	-57.62
CCC([NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1)C(C)CC1=CC=CC=C1	REAL300018605730	0	55	0.0	-58.08	397.57	13.21	-44.87
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(CC3CC3)S2)C1	REAL300018605731	0	47	0.0	-59.11	383.32	12.68	-46.43
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(OC3CC3)C=C2)C1	REAL300018605732	0	48	0.0	-64.87	378.80	11.39	-53.48
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)C1	REAL300018605733	0	44	0.0	-63.08	369.03	10.29	-52.79
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)C1	REAL300018605734	0	46	0.0	-72.26	392.95	12.43	-59.83
CC1=NC=CN1C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C)=C1	REAL300018605735	0	53	0.0	-74.03	414.28	13.54	-60.49
CC1=C(C)N(C2=CC=C(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C=C2)C=N1	REAL300018605736	0	53	0.0	-75.57	421.62	14.23	-61.34
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)C1	REAL300018605737	0	54	0.0	-61.21	412.37	14.41	-46.80
CC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)OC2=CC=C(F)C=C12	REAL300018605739	0	46	0.0	-67.87	373.19	11.68	-56.19
CC(CC1=CC=C(Cl)C=C1F)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605740	0	46	0.0	-56.33	371.62	12.15	-44.18
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605741	0	50	0.0	-71.78	398.56	11.58	-60.20
CCCN1C=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300018605742	0	46	0.0	-67.13	367.68	9.88	-57.25
CC(C)N1C=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=N1	REAL300018605743	0	46	0.0	-62.65	364.88	9.64	-53.01
CC(C)(C)C1=CN=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605744	0	51	0.0	-67.59	393.11	11.04	-56.55
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN(CC(F)(F)F)C=C2)C1	REAL300018605745	0	43	0.0	-65.67	363.99	9.63	-56.04
CN1C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=NC2=C1CCCC2	REAL300018605746	0	50	0.0	-65.29	384.74	11.23	-54.06
CN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C(F)(F)F)=N1	REAL300018605747	0	43	0.0	-76.04	357.88	9.31	-66.73
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=CC=CC=C3C=N2)C1	REAL300018605748	0	45	0.0	-67.74	363.21	10.99	-56.75
COC1=NC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=C1C	REAL300018605749	0	46	0.0	-70.03	369.05	7.93	-62.10
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC(C(F)F)=C2F)C1	REAL300018605750	0	43	0.0	-64.23	360.22	11.46	-52.77
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=CC3=C2COCC3)C1	REAL300018605751	0	48	0.0	-68.07	368.36	10.53	-57.54
CCOC1=CC=C(Cl)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605752	0	47	0.0	-62.22	388.47	11.35	-50.87
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)C1	REAL300018605753	0	47	0.0	-73.68	384.70	10.47	-63.21
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC3=C(CCCC3)O2)C1	REAL300018605754	0	47	0.0	-64.71	366.01	11.36	-53.35
CCC(C)N1N=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605755	0	49	0.0	-66.67	379.42	10.21	-56.46
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN(C3CCCCC3)N=C2)C1	REAL300018605756	0	53	0.0	-62.92	402.78	11.49	-51.43
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COC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=CC=C1C(C)(C)C	REAL300018605758	0	56	0.0	-66.04	413.96	12.33	-53.71
CN1C=C(Br)N=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605759	0	40	0.0	-67.17	343.90	9.42	-57.75
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COC1=CC=CC(C2CC([NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)C2)=C1	REAL300018605762	0	51	0.0	-65.36	394.13	11.60	-53.76
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CCC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=NN1CC	REAL300018605769	0	49	0.0	-64.68	375.95	10.30	-54.38
CC1=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C(F)(F)F)=CO1	REAL300018605770	0	43	0.0	-68.79	361.08	10.33	-58.46
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CN1C=C(C2=NNC=C2C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300018605773	0	47	0.0	-74.20	382.11	8.23	-65.97
COC1=CC=C(CCC(C)[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C)=C1	REAL300018605774	0	56	0.0	-67.34	419.48	12.28	-55.06
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CC1CCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)CC2=CC=CC=C21	REAL300018605776	0	53	0.0	-57.52	379.18	12.58	-44.94
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CCOC1=CC(CCC(C)[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=CC=C1O	REAL300018605778	0	57	0.0	-62.62	436.96	10.55	-52.07
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COCC1=CC=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605784	0	47	0.0	-63.99	364.95	10.29	-53.70
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COC1=CC=C(F)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1OC	REAL300018605789	0	48	0.0	-58.60	382.86	9.74	-48.86
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CCN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C2CC2)=N1	REAL300018605791	0	50	0.0	-64.94	394.55	11.29	-53.65
CCC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)N=C1	REAL300018605792	0	45	0.0	-67.34	359.62	10.13	-57.21
COC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1OCCO	REAL300018605793	0	52	0.0	-75.62	413.75	7.58	-68.04
CN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C(C2=CC=NN2C)=N1	REAL300018605794	0	50	0.0	-65.97	390.74	9.00	-56.97
CC(C)(C)C1=NOC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605795	0	48	0.0	-64.93	361.76	10.07	-54.86
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CC1=CC2=CC=CC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=C2O1	REAL300018605797	0	46	0.0	-68.07	370.97	11.70	-56.37
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O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CON=C2C2CCC2)C1	REAL300018605800	0	46	0.0	-71.92	366.45	10.63	-61.29
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C(F)(F)F)C=C2F)C1	REAL300018605801	0	43	0.0	-63.99	361.79	11.50	-52.49
CC(C)OC1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1F	REAL300018605802	0	50	0.0	-70.64	397.40	11.47	-59.17
CC1=NN(C2CCCC2)C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1	REAL300018605803	0	53	0.0	-67.45	406.15	11.50	-55.95
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=NN2CC(F)F)C1	REAL300018605804	0	43	0.0	-76.81	356.81	9.28	-67.53
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)C1	REAL300018605806	0	47	0.0	-71.76	386.98	11.82	-59.94
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN(C3CCC3)C=C2)C1	REAL300018605807	0	47	0.0	-59.53	366.31	10.11	-49.42
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN(CC(F)F)C=C2)C1	REAL300018605808	0	43	0.0	-71.58	357.97	9.43	-62.15
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN(C3CC3(F)F)C=C2)C1	REAL300018605809	0	44	0.0	-67.52	367.54	9.96	-57.56
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CC3CCCC(C3)C2)C1	REAL300018605810	0	50	0.0	-57.11	344.67	10.88	-46.23
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=NN(C3CCCC3)C=C2)C1	REAL300018605811	0	50	0.0	-66.90	387.47	10.89	-56.01
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=C3OC=CC3=C(F)C=C2)C1	REAL300018605812	0	43	0.0	-72.46	355.51	10.93	-61.53
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=C3OC=CC3=CC(Cl)=C2)C1	REAL300018605813	0	43	0.0	-62.34	362.15	11.28	-51.06
COC1=CC=CC(CN2CCC([NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)CC2)=C1	REAL300018605814	0	59	0.0	-60.65	442.32	10.23	-50.42
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC=CC2=CC=CC=C2)C1	REAL300018605815	0	44	0.0	-62.05	349.17	11.73	-50.32
COC1=CC=C2SC(C[NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)=NC2=C1	REAL300018605816	0	46	0.0	-64.22	379.34	9.17	-55.05
CC1=CC(Br)=CC(C)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605817	0	46	0.0	-63.13	372.47	12.06	-51.07
CN1N=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1C1=CC=CO1	REAL300018605818	0	47	0.0	-66.79	383.25	9.86	-56.93
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=C(Cl)C=CC3=C2OCO3)C1	REAL300018605819	0	43	0.0	-61.97	361.80	9.59	-52.38
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CC1=NN(C2CCC2)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605821	0	50	0.0	-69.92	389.52	10.92	-59.00
COC1=CC=CC=C1C=CC[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605822	0	48	0.0	-61.96	377.46	11.04	-50.92
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)C1	REAL300018605823	0	48	0.0	-70.01	387.33	10.78	-59.23
CN1N=C(C2=CC=CO2)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605824	0	47	0.0	-74.37	384.96	9.82	-64.55
CC(C)(C)N1CCCC([NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C1	REAL300018605825	0	54	0.0	-55.31	381.34	8.94	-46.37
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)C1	REAL300018605826	0	53	0.0	-66.69	424.54	15.01	-51.68
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC(C3=CC=CC=C3)=CC=N2)C1	REAL300018605827	0	49	0.0	-69.31	391.25	12.13	-57.18
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605828	0	61	0.0	-63.46	448.34	12.46	-51.00
CC1=CC=C(C2CCC([NH2+][C@H]3C[C@H](C4=CC=CC=C4C(=O)[O-])C3)CC2)C=C1	REAL300018605829	0	56	0.0	-58.04	409.44	14.20	-43.84
COC1=CC(C)=CC(OC)=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605830	0	51	0.0	-53.48	395.85	9.82	-43.66
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(CF)C=C2)C1	REAL300018605831	0	43	0.0	-68.04	349.61	11.34	-56.70
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)C1	REAL300018605832	0	44	0.0	-73.73	383.68	10.88	-62.85
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C3SC=CC3=C2)C1	REAL300018605833	0	43	0.0	-69.91	358.66	11.92	-57.99
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)C1	REAL300018605834	0	49	0.0	-70.82	391.16	12.22	-58.60
CC(CC1=CN(C)N=C1)[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605835	0	46	0.0	-63.46	356.03	9.48	-53.98
O=C([O-])C1=CC=CC=C1[C@H]1C[C@H]([NH2+]C2CC3CC=CCC3C2)C1	REAL300018605836	0	48	0.0	-57.33	354.23	11.55	-45.78
CC1=CC=CC(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)=C1C(F)(F)F	REAL300018605837	0	46	0.0	-55.57	360.11	11.85	-43.72
C=CCN1C=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=N1	REAL300018605838	0	44	0.0	-66.52	355.66	9.68	-56.84
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CCC(C)C1=CC=C(C[NH2+][C@H]2C[C@H](C3=CC=CC=C3C(=O)[O-])C2)C=C1	REAL300018605840	0	52	0.0	-64.66	400.42	13.14	-51.52
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CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605842	0	53	0.0	-68.39	416.60	12.89	-55.50
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CC(=CC1=CC(F)=CC(F)=C1)C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605844	0	47	0.0	-64.53	377.78	12.24	-52.29
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CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605847	0	58	0.0	-69.18	446.92	12.19	-56.99
COC1=C2C=CNC2=CC=C1C[NH2+][C@H]1C[C@H](C2=CC=CC=C2C(=O)[O-])C1	REAL300018605848	0	48	0.0	-60.69	379.37	9.87	-50.82
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O=C([O-])[C@@H]1CC[C@H](C[N@@H+](CCC2=CC=CC=C2)CCC2=CC=NC=C2)C1	REAL300018605920	1	54	0.0	-76.15	413.78	13.79	-62.36
O=C([O-])C1=CC=C(O)C(C[N@H+](CCC2=CC=CC=C2)CCC2=CC=NC=C2)=C1	REAL300018605921	0	52	0.0	-74.54	412.54	11.00	-63.54
O=C([O-])C1=CC=C(O)C(C[N@@H+](CCC2=CC=CC=C2)CCC2=CC=NC=C2)=C1	REAL300018605921	1	52	0.0	-75.28	413.05	11.07	-64.21
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH+]2CCCCCCCCCC2)O1	REAL300018605922	0	55	0.0	-60.61	397.78	14.78	-45.83
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH+]2CCCCCCCCCC2)C=C1	REAL300018605923	0	62	0.0	-64.31	446.47	15.77	-48.54
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCCCCCCCCC3)O2)C=C1	REAL300018605924	0	55	0.0	-74.40	391.68	13.42	-60.98
O=C([O-])C1=CC=C(C2=CC=C(C[NH+]3CCCCCCCCCC3)O2)C=C1	REAL300018605925	0	55	0.0	-74.40	391.68	13.42	-60.98
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH+]1CCCCCCCCCC1	REAL300018605926	0	55	0.0	-55.97	393.83	13.38	-42.59
CC1=CC(C[NH+]2CCCCCCCCCC2)=CC(C)=C1OCC(=O)[O-]	REAL300018605927	0	58	0.0	-76.86	408.28	13.63	-63.23
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH+]1CCCCCCCCCC1	REAL300018605928	0	57	0.0	-63.64	385.95	10.81	-52.83
O=C([O-])COC1=CC=C(C[NH+]2CCCCCCCCCC2)C=C1	REAL300018605929	0	52	0.0	-71.61	371.57	12.47	-59.14
O=C([O-])COC1=CC=C(C[NH+]2CCCCCCCCCC2)C=C1	REAL300018605930	0	52	0.0	-71.61	371.57	12.47	-59.14
CC(OC1=CC=C(C[NH+]2CCCCCCCCCC2)C=C1)C(=O)[O-]	REAL300018605931	0	55	0.0	-72.38	389.27	13.06	-59.32
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH+]2CCCCCCCCCC2)C=C1	REAL300018605932	0	55	0.0	-69.32	391.88	11.89	-57.43
O=C([O-])C=CC1=CC=C(C[NH+]2CCCCCCCCCC2)O1	REAL300018605933	0	49	0.0	-73.15	349.01	9.66	-63.49
O=C([O-])C1=CC=C(C[NH+]2CCCCCCCCCC2)C=C1Cl	REAL300018605934	0	48	0.0	-69.45	339.94	11.66	-57.79
O=C([O-])C1=CC=C(C[NH+]2CCCCCCCCCC2)C(C(F)(F)F)=C1	REAL300018605935	0	51	0.0	-64.52	366.57	12.93	-51.59
O=C([O-])C1=CC=C(C[NH+]2CCCCCCCCCC2)C=C1Br	REAL300018605936	0	48	0.0	-68.11	343.67	11.74	-56.37
CCC1=C(C(=O)[O-])C=C(C[NH+]2CCCCCCCCCC2)O1	REAL300018605937	0	51	0.0	-62.88	361.44	11.87	-51.01
O=C([O-])CN1C=C(C[NH+]2CCCCCCCCCC2)C(C2=CC=CC=C2)=N1	REAL300018605938	0	58	0.0	-65.68	416.98	13.43	-52.25
O=C([O-])CCC1=CC=C(C[NH+]2CCCCCCCCCC2)O1	REAL300018605939	0	51	0.0	-65.78	363.70	11.99	-53.79
O=C([O-])C1=CC(C[NH+]2CCCCCCCCCC2)=CC=C1F	REAL300018605940	0	48	0.0	-70.62	331.98	11.28	-59.34
O=C([O-])C1=CC2=C(SC(C[NH+]3CCCCCCCCCC3)=C2)S1	REAL300018605941	0	48	0.0	-74.22	369.64	12.93	-61.29
O=C([O-])C1=C2N=CC(C[NH+]3CCCCCCCCCC3)=CN2N=C1	REAL300018605942	0	50	0.0	-91.96	364.06	11.12	-80.84
CC(OC1=CC=C(Cl)C=C1C[NH+]1CCCCCCCCCC1)C(=O)[O-]	REAL300018605943	0	55	0.0	-44.63	400.83	13.71	-30.92
O=C([O-])C1=CC(F)=C(C[NH+]2CCCCCCCCCC2)C(F)=C1	REAL300018605944	0	48	0.0	-57.85	349.29	12.19	-45.66
O=C([O-])C1=CN2C(C[NH+]3CCCCCCCCCC3)=CN=C2C=C1	REAL300018605945	0	51	0.0	-55.27	365.86	12.15	-43.12
CC1=CC(C(=O)[O-])=NC=C1C[NH+]1CCCCCCCCCC1	REAL300018605946	0	50	0.0	-75.99	351.72	11.04	-64.95
O=C([O-])C1=CN=C2C(C[NH+]3CCCCCCCCCC3)=CC=CN12	REAL300018605947	0	51	0.0	-76.89	367.32	11.95	-64.94
O=C([O-])C1=CC=CC(C[NH+]2CCCCCCCCCC2)=C1Br	REAL300018605948	0	48	0.0	-66.10	346.41	12.35	-53.75
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH+]3CCCCCCCCCC3)=N2)C1	REAL300018605949	0	55	0.0	-63.32	385.59	11.68	-51.64
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH+]2CCCCCCCCCC2)C1	REAL300018605950	0	55	0.0	-74.03	386.21	12.01	-62.02
O=C([O-])C1=CC(C[NH+]2CCCCCCCCCC2)=CC(C(F)(F)F)=C1	REAL300018605951	0	51	0.0	-62.47	379.24	13.21	-49.26
O=C([O-])C1=CC=C(O)C(C[NH+]2CCCCCCCCCC2)=C1	REAL300018605952	0	49	0.0	-64.71	346.85	9.27	-55.44
O=C([O-])C1=CC(Br)=CC(C[NH+]2CCCCCCCCCC2)=C1	REAL300018605953	0	48	0.0	-64.87	361.49	12.81	-52.06
O=C([O-])C1=CC=CC=C1C1=CC=C(C[N@@H+]2CCCC3(CCC3)C2)O1	REAL300018605954	0	47	0.0	-58.06	358.29	13.07	-44.99
O=C([O-])C1=CC=CC=C1C1=CC=C(C[N@H+]2CCCC3(CCC3)C2)O1	REAL300018605954	1	47	0.0	-57.44	359.30	13.13	-44.31
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[N@@H+]2CCCC3(CCC3)C2)C=C1	REAL300018605955	0	54	0.0	-64.27	412.21	13.94	-50.33
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[N@H+]2CCCC3(CCC3)C2)C=C1	REAL300018605955	1	54	0.0	-65.76	412.22	13.96	-51.80
O=C([O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCCC4(CCC4)C3)O2)C=C1	REAL300018605956	0	47	0.0	-74.93	361.99	12.40	-62.53
O=C([O-])C1=CC=C(C2=CC=C(C[N@H+]3CCCC4(CCC4)C3)O2)C=C1	REAL300018605956	1	47	0.0	-74.47	362.86	12.55	-61.92
O=C([O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCCC4(CCC4)C3)O2)C=C1	REAL300018605957	0	47	0.0	-74.93	361.99	12.40	-62.53
O=C([O-])C1=CC=C(C2=CC=C(C[N@H+]3CCCC4(CCC4)C3)O2)C=C1	REAL300018605957	1	47	0.0	-74.47	362.86	12.55	-61.92
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[N@@H+]1CCCC2(CCC2)C1	REAL300018605958	0	47	0.0	-52.01	358.40	11.76	-40.25
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[N@H+]1CCCC2(CCC2)C1	REAL300018605958	1	47	0.0	-52.63	359.25	11.72	-40.91
CC1=CC(C[N@@H+]2CCCC3(CCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018605959	0	50	0.0	-74.24	374.24	12.23	-62.01
CC1=CC(C[N@H+]2CCCC3(CCC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018605959	1	50	0.0	-73.96	376.43	12.37	-61.59
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+]1CCCC2(CCC2)C1	REAL300018605960	0	49	0.0	-64.48	361.15	10.06	-54.42
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+]1CCCC2(CCC2)C1	REAL300018605960	1	49	0.0	-64.46	361.48	10.08	-54.38
CC(OC1=CC=C(C[N@@H+]2CCCC3(CCC3)C2)C=C1)C(=O)[O-]	REAL300018605961	0	47	0.0	-71.29	350.35	11.38	-59.91
CC(OC1=CC=C(C[N@H+]2CCCC3(CCC3)C2)C=C1)C(=O)[O-]	REAL300018605961	1	47	0.0	-70.55	350.16	11.43	-59.12
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+]2CCCC3(CCC3)C2)C=C1	REAL300018605962	0	47	0.0	-70.63	353.31	10.19	-60.44
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+]2CCCC3(CCC3)C2)C=C1	REAL300018605962	1	47	0.0	-71.70	360.95	10.60	-61.10
O=C([O-])C1=CC=C(C[N@@H+]2CCCC3(CCC3)C2)C(C(F)(F)F)=C1	REAL300018605963	0	43	0.0	-64.13	329.56	11.37	-52.76
O=C([O-])C1=CC=C(C[N@H+]2CCCC3(CCC3)C2)C(C(F)(F)F)=C1	REAL300018605963	1	43	0.0	-62.60	329.97	11.49	-51.11
CC1=CC(Br)=C(OCC(=O)[O-])C(C[N@@H+]2CCCC3(CCC3)C2)=C1	REAL300018605964	0	47	0.0	-51.51	369.74	12.27	-39.24
CC1=CC(Br)=C(OCC(=O)[O-])C(C[N@H+]2CCCC3(CCC3)C2)=C1	REAL300018605964	1	47	0.0	-53.78	375.28	12.25	-41.53
O=C([O-])C1=CC=C(C[N@@H+]2CCCC3(CCC3)C2)C=C1Br	REAL300018605965	0	40	0.0	-69.76	317.47	11.05	-58.71
O=C([O-])C1=CC=C(C[N@H+]2CCCC3(CCC3)C2)C=C1Br	REAL300018605965	1	40	0.0	-69.71	317.52	11.05	-58.66
O=C([O-])CN1C=C(C[N@@H+]2CCCC3(CCC3)C2)C(C2=CC=CC=C2)=N1	REAL300018605966	0	50	0.0	-63.28	382.24	12.17	-51.11
O=C([O-])CN1C=C(C[N@H+]2CCCC3(CCC3)C2)C(C2=CC=CC=C2)=N1	REAL300018605966	1	50	0.0	-65.64	378.81	12.04	-53.60
O=C([O-])C1=CC2=C(SC(C[N@@H+]3CCCC4(CCC4)C3)=C2)S1	REAL300018605967	0	40	0.0	-72.90	330.12	11.23	-61.67
O=C([O-])C1=CC2=C(SC(C[N@H+]3CCCC4(CCC4)C3)=C2)S1	REAL300018605967	1	40	0.0	-73.24	329.74	11.24	-62.00
O=C([O-])C1=C2N=CC(C[N@@H+]3CCCC4(CCC4)C3)=CN2N=C1	REAL300018605968	0	42	0.0	-90.02	324.78	9.48	-80.54
O=C([O-])C1=C2N=CC(C[N@H+]3CCCC4(CCC4)C3)=CN2N=C1	REAL300018605968	1	42	0.0	-89.95	323.38	9.33	-80.62
CC(OC1=CC=C(Cl)C=C1C[N@@H+]1CCCC2(CCC2)C1)C(=O)[O-]	REAL300018605969	0	47	0.0	-43.40	357.58	11.90	-31.50
CC(OC1=CC=C(Cl)C=C1C[N@H+]1CCCC2(CCC2)C1)C(=O)[O-]	REAL300018605969	1	47	0.0	-45.84	366.56	12.02	-33.82
O=C([O-])C1=CN2C(C[N@@H+]3CCCC4(CCC4)C3)=CN=C2C(Br)=C1	REAL300018605970	1	43	0.0	-57.99	350.50	11.48	-46.51
O=C([O-])C1=CN2C(C[N@H+]3CCCC4(CCC4)C3)=CN=C2C(Br)=C1	REAL300018605970	1	43	0.0	-57.06	345.55	11.37	-45.69
O=C([O-])C1=CC=CC(C[N@@H+]2CCCC3(CCC3)C2)=C1Br	REAL300018605971	0	40	0.0	-61.14	313.85	10.97	-50.17
O=C([O-])C1=CC=CC(C[N@H+]2CCCC3(CCC3)C2)=C1Br	REAL300018605971	1	40	0.0	-60.80	313.85	10.98	-49.82
O=C([O-])[C@H]1C[C@H](N2C=CC(C[N@@H+]3CCCC4(CCC4)C3)=N2)C1	REAL300018605972	0	47	0.0	-61.79	349.15	10.11	-51.68
O=C([O-])[C@H]1C[C@H](N2C=CC(C[N@H+]3CCCC4(CCC4)C3)=N2)C1	REAL300018605972	1	47	0.0	-61.46	349.00	10.35	-51.11
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[N@@H+]2CCCC3(CCC3)C2)C1	REAL300018605973	0	47	0.0	-72.90	349.66	10.40	-62.50
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[N@H+]2CCCC3(CCC3)C2)C1	REAL300018605973	1	47	0.0	-71.90	340.67	10.14	-61.76
O=C([O-])C1=CC(C[N@@H+]2CCCC3(CCC3)C2)=CC(C(F)(F)F)=C1	REAL300018605974	0	43	0.0	-63.27	339.96	11.54	-51.73
O=C([O-])C1=CC(C[N@H+]2CCCC3(CCC3)C2)=CC(C(F)(F)F)=C1	REAL300018605974	1	43	0.0	-63.30	340.32	11.55	-51.75
O=C([O-])C1=CC(Br)=CN2C(C[N@@H+]3CCCC4(CCC4)C3)=CN=C12	REAL300018605975	1	43	0.0	-79.18	350.62	11.70	-67.48
O=C([O-])C1=CC(Br)=CN2C(C[N@H+]3CCCC4(CCC4)C3)=CN=C12	REAL300018605975	1	43	0.0	-79.05	345.66	11.60	-67.45
O=C([O-])C1=CC(Br)=CC(C[N@@H+]2CCCC3(CCC3)C2)=C1	REAL300018605976	0	40	0.0	-62.37	322.53	11.16	-51.21
O=C([O-])C1=CC(Br)=CC(C[N@H+]2CCCC3(CCC3)C2)=C1	REAL300018605976	1	40	0.0	-61.62	322.58	11.15	-50.47
C[C@H]([NH2+]CC1=CC=C(C(=O)[O-])C=C1)C1=CC=C(Br)C=C1	REAL300018605977	0	36	0.0	-82.79	316.65	10.08	-72.71
CC1=C(C(=O)[O-])C=C(C[NH2+][C@@H](C)C2=CC=C(Br)C=C2)O1	REAL300018605978	0	36	0.0	-70.88	317.71	9.04	-61.84
C[C@H]([NH2+]CC1=C(C(=O)[O-])OC=C1)C1=CC=C(Br)C=C1	REAL300018605979	0	33	0.0	-46.10	294.43	8.33	-37.77
C[C@H]([NH2+]C1CCN(CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300018605980	0	41	0.0	-67.18	328.64	7.26	-59.92
C[C@H]([NH2+]CC1=CC(C(=O)[O-])=CO1)C1=CC=C(Br)C=C1	REAL300018605981	0	33	0.0	-71.37	299.73	8.30	-63.07
C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300018605982	0	39	0.0	-57.65	308.63	9.57	-48.08
C[C@H]([NH2+]CC1=CN(CC(=O)[O-])N=N1)C1=CC=C(Br)C=C1	REAL300018605983	1	35	0.0	-70.50	313.40	6.88	-63.62
C[C@H]([NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=C(Br)C=C1	REAL300018605984	0	33	0.0	-71.98	299.46	8.56	-63.42
C[C@H]([NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=C(Br)C=C1	REAL300018605985	0	33	0.0	-71.98	299.46	8.56	-63.42
C[C@H]([NH2+]CCC(C)(C)C(=O)[O-])C1=CC=C(Br)C=C1	REAL300018605986	0	38	0.0	-64.16	312.20	8.85	-55.31
C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300018605987	0	39	0.0	-57.65	308.63	9.57	-48.08
C[C@H]([NH2+]CC1=CC=CC(C(=O)[O-])=C1)C1=CC=C(Br)C=C1	REAL300018605988	0	36	0.0	-74.09	316.65	10.07	-64.02
C[C@H]([NH2+]CC1=CC(C(=O)[O-])=NN1)C1=CC=C(Br)C=C1	REAL300018605989	0	33	0.0	-80.73	298.07	6.48	-74.25
CC1=CC(C[NH2+][C@@H](C)C2=CC=C(Br)C=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018605990	0	46	0.0	-84.91	389.53	11.79	-73.12
C[C@H](NC1CC[NH+](CCCC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300018605991	1	47	0.0	-56.89	375.95	9.91	-46.98
C[C@H]([NH2+]C1CCN(CCCC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300018605991	1	47	0.0	-72.33	371.93	8.63	-63.70
C[C@H]([NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(Br)C=C1	REAL300018605992	0	40	0.0	-80.89	347.71	10.35	-70.54
C[C@H]([NH2+]CC1=CC=C(OCC(=O)[O-])C=C1)C1=CC=C(Br)C=C1	REAL300018605993	0	40	0.0	-80.89	347.71	10.35	-70.54
C[C@H]([NH2+]CC1=CSC(C(=O)[O-])=C1)C1=CC=C(Br)C=C1	REAL300018605994	0	33	0.0	-72.49	307.19	9.13	-63.36
C[C@H]([NH2+]C1CCC(CC(=O)[O-])CC1)C1=CC=C(Br)C=C1	REAL300018605995	0	42	0.0	-63.65	327.02	10.21	-53.44
C[C@H]([NH2+]CC1=CC(C(=O)[O-])=NO1)C1=CC=C(Br)C=C1	REAL300018605996	1	32	0.0	-78.14	293.88	7.59	-70.55
C[C@H]([NH2+]CC1=CC=CC(C(=O)[O-])=N1)C1=CC=C(Br)C=C1	REAL300018605997	0	35	0.0	-71.54	312.50	8.23	-63.31
C[C@H]([NH2+]CC1=CC(C(=O)[O-])=NO1)C1=CC=C(Br)C=C1	REAL300018605998	1	32	0.0	-78.14	293.88	7.59	-70.55
CC([NH2+][C@@H](C)C1=CC=C(Br)C=C1)C1CC1C(=O)[O-]	REAL300018605999	0	36	0.0	-49.49	291.36	8.74	-40.75
C[C@H]([NH2+]C1CC(CC(=O)[O-])C1)C1=CC=C(Br)C=C1	REAL300018606000	0	36	0.0	-63.67	300.43	8.88	-54.79
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1F	REAL300018613178	0	46	0.0	-31.51	374.99	13.02	-18.49
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613180	0	52	0.0	-31.72	396.85	13.37	-18.35
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC(C)(C)C1	REAL300018613181	0	58	0.0	-32.48	418.69	13.62	-18.86
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613182	0	56	0.0	-35.43	433.57	14.41	-21.02
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613183	1	50	0.0	-33.80	415.64	14.93	-18.87
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613184	1	46	0.0	-34.10	385.65	13.85	-20.25
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613185	0	53	0.0	-33.21	417.55	13.16	-20.05
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1F	REAL300018613186	0	46	0.0	-33.24	374.38	12.99	-20.25
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613187	0	47	0.0	-32.14	380.95	12.35	-19.79
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300018613189	0	52	0.0	-32.17	381.69	12.62	-19.55
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613190	0	55	0.0	-31.33	430.74	15.03	-16.30
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300018613191	0	49	0.0	-31.03	391.08	13.64	-17.39
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1[N+](=O)[O-]	REAL300018613192	0	49	0.0	-46.73	403.17	13.02	-33.71
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613193	0	43	0.0	-32.77	381.73	13.32	-19.45
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613194	0	47	0.0	-35.54	387.52	11.90	-23.64
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613196	0	55	0.0	-29.18	397.79	13.65	-15.53
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613197	0	41	0.0	-35.15	337.90	10.32	-24.83
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613198	0	46	0.0	-35.62	389.19	11.45	-24.17
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613199	0	48	0.0	-34.61	382.92	12.52	-22.09
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613200	0	49	0.0	-40.54	408.97	9.84	-30.70
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613201	0	46	0.0	-31.57	351.82	11.76	-19.81
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613202	0	56	0.0	-33.23	440.45	13.74	-19.49
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613203	0	50	0.0	-35.24	408.17	14.60	-20.64
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613204	0	44	0.0	-32.59	339.48	9.33	-23.26
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613205	0	54	0.0	-32.24	407.07	13.51	-18.73
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613206	0	51	0.0	-31.83	384.96	12.79	-19.04
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300018613207	1	46	0.0	-29.42	383.18	13.03	-16.39
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613208	0	45	0.0	-31.83	356.58	10.17	-21.66
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613210	0	48	0.0	-34.18	385.48	12.19	-21.99
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613211	0	54	0.0	-32.88	422.19	12.22	-20.66
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613213	0	47	0.0	-31.23	380.76	12.37	-18.86
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613215	0	47	0.0	-33.58	380.95	12.36	-21.22
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613217	0	46	0.0	-31.76	373.28	12.75	-19.01
O=C([O-])C([NH2+]CC1=CC=CC2=C1OC(F)(F)O2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613218	0	46	0.0	-40.87	389.16	11.44	-29.43
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613219	0	58	0.0	-31.98	424.36	15.12	-16.86
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613220	0	52	0.0	-34.43	418.80	13.99	-20.44
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613221	0	52	0.0	-35.83	417.69	13.97	-21.86
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613223	0	53	0.0	-36.69	407.46	10.10	-26.59
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613226	0	53	0.0	-36.37	418.61	12.22	-24.15
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613227	0	54	0.0	-33.09	434.56	11.84	-21.25
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1Cl	REAL300018613228	0	47	0.0	-36.50	393.80	12.16	-24.34
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613229	0	46	0.0	-29.11	375.32	9.12	-19.99
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613231	0	48	0.0	-33.74	380.28	12.45	-21.29
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613233	0	49	0.0	-29.42	391.13	11.53	-17.89
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613234	0	52	0.0	-29.19	411.18	12.34	-16.85
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613235	0	50	0.0	-33.18	409.01	14.58	-18.60
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613236	0	50	0.0	-31.74	402.49	14.38	-17.36
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613237	0	51	0.0	-36.95	418.75	13.63	-23.32
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613238	0	53	0.0	-30.56	420.51	13.31	-17.25
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613239	0	45	0.0	-44.82	353.79	12.26	-32.56
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613240	0	52	0.0	-33.69	426.91	13.86	-19.83
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613241	1	50	0.0	-31.60	415.63	14.93	-16.67
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C=NC2=NN1	REAL300018613242	0	48	0.0	-40.07	391.33	10.84	-29.23
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300018613243	0	44	0.0	-35.57	361.04	10.33	-25.24
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613247	0	53	0.0	-30.80	417.54	13.16	-17.64
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613251	0	52	0.0	-33.22	411.54	14.48	-18.74
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613252	0	55	0.0	-33.24	427.83	15.12	-18.12
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613253	0	55	0.0	-33.52	423.52	15.05	-18.47
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613254	0	46	0.0	-33.05	358.82	11.82	-21.23
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613255	1	55	0.0	-56.15	417.62	12.83	-43.32
O=C([O-])C([NH2+]C1CCN(CC2CC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613255	1	55	0.0	-32.27	412.14	11.25	-21.02
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613257	0	47	0.0	-35.48	383.69	10.69	-24.79
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613260	1	57	0.0	-53.96	421.60	12.61	-41.35
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C(C)S1	REAL300018613261	1	46	0.0	-30.52	377.35	12.83	-17.69
CC([NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CCCC1	REAL300018613262	0	49	0.0	-31.01	362.47	12.22	-18.79
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613263	0	49	0.0	-35.96	406.74	13.12	-22.84
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613264	1	57	0.0	-57.35	417.15	12.09	-45.26
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1SC	REAL300018613265	0	51	0.0	-35.43	417.18	12.66	-22.77
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613267	0	49	0.0	-31.71	377.54	12.63	-19.08
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613269	0	46	0.0	-28.27	360.27	10.03	-18.24
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613270	0	55	0.0	-35.03	421.64	14.85	-20.18
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613272	0	49	0.0	-31.09	370.82	12.27	-18.82
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1F	REAL300018613276	0	51	0.0	-32.72	408.56	11.83	-20.89
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CC=C2O1	REAL300018613278	0	54	0.0	-33.36	425.06	13.54	-19.82
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613281	0	46	0.0	-35.14	374.45	12.59	-22.55
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613283	0	45	0.0	-33.16	356.23	11.04	-22.12
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613284	0	52	0.0	-33.26	405.74	13.09	-20.17
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613287	0	49	0.0	-28.16	380.55	10.80	-17.36
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613288	0	56	0.0	-32.92	441.23	14.04	-18.88
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613289	0	54	0.0	-36.08	434.58	11.84	-24.24
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613290	0	52	0.0	-29.28	391.14	11.78	-17.50
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613291	0	44	0.0	-35.22	338.11	9.31	-25.91
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300018613292	0	55	0.0	-32.89	404.57	13.55	-19.34
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613293	0	54	0.0	-29.95	410.46	13.18	-16.77
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613294	0	50	0.0	-31.65	393.77	14.22	-17.43
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613295	0	52	0.0	-34.49	398.96	14.06	-20.43
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613296	0	52	0.0	-34.53	404.41	14.28	-20.25
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C3=CC=CC=C3)C=C1)OCO2	REAL300018613297	0	50	0.0	-32.29	403.73	10.36	-21.93
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613299	0	56	0.0	-30.44	440.61	14.01	-16.43
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613300	0	49	0.0	-32.47	396.10	14.51	-17.96
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613301	0	50	0.0	-35.66	383.02	10.90	-24.76
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613302	0	47	0.0	-34.18	370.17	12.39	-21.79
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613303	0	52	0.0	-31.23	380.45	13.10	-18.13
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=C2O1	REAL300018613304	0	54	0.0	-28.09	426.82	13.56	-14.53
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613306	1	42	0.0	-32.96	358.09	11.09	-21.87
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613307	0	42	0.0	-33.80	356.19	11.04	-22.76
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613309	0	49	0.0	-38.67	403.76	14.09	-24.58
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300018613310	0	47	0.0	-35.41	382.54	10.93	-24.48
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613311	0	50	0.0	-32.68	406.00	13.48	-19.20
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613315	0	48	0.0	-36.05	389.27	12.80	-23.25
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613317	0	51	0.0	-45.29	402.43	8.16	-37.13
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613320	0	47	0.0	-33.74	385.49	11.71	-22.03
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613321	0	47	0.0	-34.72	370.69	10.65	-24.07
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300018613322	0	53	0.0	-34.60	419.89	12.27	-22.33
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(Cl)=C1	REAL300018613325	0	46	0.0	-31.40	380.16	13.36	-18.04
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613326	0	45	0.0	-39.74	390.24	13.39	-26.35
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613327	0	46	0.0	-36.15	387.83	13.63	-22.52
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613329	0	48	0.0	-46.75	401.81	10.94	-35.81
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613330	0	45	0.0	-39.19	389.62	13.44	-25.75
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CCO1	REAL300018613331	0	50	0.0	-32.46	381.57	10.93	-21.53
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CCO1	REAL300018613332	0	53	0.0	-32.14	397.79	11.43	-20.71
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613333	0	53	0.0	-31.35	412.27	14.84	-16.51
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613334	0	62	0.0	-29.24	438.80	15.52	-13.72
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613335	0	57	0.0	-32.15	419.27	13.62	-18.53
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613336	0	46	0.0	-31.33	349.18	12.06	-19.27
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613337	0	52	0.0	-34.34	406.99	14.32	-20.02
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613339	0	56	0.0	-30.98	429.98	13.49	-17.49
CC(C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CCCCC1	REAL300018613340	0	55	0.0	-32.71	405.43	13.77	-18.94
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613341	0	48	0.0	-40.64	403.83	7.30	-33.34
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613343	0	50	0.0	-35.03	400.84	14.30	-20.73
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300018613345	0	53	0.0	-31.27	410.74	13.03	-18.24
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613346	0	50	0.0	-31.86	397.85	12.34	-19.52
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613347	0	53	0.0	-35.17	415.07	14.68	-20.49
COCC1=CSC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613349	1	47	0.0	-32.78	393.79	11.15	-21.63
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)S1	REAL300018613350	1	49	0.0	-29.27	404.69	13.81	-15.46
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=CC=C1[N+](=O)[O-]	REAL300018613354	0	48	0.0	-34.69	387.21	13.46	-21.23
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1Cl	REAL300018613355	0	47	0.0	-34.69	393.80	12.16	-22.53
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CS1	REAL300018613356	1	43	0.0	-30.64	359.51	12.04	-18.60
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613357	1	46	0.0	-35.28	375.61	12.64	-22.64
CC1CSCC1[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613360	0	44	0.0	-30.67	341.76	11.16	-19.51
CCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613363	0	49	0.0	-31.26	391.15	13.75	-17.51
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613365	0	47	0.0	-34.06	387.96	13.89	-20.17
O=C([O-])C([NH2+]C1CCC2(CC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613367	0	50	0.0	-32.17	379.13	13.01	-19.16
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613369	0	46	0.0	-33.51	393.15	13.28	-20.23
O=C([O-])C([NH2+]C1C[C@@H]2CC[C@@H](C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613370	0	50	0.0	-28.34	351.62	13.21	-15.13
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CN=C1Cl	REAL300018613373	0	43	0.0	-35.67	364.61	11.19	-24.48
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613374	0	43	0.0	-36.86	369.34	9.65	-27.21
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613376	0	47	0.0	-37.01	386.65	12.33	-24.68
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613377	0	47	0.0	-34.54	387.89	12.36	-22.18
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613379	0	46	0.0	-30.09	378.44	13.39	-16.70
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613380	1	45	0.0	-36.70	381.71	12.09	-24.61
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613382	0	55	0.0	-35.05	433.48	13.04	-22.01
C=CCCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613383	0	55	0.0	-32.78	423.82	14.33	-18.45
C=CCCCCC(C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613384	0	52	0.0	-32.20	402.32	13.55	-18.65
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613385	0	46	0.0	-33.88	387.71	13.51	-20.37
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613386	0	50	0.0	-33.53	404.66	12.08	-21.45
COCC(CC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613387	0	55	0.0	-26.01	403.22	11.75	-14.26
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613388	0	48	0.0	-37.23	396.99	12.78	-24.45
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC2=CC=CN=C12	REAL300018613389	0	51	0.0	-35.05	410.83	13.53	-21.52
CC(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300018613390	0	55	0.0	-28.69	397.10	13.65	-15.04
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C	REAL300018613392	0	56	0.0	-33.18	442.50	14.12	-19.06
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613394	0	53	0.0	-28.78	421.48	13.92	-14.86
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300018613395	0	52	0.0	-28.77	380.25	13.17	-15.60
NC1=C(F)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613396	0	45	0.0	-30.77	365.54	10.48	-20.29
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613397	0	46	0.0	-36.19	382.44	13.25	-22.94
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613399	0	50	0.0	-30.11	392.49	14.14	-15.97
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=NN1C	REAL300018613403	0	46	0.0	-32.07	368.94	10.61	-21.46
O=C([O-])C([NH2+]C1CC2CCC(C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613404	0	50	0.0	-28.51	352.11	13.20	-15.31
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC(C2=CC=CC=C2)C1	REAL300018613405	0	59	0.0	-34.07	446.41	15.77	-18.30
CC(C)(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300018613407	0	52	0.0	-32.67	383.30	12.57	-20.10
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC2=CC=CC=C21	REAL300018613409	0	53	0.0	-34.21	422.74	13.92	-20.29
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613410	0	49	0.0	-33.95	395.86	10.75	-23.20
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613411	0	50	0.0	-33.29	406.03	12.61	-20.68
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613412	0	53	0.0	-36.63	415.08	12.92	-23.71
O=C([O-])C(NC1CC[N@@H+]2CCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613414	1	52	0.0	-54.32	389.77	11.66	-42.66
O=C([O-])C(NC1CC[N@H+]2CCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613414	1	52	0.0	-55.19	391.72	11.79	-43.40
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613415	0	59	0.0	-32.70	416.93	14.19	-18.51
CC([NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C(C)C1=CC=CC=C1	REAL300018613416	0	52	0.0	-30.52	399.72	13.99	-16.53
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613417	0	51	0.0	-36.90	402.38	13.39	-23.51
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C=CC=C12	REAL300018613418	0	53	0.0	-31.83	418.92	13.84	-17.99
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613420	0	51	0.0	-36.01	399.96	12.63	-23.38
CC(C)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613421	0	52	0.0	-31.11	409.80	14.27	-16.84
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613424	0	57	0.0	-34.20	407.82	11.82	-22.38
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1C	REAL300018613425	0	49	0.0	-32.62	384.98	10.42	-22.20
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613427	0	46	0.0	-34.04	389.94	13.57	-20.47
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)NC2=CC=C1	REAL300018613430	1	50	0.0	-33.84	402.42	12.93	-20.91
CCOC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613431	0	53	0.0	-35.92	402.65	11.69	-24.23
O=C([O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613432	0	43	0.0	-32.35	378.26	12.43	-19.92
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300018613433	0	56	0.0	-31.04	432.23	13.83	-17.21
CC1=CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613435	0	47	0.0	-32.86	361.45	12.28	-20.58
O=C([O-])C([NH2+]C1CCC2(CCCC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613436	0	56	0.0	-32.37	405.44	13.82	-18.55
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613437	0	45	0.0	-35.26	377.68	11.39	-23.87
O=C([O-])C([NH2+]C1CCC2=CC=CC=C2CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613438	0	53	0.0	-31.59	399.25	14.28	-17.31
CCC1(C)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613439	0	55	0.0	-32.03	395.25	13.02	-19.01
O=C([O-])C([NH2+]C1CCCC2=CC=CC=C2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613440	0	53	0.0	-36.34	399.89	14.31	-22.03
CN1C=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C(F)F)=N1	REAL300018613441	0	46	0.0	-37.60	380.39	10.99	-26.61
CC([NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CCCCCC1	REAL300018613442	0	55	0.0	-30.12	392.32	13.51	-16.61
CCC1(CC)CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613443	0	58	0.0	-30.14	410.81	13.57	-16.57
O=C([O-])C([NH2+]CC1=CC=CC2=C1CCOC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613444	0	51	0.0	-31.06	395.02	12.28	-18.78
O=C([O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613445	0	50	0.0	-37.77	398.46	14.24	-23.53
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613446	0	52	0.0	-40.39	413.12	14.03	-26.36
NS(=O)(=O)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613447	0	48	0.0	-37.63	401.83	7.24	-30.39
CC1=CC=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)NC2=C1	REAL300018613449	1	50	0.0	-33.50	401.52	12.91	-20.59
O=C([O-])C([NH2+]CC1=C2CCCN2N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613450	0	47	0.0	-36.68	376.06	10.95	-25.73
O=C([O-])C([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613453	0	59	0.0	-34.05	437.78	15.59	-18.46
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C1	REAL300018613454	0	52	0.0	-31.70	389.44	12.99	-18.71
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1N1C=NC=N1	REAL300018613456	0	52	0.0	-37.39	418.51	15.80	-21.59
CC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613457	0	52	0.0	-32.39	379.09	12.70	-19.69
CCC1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613458	0	55	0.0	-30.16	397.76	13.31	-16.85
CC1(C)CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613459	0	55	0.0	-32.17	387.91	12.87	-19.30
CC(C)(C)C1CCCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC1	REAL300018613460	0	61	0.0	-33.66	428.68	14.14	-19.52
CC1CC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CCN1C	REAL300018613461	0	51	0.0	-31.89	380.67	9.73	-22.16
CC1CC(NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC[N@@H+]1C	REAL300018613461	1	51	0.0	-57.68	378.20	10.76	-46.92
CC1CC(NC(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC[N@H+]1C	REAL300018613461	1	51	0.0	-61.30	379.50	10.86	-50.44
CC([NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1)C1CCCO1	REAL300018613463	0	47	0.0	-27.58	357.74	10.08	-17.50
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613464	0	50	0.0	-38.63	412.64	12.86	-25.77
COCC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613465	0	50	0.0	-33.74	403.33	12.04	-21.70
CC1=CC=C(CC[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1	REAL300018613467	0	49	0.0	-35.55	391.18	13.77	-21.78
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1OC	REAL300018613468	0	54	0.0	-33.15	419.74	12.05	-21.10
O=C([O-])C([NH2+]CC1=CC=CC=C1C1CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613469	0	50	0.0	-30.13	388.81	14.23	-15.90
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613470	0	46	0.0	-35.05	382.96	13.23	-21.82
CC1=CC(CC[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC(C)=C1	REAL300018613471	0	52	0.0	-35.98	413.91	14.45	-21.53
CC(CCC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613472	0	49	0.0	-33.36	396.39	13.39	-19.97
CC(CC1=CN(C)N=C1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613474	0	49	0.0	-41.31	387.56	11.39	-29.92
CN1N=CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CN=C21	REAL300018613475	0	48	0.0	-40.03	393.89	11.48	-28.55
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613476	0	52	0.0	-34.92	413.52	14.47	-20.45
COCC(CC1CCOCC1)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613477	0	57	0.0	-28.74	426.29	10.65	-18.09
CN1C=C(CCC[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300018613478	0	49	0.0	-38.62	394.10	11.65	-26.97
O=C([O-])C([NH2+]CC1=CC=C(F)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613481	0	42	0.0	-35.79	350.85	10.51	-25.28
O=C([O-])C([NH2+]C1CCC2COCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613482	0	54	0.0	-30.84	394.04	11.86	-18.98
CC1(C)CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C2)CO1	REAL300018613483	0	54	0.0	-37.51	408.65	11.71	-25.80
CC1CC2(CC([NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C2)CO1	REAL300018613484	0	51	0.0	-36.89	385.93	10.93	-25.96
O=C([O-])C([NH2+]C1CCOC2=CC=CC=C2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613485	0	51	0.0	-34.61	394.19	12.59	-22.02
O=C([O-])C([NH2+]C1CCCC2=C(C=CS2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613486	0	50	0.0	-36.74	392.52	13.50	-23.24
CN1C=NC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=C21	REAL300018613487	0	49	0.0	-34.02	386.06	13.53	-20.49
COC1=CC=C(C)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613488	0	50	0.0	-29.83	390.56	12.15	-17.68
CCC1=CC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613491	0	49	0.0	-28.97	378.21	13.47	-15.50
CC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613492	0	46	0.0	-34.85	377.39	13.08	-21.77
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1C	REAL300018613493	0	52	0.0	-29.61	395.81	13.96	-15.65
CCN1CCC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=CC=C21	REAL300018613496	0	55	0.0	-32.60	428.89	12.97	-19.63
CC1(C)CC2(CO1)CCC([NH2+]C(C(=O)[O-])C1=CC=C(C3=CC=CC=C3)C=C1)CC2	REAL300018613497	0	60	0.0	-33.57	435.56	12.61	-20.96
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1Cl	REAL300018613498	0	47	0.0	-36.37	403.49	13.78	-22.59
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=C1C1CC1	REAL300018613499	0	53	0.0	-31.06	414.68	14.91	-16.15
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=CC=N1	REAL300018613500	0	49	0.0	-32.86	397.21	9.95	-22.91
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1C1CC1	REAL300018613501	0	53	0.0	-31.02	416.62	14.96	-16.06
O=C([O-])C([NH2+]C1CC(C2CCC2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613502	0	50	0.0	-32.71	379.31	13.06	-19.65
CC1OC2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C=C2C1C	REAL300018613505	0	54	0.0	-33.26	421.06	13.39	-19.87
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1OC(F)F	REAL300018613506	0	50	0.0	-31.16	407.60	12.64	-18.52
CC(C)C1=CC=C(O)C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613507	0	53	0.0	-33.43	416.16	11.62	-21.81
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)NN=C1C(F)(F)F	REAL300018613508	0	46	0.0	-34.96	385.10	10.24	-24.72
O=C([O-])C([NH2+]C1CCC2(CCC2)CC1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613509	0	53	0.0	-32.62	392.19	13.36	-19.26
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1O	REAL300018613510	0	47	0.0	-32.25	380.68	10.25	-22.00
O=C([O-])C([NH2+]CC1=CC=C2CCOC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613513	0	48	0.0	-35.64	384.12	12.16	-23.48
O=C([O-])C([NH2+]CC1=CC=C2COCCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613515	0	51	0.0	-33.05	403.29	12.43	-20.62
O=C([O-])C([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613516	0	51	0.0	-36.79	412.55	12.16	-24.63
CSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613517	0	47	0.0	-30.55	387.86	13.30	-17.25
O=C([O-])C([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613518	0	50	0.0	-35.64	402.18	14.34	-21.30
CC1(C)C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)CC21	REAL300018613519	0	50	0.0	-29.61	374.87	12.86	-16.75
O=C([O-])C([NH2+]CC1=CC=C(CC2CC2)S1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613521	1	50	0.0	-32.29	414.78	14.59	-17.70
O=C([O-])C([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613522	0	51	0.0	-32.95	408.80	13.28	-19.67
O=C([O-])C([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613523	0	57	0.0	-30.82	443.22	16.34	-14.48
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613526	0	49	0.0	-39.88	406.99	14.20	-25.68
CC(C)(C)C1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613530	0	54	0.0	-34.04	420.98	12.84	-21.20
O=C([O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613536	0	46	0.0	-31.08	386.85	13.24	-17.84
O=C([O-])C([NH2+]CC1=CC=CC2=C1COCC2)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613537	0	51	0.0	-31.20	394.97	12.31	-18.89
CCOC1=CC=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613538	0	50	0.0	-29.51	416.30	13.15	-16.36
O=C([O-])C([NH2+]CC1=CN(C2CCCCC2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613541	0	56	0.0	-35.27	434.23	13.40	-21.87
O=C([O-])C([NH2+]C1CC2CCCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613542	0	53	0.0	-31.75	393.14	13.51	-18.24
COC1=CC(C)=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=N1	REAL300018613543	0	49	0.0	-33.65	390.54	9.63	-24.02
COC1=CC=CC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C2)=C1	REAL300018613545	0	54	0.0	-36.35	421.77	13.35	-23.00
CC1=NOC(C2CC([NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)C2)=N1	REAL300018613546	0	48	0.0	-38.66	381.90	9.56	-29.10
O=C([O-])C([NH2+]C1CC(C2CCOCC2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613547	0	54	0.0	-34.92	406.24	11.90	-23.02
O=C([O-])C([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613549	0	50	0.0	-39.59	405.38	12.27	-27.32
O=C([O-])C([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613550	0	56	0.0	-31.15	439.38	15.83	-15.32
COC1=CC=C(CC(C)[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C)=C1	REAL300018613551	0	56	0.0	-38.38	429.80	13.42	-24.96
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C(C(F)(F)F)=CO1	REAL300018613553	0	46	0.0	-27.14	388.93	12.12	-15.02
CC(F)(F)C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)=C1	REAL300018613554	0	49	0.0	-31.98	402.79	13.87	-18.11
O=C([O-])C([NH2+]C1CC2CCCCCC2C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613555	0	56	0.0	-31.31	400.13	13.83	-17.48
CC1CCC([NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)CC2=CC=CC=C21	REAL300018613556	0	56	0.0	-36.26	411.03	14.61	-21.65
O=C([O-])C([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613557	0	50	0.0	-33.09	413.84	14.74	-18.35
O=C([O-])C([NH2+]CC1=CC=C2CCOCC2=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613558	0	51	0.0	-32.78	401.36	12.37	-20.41
O=C([O-])C([NH2+]CC=CC1=CC=NC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613560	0	46	0.0	-37.70	375.65	11.87	-25.83
O=C([O-])C([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613562	0	48	0.0	-35.74	389.27	12.80	-22.94
CC1=CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=C(C4=CC=CC=C4)C=C3)=C2O1	REAL300018613563	1	49	0.0	-29.15	398.80	13.49	-15.66
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=C(C3=CC=CC=C3)C=C2)C=C1F	REAL300018613564	0	53	0.0	-38.44	425.11	13.27	-25.17
O=C([O-])C([NH2+]CC1=CC=NN1CC(F)F)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613566	0	46	0.0	-35.21	383.52	11.03	-24.18
O=C([O-])C([NH2+]C1CC2CCCC(C2)C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613572	0	53	0.0	-33.17	382.48	13.10	-20.07
O=C([O-])C([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613574	0	46	0.0	-31.06	382.03	12.71	-18.35
O=C([O-])C([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613575	0	46	0.0	-30.77	393.65	13.18	-17.59
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613576	0	47	0.0	-32.97	379.31	13.61	-19.36
O=C([O-])C([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613578	0	59	0.0	-31.34	451.43	16.16	-15.18
CC1=NN(C2CCC2)C=C1C[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613579	0	53	0.0	-34.40	417.29	12.71	-21.69
COC1=CC=CC=C1C=CC[NH2+]C(C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613580	0	51	0.0	-33.04	407.06	12.93	-20.11
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=CC=C(C2=CC=CC=C2)C=C1	REAL300018613581	0	51	0.0	-36.75	417.45	12.66	-24.09
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CC1(C(=O)[O-])CC([NH2+]C2CCCOC3=CC=C(Br)C=C32)C1	REAL300018613632	0	41	0.0	-52.14	321.49	8.87	-43.27
CN1C=C(C[NH2+]C2CCCOC3=CC=C(Br)C=C32)C(C(=O)[O-])=N1	REAL300018613633	0	41	0.0	-43.76	342.06	8.24	-35.52
CCC1=C(C(=O)[O-])C=C(C[NH2+]C2CCCOC3=CC=C(Br)C=C32)O1	REAL300018613634	1	44	0.0	-66.52	364.65	10.16	-56.36
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C1CCCOC2=CC=C(Br)C=C21	REAL300018613635	0	52	0.0	-65.62	394.41	11.33	-54.29
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O=C([O-])CCC1CC([NH2+]C2CCCOC3=CC=C(Br)C=C32)C1	REAL300018613640	0	44	0.0	-64.59	350.84	10.12	-54.47
O=C([O-])C1=CC=C(C[NH2+]C2CCCOC3=CC=C(Br)C=C32)C=N1	REAL300018613641	0	40	0.0	-77.59	337.82	8.60	-68.99
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C1CCCOC2=CC=C(Br)C=C21	REAL300018613642	0	43	0.0	-77.67	353.08	9.23	-68.44
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C2CCCOC3=CC=C(Br)C=C32)C1	REAL300018613643	0	44	0.0	-67.02	346.70	10.04	-56.98
O=C([O-])C1=CC=C(O)C(C[NH2+]C2CCCOC3=CC=C(Br)C=C32)=C1	REAL300018613644	0	42	0.0	-59.71	350.67	7.69	-52.02
CC(C)(CC[NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(F)(F)F)C(=O)[O-]	REAL300018613645	0	48	0.0	-59.27	388.30	12.18	-47.09
CC([NH2+]C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1C(F)(F)F)C1CC1C(=O)[O-]	REAL300018613646	0	46	0.0	-59.35	382.56	12.47	-46.88
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CC1(C(=O)[O-])CC([NH2+]C(C2=CC=C(Cl)C=C2)C2=CC=CC=C2C(F)(F)F)C1	REAL300018613648	0	46	0.0	-54.88	367.98	12.30	-42.58
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CC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)O1	REAL300018613650	0	53	0.0	-72.56	412.51	11.30	-61.26
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O=C([O-])C1=COC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300018613653	0	50	0.0	-73.10	394.52	10.57	-62.53
O=C([O-])C1CCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)CC1	REAL300018613654	0	56	0.0	-69.41	410.63	11.71	-57.70
O=C([O-])CN1C=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)N=N1	REAL300018613655	1	52	0.0	-71.47	408.20	9.16	-62.31
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)O1	REAL300018613656	0	50	0.0	-73.30	394.26	10.83	-62.47
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)O1	REAL300018613657	0	50	0.0	-73.30	394.26	10.83	-62.47
CC(C)(CC[NH2+]CC1=CC=CC=C1COC1CCCCC1)C(=O)[O-]	REAL300018613658	0	55	0.0	-64.97	406.37	11.11	-53.86
O=C([O-])C1CCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)CC1	REAL300018613659	0	56	0.0	-69.41	410.63	11.71	-57.70
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300018613660	0	53	0.0	-76.03	411.51	12.32	-63.71
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O=C([O-])CCC[NH+]1CCC(NCC2=CC=CC=C2COC2CCCCC2)CC1	REAL300018613662	1	64	0.0	-57.07	467.45	11.87	-45.20
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CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018613663	0	62	0.0	-76.54	474.79	12.03	-64.51
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C1	REAL300018613664	0	57	0.0	-82.87	442.56	12.61	-70.26
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C1	REAL300018613665	0	57	0.0	-82.87	442.56	12.61	-70.26
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=CS1	REAL300018613666	0	50	0.0	-73.67	402.04	11.38	-62.29
O=C([O-])CC1CCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)CC1	REAL300018613667	0	59	0.0	-68.40	427.71	12.33	-56.07
O=C([O-])C1=NOC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300018613668	1	49	0.0	-80.26	388.72	9.87	-70.39
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=N1	REAL300018613669	0	52	0.0	-73.02	407.29	10.50	-62.52
O=C([O-])C1=NOC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300018613670	1	49	0.0	-80.26	388.72	9.87	-70.39
CC([NH2+]CC1=CC=CC=C1COC1CCCCC1)C1CC1C(=O)[O-]	REAL300018613671	0	53	0.0	-61.12	396.18	11.28	-49.84
O=C([O-])CC1CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613672	0	53	0.0	-62.91	398.34	11.28	-51.63
CC(OC1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C1)C(=O)[O-]	REAL300018613673	0	60	0.0	-83.67	460.43	13.20	-70.47
CC1CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)CCC1C(=O)[O-]	REAL300018613674	0	59	0.0	-70.74	420.13	11.92	-58.82
O=C([O-])C=CC1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)O1	REAL300018613675	0	54	0.0	-84.81	428.76	10.42	-74.39
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613676	0	59	0.0	-66.04	437.08	12.41	-53.63
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613677	0	56	0.0	-67.53	424.45	12.03	-55.50
CC1=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C(C(=O)[O-])O1	REAL300018613678	0	53	0.0	-76.99	413.26	11.48	-65.51
CC1=C(C(=O)[O-])OC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300018613679	0	53	0.0	-73.59	412.23	11.42	-62.17
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=C1Cl	REAL300018613680	0	53	0.0	-84.12	424.01	12.72	-71.40
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018613681	0	61	0.0	-60.57	429.65	12.63	-47.94
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018613682	0	59	0.0	-67.51	420.56	12.61	-54.90
CC1(C(=O)[O-])CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613683	0	53	0.0	-59.09	389.90	11.17	-47.92
CN1C=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C(C(=O)[O-])=N1	REAL300018613684	0	53	0.0	-55.74	411.40	10.16	-45.58
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)O1	REAL300018613685	0	56	0.0	-73.05	433.99	12.08	-60.97
O=C([O-])CCCC1CCCC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613686	0	65	0.0	-72.58	465.06	14.07	-58.51
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018613687	0	64	0.0	-74.15	463.31	13.26	-60.89
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)N=C1	REAL300018613688	0	52	0.0	-74.74	406.60	10.50	-64.24
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613689	0	60	0.0	-60.41	450.70	13.77	-46.64
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018613690	0	53	0.0	-87.08	413.32	9.99	-77.09
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)O1	REAL300018613691	0	56	0.0	-73.74	436.26	12.21	-61.53
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=CC=C1F	REAL300018613692	0	53	0.0	-81.48	416.05	12.35	-69.13
O=C([O-])CCC1CC([NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613693	0	56	0.0	-68.83	421.27	12.14	-56.69
O=C([O-])C1=C2N=CC(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)=CN2N=C1	REAL300018613694	0	55	0.0	-103.86	434.31	11.28	-92.58
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C=N1	REAL300018613695	0	52	0.0	-87.37	407.21	10.53	-76.84
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C(F)=C1	REAL300018613696	1	53	0.0	-67.20	422.07	12.38	-54.82
O=C([O-])C1=CN2C(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)=CN=C2C=C1	REAL300018613697	0	56	0.0	-65.13	436.94	12.71	-52.42
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1=CC=CC=C1COC1CCCCC1	REAL300018613698	0	55	0.0	-87.46	422.43	11.16	-76.30
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613699	0	56	0.0	-72.48	415.13	11.96	-60.52
O=C([O-])C1=CN=C2C(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)=CC=CN12	REAL300018613700	0	56	0.0	-83.48	437.13	12.04	-71.44
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)=N2)C1	REAL300018613701	1	60	0.0	-72.78	458.39	11.92	-60.86
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC2=CC=CC=C2COC2CCCCC2)C1	REAL300018613702	0	60	0.0	-84.48	459.28	12.23	-72.25
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)=C1	REAL300018613703	0	54	0.0	-71.71	419.04	9.73	-61.98
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC=C2CCSCC2)O1	REAL300018613704	0	45	0.0	-68.16	370.05	11.88	-56.28
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CC=C2CCSCC2)C=C1	REAL300018613705	0	52	0.0	-73.50	423.81	12.72	-60.78
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC=C3CCSCC3)O2)C=C1	REAL300018613706	0	45	0.0	-86.64	373.82	11.21	-75.43
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC=C3CCSCC3)O2)C=C1	REAL300018613707	0	45	0.0	-86.64	373.82	11.21	-75.43
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC=C1CCSCC1	REAL300018613708	0	45	0.0	-57.22	368.68	10.60	-46.62
CC1=CC(C[NH2+]CC=C2CCSCC2)=CC(C)=C1OCC(=O)[O-]	REAL300018613709	0	48	0.0	-86.28	388.95	11.19	-75.09
O=C([O-])CCCN1CCC([NH2+]CC=C2CCSCC2)CC1	REAL300018613710	1	49	0.0	-73.32	369.14	7.93	-65.39
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC=C1CCSCC1	REAL300018613711	0	47	0.0	-76.04	377.13	9.07	-66.97
O=C([O-])COC1=CC=C(C[NH2+]CC=C2CCSCC2)C=C1	REAL300018613712	0	42	0.0	-82.18	344.87	9.65	-72.53
O=C([O-])COC1=CC=C(C[NH2+]CC=C2CCSCC2)C=C1	REAL300018613713	0	42	0.0	-82.18	344.87	9.65	-72.53
CC(OC1=CC=C(C[NH2+]CC=C2CCSCC2)C=C1)C(=O)[O-]	REAL300018613714	0	45	0.0	-83.28	362.75	10.24	-73.04
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC=C2CCSCC2)C=C1	REAL300018613715	0	45	0.0	-80.19	372.47	9.36	-70.83
O=C([O-])C(F)(F)C1CCCC([NH2+]CC=C2CCSCC2)C1	REAL300018613716	0	44	0.0	-67.82	339.56	9.45	-58.37
O=C([O-])C(F)(F)C1CCC([NH2+]CC=C2CCSCC2)C1	REAL300018613717	0	41	0.0	-68.36	326.87	9.08	-59.28
O=C([O-])C1=CC=C(C[NH2+]CC=C2CCSCC2)C=C1Cl	REAL300018613718	0	38	0.0	-83.65	326.40	9.75	-73.90
O=C([O-])C1=CC=C(C[NH2+]CC=C2CCSCC2)C(C(F)(F)F)=C1	REAL300018613719	0	41	0.0	-79.45	342.34	10.43	-69.02
O=C([O-])C1=CC=C(C[NH2+]CC=C2CCSCC2)C=C1Br	REAL300018613720	0	38	0.0	-82.29	330.14	9.85	-72.44
O=C([O-])CCCC1CCCC([NH2+]CC=C2CCSCC2)C1	REAL300018613721	0	50	0.0	-71.45	367.55	11.12	-60.33
O=C([O-])CN1C=C(C[NH2+]CC=C2CCSCC2)C(C2=CC=CC=C2)=N1	REAL300018613722	0	48	0.0	-73.28	393.15	10.94	-62.34
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC=C2CCSCC2)C1	REAL300018613723	0	45	0.0	-61.82	353.09	10.82	-51.00
O=C([O-])C1=CC2=C(SC(C[NH2+]CC=C3CCSCC3)=C2)S1	REAL300018613724	0	38	0.0	-85.14	342.13	10.05	-75.09
O=C([O-])C1=C2N=CC(C[NH2+]CC=C3CCSCC3)=CN2N=C1	REAL300018613725	0	40	0.0	-102.87	336.69	8.31	-94.56
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC=C1CCSCC1)C(=O)[O-]	REAL300018613726	0	45	0.0	-54.42	378.76	10.82	-43.60
O=C([O-])C1=CC(F)=C(C[NH2+]CC=C2CCSCC2)C(F)=C1	REAL300018613727	0	38	0.0	-67.86	324.45	9.41	-58.45
O=C([O-])C1=CN2C(C[NH2+]CC=C3CCSCC3)=CN=C2C=C1	REAL300018613728	0	41	0.0	-67.65	340.74	9.78	-57.87
O=C([O-])C1=CN2C(C[NH2+]CC=C3CCSCC3)=CN=C2C(Br)=C1	REAL300018613729	0	41	0.0	-69.13	362.04	10.35	-58.78
O=C([O-])C1=CN=C2C(C[NH2+]CC=C3CCSCC3)=CC=CN12	REAL300018613730	0	41	0.0	-84.33	339.57	9.08	-75.25
O=C([O-])C1=CC=CC(C[NH2+]CC=C2CCSCC2)=C1Br	REAL300018613731	0	38	0.0	-68.80	325.05	9.77	-59.03
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC=C3CCSCC3)=N2)C1	REAL300018613732	0	45	0.0	-73.36	360.72	8.96	-64.40
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC=C2CCSCC2)C1	REAL300018613733	0	45	0.0	-84.92	360.95	9.25	-75.67
O=C([O-])C1=CC(C[NH2+]CC=C2CCSCC2)=CC(C(F)(F)F)=C1	REAL300018613734	0	41	0.0	-74.28	352.93	10.36	-63.92
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]CC=C3CCSCC3)=CN=C12	REAL300018613735	0	41	0.0	-91.90	362.12	10.56	-81.34
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]CC=C2CCSCC2)C1	REAL300018613736	0	45	0.0	-59.26	373.54	11.42	-47.84
O=C([O-])C1=CC(Br)=CC(C[NH2+]CC=C2CCSCC2)=C1	REAL300018613737	0	38	0.0	-73.11	335.18	9.96	-63.15
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CCCCC(F)(F)F)O1	REAL300018613738	0	42	0.0	-68.79	360.16	11.04	-57.75
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CCCCC(F)(F)F)C=C1	REAL300018613739	0	49	0.0	-75.02	413.92	11.88	-63.14
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCCCC(F)(F)F)O2)C=C1	REAL300018613740	0	42	0.0	-85.77	363.93	10.37	-75.40
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCCCC(F)(F)F)O2)C=C1	REAL300018613741	0	42	0.0	-85.77	363.93	10.37	-75.40
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCCCC(F)(F)F	REAL300018613742	0	42	0.0	-56.97	358.78	9.76	-47.21
CC1=CC(C[NH2+]CCCCC(F)(F)F)=CC(C)=C1OCC(=O)[O-]	REAL300018613743	0	45	0.0	-85.66	379.15	10.35	-75.31
O=C([O-])CCCN1CCC([NH2+]CCCCC(F)(F)F)CC1	REAL300018613744	1	46	0.0	-74.86	359.26	7.08	-67.78
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCCCC(F)(F)F	REAL300018613745	0	44	0.0	-76.03	368.35	8.26	-67.77
O=C([O-])COC1=CC=C(C[NH2+]CCCCC(F)(F)F)C=C1	REAL300018613746	0	39	0.0	-81.69	335.06	8.80	-72.89
O=C([O-])COC1=CC=C(C[NH2+]CCCCC(F)(F)F)C=C1	REAL300018613747	0	39	0.0	-81.69	335.06	8.80	-72.89
CC(OC1=CC=C(C[NH2+]CCCCC(F)(F)F)C=C1)C(=O)[O-]	REAL300018613748	0	42	0.0	-81.87	352.93	9.40	-72.47
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCCCC(F)(F)F)C=C1	REAL300018613749	0	42	0.0	-80.81	362.57	8.52	-72.29
O=C([O-])C(F)(F)C1CCCC([NH2+]CCCCC(F)(F)F)C1	REAL300018613750	0	41	0.0	-69.11	329.95	8.61	-60.50
O=C([O-])C(F)(F)C1CCC([NH2+]CCCCC(F)(F)F)C1	REAL300018613751	0	38	0.0	-69.45	314.80	8.21	-61.24
O=C([O-])C1=CC=C(C[NH2+]CCCCC(F)(F)F)C=C1Cl	REAL300018613752	0	35	0.0	-83.27	316.51	8.91	-74.36
O=C([O-])C1=CC=C(C[NH2+]CCCCC(F)(F)F)C(C(F)(F)F)=C1	REAL300018613753	0	38	0.0	-80.62	332.42	9.57	-71.05
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CCCCC(F)(F)F)=C1	REAL300018613754	0	42	0.0	-57.96	376.40	10.19	-47.77
O=C([O-])C1=CC=C(C[NH2+]CCCCC(F)(F)F)C=C1Br	REAL300018613755	0	35	0.0	-81.94	320.24	9.01	-72.93
O=C([O-])CCCC1CCCC([NH2+]CCCCC(F)(F)F)C1	REAL300018613756	0	47	0.0	-71.83	357.66	10.27	-61.56
O=C([O-])CN1C=C(C[NH2+]CCCCC(F)(F)F)C(C2=CC=CC=C2)=N1	REAL300018613757	0	45	0.0	-73.55	383.29	10.12	-63.43
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CCCCC(F)(F)F)C1	REAL300018613758	0	42	0.0	-57.94	345.61	10.04	-47.90
O=C([O-])C1=CC2=C(SC(C[NH2+]CCCCC(F)(F)F)=C2)S1	REAL300018613759	0	35	0.0	-84.86	332.24	9.21	-75.65
O=C([O-])C1=C2N=CC(C[NH2+]CCCCC(F)(F)F)=CN2N=C1	REAL300018613760	0	37	0.0	-101.96	326.80	7.47	-94.49
CC(OC1=CC=C(Cl)C=C1C[NH2+]CCCCC(F)(F)F)C(=O)[O-]	REAL300018613761	0	42	0.0	-51.29	368.34	9.95	-41.34
O=C([O-])C1=CC(F)=C(C[NH2+]CCCCC(F)(F)F)C(F)=C1	REAL300018613762	0	35	0.0	-68.16	314.57	8.57	-59.59
O=C([O-])C1=CN2C(C[NH2+]CCCCC(F)(F)F)=CN=C2C=C1	REAL300018613763	0	38	0.0	-66.80	330.85	8.94	-57.86
O=C([O-])C1=CN2C(C[NH2+]CCCCC(F)(F)F)=CN=C2C(Br)=C1	REAL300018613764	0	38	0.0	-68.20	352.15	9.50	-58.70
O=C([O-])C1=CN=C2C(C[NH2+]CCCCC(F)(F)F)=CC=CN12	REAL300018613765	0	38	0.0	-83.59	329.67	8.23	-75.36
O=C([O-])C1=CC=CC(C[NH2+]CCCCC(F)(F)F)=C1Br	REAL300018613766	0	35	0.0	-69.73	315.15	8.94	-60.79
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CCCCC(F)(F)F)=N2)C1	REAL300018613767	0	42	0.0	-73.11	350.99	8.12	-64.99
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CCCCC(F)(F)F)C1	REAL300018613768	0	42	0.0	-84.64	351.84	8.42	-76.22
O=C([O-])C1=CC(C[NH2+]CCCCC(F)(F)F)=CC(C(F)(F)F)=C1	REAL300018613769	0	38	0.0	-74.63	342.70	9.50	-65.13
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]CCCCC(F)(F)F)=CN=C12	REAL300018613770	0	38	0.0	-91.68	352.22	9.71	-81.97
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]CCCCC(F)(F)F)C1	REAL300018613771	0	42	0.0	-42.53	361.64	10.88	-31.65
O=C([O-])C1=CC(Br)=CC(C[NH2+]CCCCC(F)(F)F)=C1	REAL300018613772	0	35	0.0	-73.52	325.29	9.12	-64.40
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C=C1	REAL300018613773	1	43	0.0	-78.56	373.89	13.13	-65.43
O=C([O-])CN1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)CC1	REAL300018613776	0	48	0.0	-68.46	386.21	10.29	-58.17
O=C([O-])C[NH+]1CCC(NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)CC1	REAL300018613776	1	48	0.0	-33.68	386.31	11.52	-22.16
O=C([O-])C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)CC1	REAL300018613778	0	46	0.0	-57.60	365.63	12.64	-44.96
CC(C)(CC[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F)C(=O)[O-]	REAL300018613782	0	45	0.0	-60.81	369.90	11.92	-48.89
O=C([O-])C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)CC1	REAL300018613783	0	46	0.0	-57.60	365.63	12.64	-44.96
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)=C1	REAL300018613784	1	43	0.0	-71.44	373.92	13.12	-58.32
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C=C1	REAL300018613786	1	47	0.0	-77.81	405.37	13.40	-64.41
O=C([O-])COC1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C=C1	REAL300018613787	1	47	0.0	-77.81	405.37	13.40	-64.41
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)=CS1	REAL300018613788	1	40	0.0	-68.50	364.46	12.18	-56.32
O=C([O-])CC1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)CC1	REAL300018613789	0	49	0.0	-70.11	390.52	13.10	-57.01
CC([NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F)C1CC1C(=O)[O-]	REAL300018613793	0	43	0.0	-60.20	357.67	12.03	-48.17
O=C([O-])CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C1	REAL300018613794	0	43	0.0	-65.79	362.17	12.14	-53.65
CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)CCC1C(=O)[O-]	REAL300018613795	0	49	0.0	-57.52	381.48	13.10	-44.42
O=C([O-])C(F)(F)C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C1	REAL300018613797	0	46	0.0	-66.62	389.05	12.87	-53.75
CC(CC(C)(C)CC(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F	REAL300018613800	0	51	0.0	-56.50	389.80	13.06	-43.44
CC1C(CC(=O)[O-])CCC1[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F	REAL300018613801	0	49	0.0	-69.75	389.91	12.99	-56.76
CC1(C(=O)[O-])CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C1	REAL300018613802	0	43	0.0	-55.59	359.39	11.84	-43.75
CC(CCCC(C)(C)C(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F	REAL300018613805	0	54	0.0	-71.65	420.11	13.76	-57.89
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)=CC=C1F	REAL300018613809	1	43	0.0	-75.83	378.89	13.14	-62.69
O=C([O-])CCC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C1	REAL300018613810	0	46	0.0	-71.16	383.05	12.88	-58.28
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C=N1	REAL300018613811	1	42	0.0	-80.91	369.60	11.34	-69.57
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1F	REAL300018613812	1	45	0.0	-78.39	379.73	11.73	-66.66
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)C1	REAL300018613813	0	46	0.0	-73.50	377.28	12.74	-60.76
O=C([O-])C1=CC=C(O)C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2F)=C1	REAL300018613814	0	44	0.0	-68.97	381.45	10.53	-58.44
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)C=C1	REAL300018613815	1	43	0.0	-77.16	377.88	13.32	-63.84
O=C([O-])CN1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)CC1	REAL300018613818	0	48	0.0	-67.30	391.07	10.50	-56.80
O=C([O-])C[NH+]1CCC(NC(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)CC1	REAL300018613818	1	48	0.0	-33.28	390.29	11.70	-21.58
O=C([O-])C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)CC1	REAL300018613820	0	46	0.0	-56.67	370.40	12.85	-43.82
CC(C)(CC[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1Cl)C(=O)[O-]	REAL300018613824	0	45	0.0	-59.56	374.76	12.13	-47.43
O=C([O-])C1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)CC1	REAL300018613825	0	46	0.0	-56.67	370.40	12.85	-43.82
O=C([O-])C1=CC=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)=C1	REAL300018613826	1	43	0.0	-69.83	377.89	13.31	-56.52
O=C([O-])C1=CC(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)=CS1	REAL300018613828	1	40	0.0	-67.42	368.42	12.37	-55.05
O=C([O-])CC1CCC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)CC1	REAL300018613829	0	49	0.0	-68.94	395.30	13.31	-55.63
CC([NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1Cl)C1CC1C(=O)[O-]	REAL300018613833	0	43	0.0	-59.01	361.68	12.21	-46.80
O=C([O-])CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)C1	REAL300018613834	0	43	0.0	-64.71	366.12	12.33	-52.38
CC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)CCC1C(=O)[O-]	REAL300018613835	0	49	0.0	-56.65	385.45	13.29	-43.36
CC(CC(C)(C)CC(=O)[O-])[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1Cl	REAL300018613838	0	51	0.0	-55.23	397.69	13.38	-41.85
CC1C(CC(=O)[O-])CCC1[NH2+]C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1Cl	REAL300018613839	0	49	0.0	-68.43	394.77	13.21	-55.22
CC1(C(=O)[O-])CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)C1	REAL300018613840	0	43	0.0	-54.59	363.37	12.02	-42.57
O=C([O-])CCC1CC([NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)C1	REAL300018613844	0	46	0.0	-70.02	387.01	13.07	-56.95
O=C([O-])C1=CC=C(C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)C=N1	REAL300018613845	1	42	0.0	-79.50	373.59	11.53	-67.97
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C(C2=CC=CC=C2)C2=CC=C(Cl)C=C2Cl)C1	REAL300018613846	0	46	0.0	-72.10	381.29	12.92	-59.18
COC1=CN=CC(C[N@H+](C)CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)=C1	REAL300018613847	1	46	0.0	-65.15	374.48	10.58	-54.57
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)=C1	REAL300018613847	1	46	0.0	-66.16	373.50	10.60	-55.56
COC1=CN=CC(C[N@H+](C)CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300018613848	1	53	0.0	-73.87	427.62	11.34	-62.53
COC1=CN=CC(C[N@@H+](C)CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)=C1	REAL300018613848	1	53	0.0	-73.35	422.02	11.61	-61.74
COC1=CN=CC(C[N@H+](C)CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018613849	1	46	0.0	-84.59	378.21	9.94	-74.65
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018613849	1	46	0.0	-84.93	377.29	9.93	-75.00
COC1=CN=CC(C[N@H+](C)CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018613850	1	46	0.0	-84.59	378.21	9.94	-74.65
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)=C1	REAL300018613850	1	46	0.0	-84.93	377.29	9.93	-75.00
COC1=CN=CC(C[N@H+](C)CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300018613852	0	49	0.0	-84.61	391.81	9.79	-74.82
COC1=CN=CC(C[N@@H+](C)CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)=C1	REAL300018613852	1	49	0.0	-84.70	391.78	9.87	-74.83
COC1=CN=CC(C[N@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018613854	0	43	0.0	-80.55	347.68	8.24	-72.31
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018613854	1	43	0.0	-80.62	347.78	8.32	-72.30
COC1=CN=CC(C[N@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018613855	0	43	0.0	-80.55	347.68	8.24	-72.31
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(OCC(=O)[O-])C=C2)=C1	REAL300018613855	1	43	0.0	-80.62	347.78	8.32	-72.30
COC1=CN=CC(C[N@H+](C)CC2=CC=C(OC(C)C(=O)[O-])C=C2)=C1	REAL300018613856	0	46	0.0	-81.12	365.49	8.84	-72.28
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(OC(C)C(=O)[O-])C=C2)=C1	REAL300018613856	1	46	0.0	-81.63	365.66	8.92	-72.71
COC1=CN=CC(C[N@H+](C)CC2=C3C=C(C(=O)[O-])OC3=C(OC)C=C2)=C1	REAL300018613857	0	46	0.0	-81.33	376.33	7.99	-73.34
COC1=CN=CC(C[N@@H+](C)CC2=C3C=C(C(=O)[O-])OC3=C(OC)C=C2)=C1	REAL300018613857	1	46	0.0	-80.37	368.23	7.74	-72.63
COC1=CN=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300018613859	1	39	0.0	-82.11	329.16	8.35	-73.76
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])C(Cl)=C2)=C1	REAL300018613859	1	39	0.0	-82.19	329.22	8.43	-73.76
COC1=CN=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)=C1	REAL300018613860	1	42	0.0	-72.66	345.05	8.92	-63.74
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)=C1	REAL300018613860	1	42	0.0	-74.75	345.00	8.87	-65.88
COC1=CN=CC(C[N@H+](C)CC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300018613861	1	39	0.0	-80.75	332.89	8.45	-72.30
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(C(=O)[O-])C(Br)=C2)=C1	REAL300018613861	1	39	0.0	-80.80	332.96	8.52	-72.28
COC1=CN=CC(C[N@H+](C)CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=C1	REAL300018613863	1	49	0.0	-75.19	394.19	9.52	-65.67
COC1=CN=CC(C[N@@H+](C)CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)=C1	REAL300018613863	1	49	0.0	-73.09	397.67	9.65	-63.44
COC1=CN=CC(C[N@H+](C)CC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300018613865	1	39	0.0	-81.11	321.20	7.99	-73.12
COC1=CN=CC(C[N@@H+](C)CC2=CC=C(F)C(C(=O)[O-])=C2)=C1	REAL300018613865	1	39	0.0	-81.16	321.26	8.07	-73.09
COC1=CN=CC(C[N@H+](C)CC2=CC3=C(S2)SC(C(=O)[O-])=C3)=C1	REAL300018613866	1	39	0.0	-83.88	344.96	8.69	-75.19
COC1=CN=CC(C[N@@H+](C)CC2=CC3=C(S2)SC(C(=O)[O-])=C3)=C1	REAL300018613866	1	39	0.0	-83.42	345.47	8.77	-74.65
COC1=CN=CC(C[N@H+](C)CC2=CN=C(C(=O)[O-])C=C2C)=C1	REAL300018613871	1	41	0.0	-85.65	328.86	6.77	-78.88
COC1=CN=CC(C[N@@H+](C)CC2=CN=C(C(=O)[O-])C=C2C)=C1	REAL300018613871	1	41	0.0	-86.72	328.83	6.86	-79.86
COC1=CN=CC(C[N@H+](C)CC2=CC=CN3C(C(=O)[O-])=CN=C23)=C1	REAL300018613872	1	42	0.0	-83.00	339.78	7.61	-75.39
COC1=CN=CC(C[N@@H+](C)CC2=CC=CN3C(C(=O)[O-])=CN=C23)=C1	REAL300018613872	1	42	0.0	-83.54	343.08	7.78	-75.76
COC1=CN=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300018613876	1	42	0.0	-73.09	355.37	8.95	-64.14
COC1=CN=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)=C1	REAL300018613876	1	42	0.0	-73.76	355.43	9.03	-64.73
COC1=CN=CC(C[N@H+](C)CC2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300018613877	0	40	0.0	-70.26	325.78	5.39	-64.87
COC1=CN=CC(C[N@@H+](C)CC2=CC(C(=O)[O-])=CC=C2O)=C1	REAL300018613877	1	40	0.0	-70.20	326.00	5.50	-64.70
COC1=CN=CC(C[N@H+](C)CC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300018613878	1	39	0.0	-71.97	337.96	8.57	-63.40
COC1=CN=CC(C[N@@H+](C)CC2=CC(Br)=CC(C(=O)[O-])=C2)=C1	REAL300018613878	1	39	0.0	-72.08	338.02	8.65	-63.43
CC1=CC(Cl)=CC=C1C([NH2+]CC1=C(C(=O)[O-])OC=C1)C1=CC=C(Cl)C=C1	REAL300018613879	1	43	0.0	-49.71	366.99	11.97	-37.74
CC1=CC(Cl)=CC=C1C([NH2+]CC1=CC(C(=O)[O-])=CO1)C1=CC=C(Cl)C=C1	REAL300018613880	1	43	0.0	-72.34	378.20	11.99	-60.35
CC1=CC(Cl)=CC=C1C([NH2+]C1CCC(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300018613881	0	49	0.0	-61.43	389.28	13.46	-47.97
CC1=CC(Cl)=CC=C1C([NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=C(Cl)C=C1	REAL300018613882	1	43	0.0	-72.10	379.48	12.42	-59.68
CC1=CC(Cl)=CC=C1C([NH2+]CC1=CC=C(C(=O)[O-])O1)C1=CC=C(Cl)C=C1	REAL300018613883	1	43	0.0	-72.10	379.48	12.42	-59.68
CC1=CC(Cl)=CC=C1C([NH2+]CCC(C)(C)C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018613884	0	48	0.0	-65.42	392.78	12.54	-52.88
CC1=CC(Cl)=CC=C1C([NH2+]C1CCC(C(=O)[O-])CC1)C1=CC=C(Cl)C=C1	REAL300018613885	0	49	0.0	-61.43	389.28	13.46	-47.97
CC1=CC(Cl)=CC=C1C([NH2+]CC1=CC(C(=O)[O-])=NN1)C1=CC=C(Cl)C=C1	REAL300018613886	1	43	0.0	-81.33	380.88	10.32	-71.01
CC1=CC(Cl)=CC=C1C([NH2+]C(C)C1CC1C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300018613889	0	46	0.0	-63.30	387.83	12.92	-50.38
CC1=CC(Cl)=CC=C1C([NH2+]C1CC(CC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018613890	0	46	0.0	-66.88	380.20	12.60	-54.28
CC1=CC(Cl)=CC=C1C([NH2+]C1CC(C)(C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018613891	0	46	0.0	-58.92	382.32	12.47	-46.45
CC1=CC(Cl)=CC=C1C([NH2+]C1CC(CCC(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018613892	0	49	0.0	-74.39	402.43	13.33	-61.06
CC1=CC(Cl)=CC=C1C([NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1)C1=CC=C(Cl)C=C1	REAL300018613893	0	49	0.0	-77.47	399.82	13.55	-63.92
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)O1	REAL300018613894	1	43	0.0	-65.10	363.07	12.14	-52.96
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CC(F)C2=CC=CC=C2)C=C1	REAL300018613895	0	50	0.0	-75.26	416.79	12.98	-62.28
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC(F)C3=CC=CC=C3)O2)C=C1	REAL300018613896	1	43	0.0	-83.54	366.85	11.47	-72.07
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC(F)C3=CC=CC=C3)O2)C=C1	REAL300018613897	1	43	0.0	-83.54	366.85	11.47	-72.07
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC(F)C1=CC=CC=C1	REAL300018613898	0	43	0.0	-59.06	361.74	10.86	-48.20
CC1=CC(C[NH2+]CC(F)C2=CC=CC=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018613899	0	46	0.0	-84.02	382.07	11.43	-72.59
O=C([O-])CCC[NH+]1CCC(NCC(F)C2=CC=CC=C2)CC1	REAL300018613900	0	47	0.0	-56.89	363.50	9.20	-47.69
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC(F)C1=CC=CC=C1	REAL300018613901	0	45	0.0	-74.10	370.31	9.33	-64.77
O=C([O-])COC1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)C=C1	REAL300018613902	0	40	0.0	-80.04	337.97	9.90	-70.14
O=C([O-])COC1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)C=C1	REAL300018613903	0	40	0.0	-80.04	337.97	9.90	-70.14
CC(OC1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)C=C1)C(=O)[O-]	REAL300018613904	0	43	0.0	-81.11	355.85	10.50	-70.61
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC(F)C2=CC=CC=C2)C=C1	REAL300018613905	0	43	0.0	-77.56	365.50	9.62	-67.94
O=C([O-])C(F)(F)C1CCCC([NH2+]CC(F)C2=CC=CC=C2)C1	REAL300018613906	0	42	0.0	-66.44	332.84	9.71	-56.73
O=C([O-])C(F)(F)C1CCC([NH2+]CC(F)C2=CC=CC=C2)C1	REAL300018613907	0	39	0.0	-65.28	317.02	9.24	-56.04
O=C([O-])C1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)C=C1Cl	REAL300018613908	0	36	0.0	-81.44	319.46	10.01	-71.43
O=C([O-])C1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)C(C(F)(F)F)=C1	REAL300018613909	0	39	0.0	-77.60	335.33	10.68	-66.92
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CC(F)C2=CC=CC=C2)=C1	REAL300018613910	1	43	0.0	-55.68	379.88	11.27	-44.41
O=C([O-])C1=CC=C(C[NH2+]CC(F)C2=CC=CC=C2)C=C1Br	REAL300018613911	0	36	0.0	-80.09	323.20	10.11	-69.98
O=C([O-])CCCC1CCCC([NH2+]CC(F)C2=CC=CC=C2)C1	REAL300018613912	0	48	0.0	-74.19	366.99	11.16	-63.03
O=C([O-])CN1C=C(C[NH2+]CC(F)C2=CC=CC=C2)C(C2=CC=CC=C2)=N1	REAL300018613913	0	46	0.0	-72.37	386.25	11.22	-61.15
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC(F)C2=CC=CC=C2)C1	REAL300018613914	0	43	0.0	-53.56	348.57	11.14	-42.42
O=C([O-])C1=CC2=C(SC(C[NH2+]CC(F)C3=CC=CC=C3)=C2)S1	REAL300018613915	0	36	0.0	-83.13	335.16	10.31	-72.82
O=C([O-])C1=C2N=CC(C[NH2+]CC(F)C3=CC=CC=C3)=CN2N=C1	REAL300018613916	1	38	0.0	-100.35	329.69	8.57	-91.78
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC(F)C1=CC=CC=C1)C(=O)[O-]	REAL300018613917	1	43	0.0	-56.58	371.21	11.04	-45.54
O=C([O-])C1=CN2C(C[NH2+]CC(F)C3=CC=CC=C3)=CN=C2C=C1	REAL300018613919	0	39	0.0	-63.86	333.74	10.04	-53.82
O=C([O-])C1=CN2C(C[NH2+]CC(F)C3=CC=CC=C3)=CN=C2C(Br)=C1	REAL300018613920	0	39	0.0	-65.33	355.04	10.60	-54.73
O=C([O-])C1=CN=C2C(C[NH2+]CC(F)C3=CC=CC=C3)=CC=CN12	REAL300018613921	0	39	0.0	-80.18	332.56	9.33	-70.85
O=C([O-])C1=CC=CC(C[NH2+]CC(F)C2=CC=CC=C2)=C1Br	REAL300018613922	1	36	0.0	-66.19	318.07	10.04	-56.15
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC(F)C2=CC=CC=C2)C1	REAL300018613924	1	43	0.0	-81.69	353.97	9.51	-72.18
O=C([O-])C1=CC(C[NH2+]CC(F)C2=CC=CC=C2)=CC(C(F)(F)F)=C1	REAL300018613925	0	39	0.0	-74.14	345.66	10.60	-63.54
O=C([O-])C1=CC(Br)=CN2C(C[NH2+]CC(F)C3=CC=CC=C3)=CN=C12	REAL300018613926	0	39	0.0	-89.39	355.15	10.81	-78.58
O=C([O-])C1(C2=CC=CC(Br)=C2)CC([NH2+]CC(F)C2=CC=CC=C2)C1	REAL300018613927	0	43	0.0	-58.21	366.59	11.68	-46.53
O=C([O-])C1=CC(Br)=CC(C[NH2+]CC(F)C2=CC=CC=C2)=C1	REAL300018613928	0	36	0.0	-72.99	328.21	10.22	-62.77
COC1=CC=C(C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2)C(F)F)C=C1	REAL300018613929	0	43	0.0	-90.80	355.56	9.54	-81.26
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=C(C)O2)C(F)F)C=C1	REAL300018613930	0	43	0.0	-78.48	356.62	8.50	-69.98
COC1=CC=C(C(C[NH2+]CC2=C(C(=O)[O-])OC=C2)C(F)F)C=C1	REAL300018613931	0	40	0.0	-43.52	330.91	7.95	-35.57
COC1=CC=C(C(C[NH2+]C2CCN(CC(=O)[O-])CC2)C(F)F)C=C1	REAL300018613932	0	48	0.0	-68.93	365.68	6.88	-62.05
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=CO2)C(F)F)C=C1	REAL300018613933	0	40	0.0	-79.13	338.63	7.78	-71.35
COC1=CC=C(C(C[NH2+]C2CCC(C(=O)[O-])CC2)C(F)F)C=C1	REAL300018613934	0	46	0.0	-80.49	354.76	8.92	-71.57
COC1=CC=C(C(C[NH2+]CC2=CN(CC(=O)[O-])N=N2)C(F)F)C=C1	REAL300018613935	0	42	0.0	-78.62	352.30	6.36	-72.26
COC1=CC=C(C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(F)F)C=C1	REAL300018613936	0	40	0.0	-73.22	336.00	8.18	-65.04
COC1=CC=C(C(C[NH2+]CC2=CC=C(C(=O)[O-])O2)C(F)F)C=C1	REAL300018613937	0	40	0.0	-73.22	336.00	8.18	-65.04
COC1=CC=C(C(C[NH2+]CCC(C)(C)C(=O)[O-])C(F)F)C=C1	REAL300018613938	0	45	0.0	-72.29	350.51	8.31	-63.98
COC1=CC=C(C(C[NH2+]C2CCC(C(=O)[O-])CC2)C(F)F)C=C1	REAL300018613939	0	46	0.0	-80.49	354.76	8.92	-71.57
COC1=CC=C(C(C[NH2+]CC2=CC=CC(C(=O)[O-])=C2)C(F)F)C=C1	REAL300018613940	0	43	0.0	-82.57	355.64	9.54	-73.03
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=NN2)C(F)F)C=C1	REAL300018613941	0	40	0.0	-78.51	334.60	6.13	-72.38
COC1=CC=C(C(C[NH2+]CC2=CC(C)=C(OCC(=O)[O-])C(C)=C2)C(F)F)C=C1	REAL300018613942	0	53	0.0	-82.73	428.35	11.51	-71.22
COC1=CC=C(C(C[NH2+]C2CCN(CCCC(=O)[O-])CC2)C(F)F)C=C1	REAL300018613943	1	54	0.0	-81.12	409.71	7.94	-73.18
COC1=CC=C(C(CNC2CC[NH+](CCCC(=O)[O-])CC2)C(F)F)C=C1	REAL300018613943	1	54	0.0	-58.68	411.80	9.14	-49.54
COC1=CC=C(C(C[NH2+]CC2=C(C)N(CCC(=O)[O-])N=C2C)C(F)F)C=C1	REAL300018613944	0	52	0.0	-73.10	416.55	9.39	-63.71
COC1=CC=C(C(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C(F)F)C=C1	REAL300018613945	0	47	0.0	-78.91	384.25	9.97	-68.94
COC1=CC=C(C(C[NH2+]CC2=CC=C(OCC(=O)[O-])C=C2)C(F)F)C=C1	REAL300018613946	0	47	0.0	-78.91	384.25	9.97	-68.94
COC1=CC=C(C(C[NH2+]CC2=CSC(C(=O)[O-])=C2)C(F)F)C=C1	REAL300018613947	0	40	0.0	-73.47	344.24	8.74	-64.73
COC1=CC=C(C(C[NH2+]C2CCC(CC(=O)[O-])CC2)C(F)F)C=C1	REAL300018613948	0	49	0.0	-63.16	363.01	9.90	-53.26
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=NO2)C(F)F)C=C1	REAL300018613949	0	39	0.0	-76.71	330.41	7.23	-69.48
COC1=CC=C(C(C[NH2+]CC2=CC=CC(C(=O)[O-])=N2)C(F)F)C=C1	REAL300018613950	0	42	0.0	-80.21	351.41	7.70	-72.51
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=NO2)C(F)F)C=C1	REAL300018613951	0	39	0.0	-76.71	330.41	7.23	-69.48
COC1=CC=C(C(C[NH2+]C(C)C2CC2C(=O)[O-])C(F)F)C=C1	REAL300018613952	0	43	0.0	-69.59	344.20	8.58	-61.01
COC1=CC=C(C(C[NH2+]C2CC(CC(=O)[O-])C2)C(F)F)C=C1	REAL300018613953	0	43	0.0	-65.24	340.59	8.64	-56.60
COC1=CC=C(C(C[NH2+]CC2=CC=C(OC(C)C(=O)[O-])C=C2)C(F)F)C=C1	REAL300018613954	0	50	0.0	-80.09	402.13	10.56	-69.53
COC1=CC=C(C(C[NH2+]C2CCC(C(=O)[O-])C(C)C2)C(F)F)C=C1	REAL300018613955	0	49	0.0	-72.02	363.00	9.30	-62.72
COC1=CC=C(C(C[NH2+]CC2=CC=C(C=CC(=O)[O-])O2)C(F)F)C=C1	REAL300018613956	0	44	0.0	-83.87	370.49	7.78	-76.09
COC1=CC=C(C(C[NH2+]C2CCCC(C(F)(F)C(=O)[O-])C2)C(F)F)C=C1	REAL300018613957	0	49	0.0	-65.76	379.66	9.77	-55.99
COC1=CC=C(C(C[NH2+]C2CCC(C(F)(F)C(=O)[O-])C2)C(F)F)C=C1	REAL300018613958	0	46	0.0	-65.36	366.17	9.40	-55.96
COC1=CC=C(C(C[NH2+]CC2=C(C)OC(C(=O)[O-])=C2)C(F)F)C=C1	REAL300018613959	0	43	0.0	-83.97	357.39	8.69	-75.28
COC1=CC=C(C(C[NH2+]CC2=CC(C)=C(C(=O)[O-])O2)C(F)F)C=C1	REAL300018613960	0	43	0.0	-80.55	356.34	8.62	-71.93
COC1=CC=C(C(C[NH2+]CC2=CC=C(C(=O)[O-])C(Cl)=C2)C(F)F)C=C1	REAL300018613961	0	43	0.0	-90.25	368.08	9.92	-80.33
COC1=CC=C(C(C[NH2+]C(C)CC(C)(C)CC(=O)[O-])C(F)F)C=C1	REAL300018613962	0	51	0.0	-67.51	373.97	9.72	-57.79
COC1=CC=C(C(C[NH2+]C2CCC(CC(=O)[O-])C2C)C(F)F)C=C1	REAL300018613963	0	49	0.0	-77.54	372.09	9.54	-68.00
COC1=CC=C(C(C[NH2+]C2CC(C)(C(=O)[O-])C2)C(F)F)C=C1	REAL300018613964	0	43	0.0	-66.58	340.16	8.23	-58.35
COC1=CC=C(C(C[NH2+]CC2=CN(C)N=C2C(=O)[O-])C(F)F)C=C1	REAL300018613965	0	43	0.0	-51.72	353.13	7.52	-44.20
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC(C2=CC=C(OC)C=C2)C(F)F)O1	REAL300018613966	0	46	0.0	-70.24	375.73	9.43	-60.81
COC1=CC=C(C(C[NH2+]C2CCCC(CCCC(=O)[O-])C2)C(F)F)C=C1	REAL300018613967	0	55	0.0	-73.50	413.81	11.22	-62.28
COC1=CC=C(C(C[NH2+]C(C)CCCC(C)(C)C(=O)[O-])C(F)F)C=C1	REAL300018613968	0	54	0.0	-80.82	407.47	10.48	-70.34
COC1=CC=C(C(C[NH2+]CC2=CC=C(C(=O)[O-])C=N2)C(F)F)C=C1	REAL300018613969	0	42	0.0	-81.30	350.71	7.70	-73.60
COC1=CC=C(C(C[NH2+]C2CC(C(=O)[O-])(C3=CC=CC=C3)C2)C(F)F)C=C1	REAL300018613970	0	50	0.0	-54.83	395.32	11.19	-43.64
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=NN2C)C(F)F)C=C1	REAL300018613971	0	43	0.0	-81.79	355.05	7.35	-74.44
COC1=CC=C(C(C[NH2+]CC2=CC=C(CCC(=O)[O-])O2)C(F)F)C=C1	REAL300018613972	0	46	0.0	-80.88	380.36	9.42	-71.46
COC1=CC=C(C(C[NH2+]CC2=CC=C(F)C(C(=O)[O-])=C2)C(F)F)C=C1	REAL300018613973	0	43	0.0	-76.83	358.25	9.71	-67.12
COC1=CC=C(C(C[NH2+]C2CC(CCC(=O)[O-])C2)C(F)F)C=C1	REAL300018613974	0	46	0.0	-68.41	362.12	9.54	-58.87
COC1=CC=C(C(C[NH2+]CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C(F)F)C=C1	REAL300018613975	0	43	0.0	-91.96	383.81	10.22	-81.74
COC1=CC=C(C(C[NH2+]CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C(F)F)C=C1	REAL300018613976	0	45	0.0	-109.46	378.37	8.48	-100.98
COC1=CC=C(C(C[NH2+]CC2=CC=C(C(=O)[O-])N=C2)C(F)F)C=C1	REAL300018613977	0	42	0.0	-93.39	351.28	7.73	-85.66
COC1=CC=C(C(C[NH2+]CC2=C(F)C=C(C(=O)[O-])C=C2F)C(F)F)C=C1	REAL300018613978	0	43	0.0	-73.77	366.21	9.59	-64.18
COC1=CC=C(C(C[NH2+]CC2=CN=C3C=CC(C(=O)[O-])=CN23)C(F)F)C=C1	REAL300018613979	0	46	0.0	-66.98	380.04	10.11	-56.87
COC1=CC=C(C(C[NH2+]CC2=CN=C(C(=O)[O-])C=C2C)C(F)F)C=C1	REAL300018613980	0	45	0.0	-94.46	367.25	8.30	-86.16
COC1=CC=C(C(C[NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)C(F)F)C=C1	REAL300018613981	0	46	0.0	-81.02	358.97	9.14	-71.88
COC1=CC=C(C(C[NH2+]CC2=CC=CN3C(C(=O)[O-])=CN=C23)C(F)F)C=C1	REAL300018613982	0	46	0.0	-90.66	381.24	9.24	-81.42
COC1=CC=C(C(C[NH2+]CC2=NN([C@H]3C[C@H](C(=O)[O-])C3)C=C2)C(F)F)C=C1	REAL300018613983	0	50	0.0	-78.43	402.16	9.12	-69.31
COC1=CC=C(C(C[NH2+]CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)C(F)F)C=C1	REAL300018613984	0	50	0.0	-81.99	401.02	9.60	-72.39
COC1=CC=C(C(C[NH2+]CC2=CC(C(=O)[O-])=CC=C2O)C(F)F)C=C1	REAL300018613985	0	44	0.0	-68.38	360.77	7.09	-61.29
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2CC(C3CC3)C2)O1	REAL300018613986	0	47	0.0	-64.56	378.24	12.56	-52.00
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[NH2+]CC2CC(C3CC3)C2)C=C1	REAL300018613987	0	54	0.0	-72.32	432.69	13.43	-58.89
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3CC(C4CC4)C3)O2)C=C1	REAL300018613988	0	47	0.0	-82.00	382.72	11.92	-70.08
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3CC(C4CC4)C3)O2)C=C1	REAL300018613989	0	47	0.0	-82.00	382.72	11.92	-70.08
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1CC(C2CC2)C1	REAL300018613990	0	47	0.0	-53.53	377.57	11.30	-42.23
CC1=CC(C[NH2+]CC2CC(C3CC3)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018613991	0	50	0.0	-81.98	397.94	11.89	-70.09
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1CC(C2CC2)C1	REAL300018613992	0	49	0.0	-72.04	386.10	9.77	-62.27
CC(OC1=CC=C(C[NH2+]CC2CC(C3CC3)C2)C=C1)C(=O)[O-]	REAL300018613993	0	47	0.0	-79.03	371.00	10.92	-68.11
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2CC(C3CC3)C2)C=C1	REAL300018613994	0	47	0.0	-77.81	381.36	10.07	-67.74
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2CC(C3CC3)C2)C1	REAL300018613995	0	46	0.0	-66.05	351.93	10.25	-55.80
O=C([O-])C1=CC=C(C[NH2+]CC2CC(C3CC3)C2)C(C(F)(F)F)=C1	REAL300018613996	0	43	0.0	-75.65	350.48	11.10	-64.55
CC1=CC(Br)=C(OCC(=O)[O-])C(C[NH2+]CC2CC(C3CC3)C2)=C1	REAL300018613997	0	47	0.0	-57.72	395.73	11.71	-46.01
O=C([O-])C1=CC=C(C[NH2+]CC2CC(C3CC3)C2)C=C1Br	REAL300018613998	0	40	0.0	-78.22	339.03	10.55	-67.67
O=C([O-])CN1C=C(C[NH2+]CC2CC(C3CC3)C2)C(C2=CC=CC=C2)=N1	REAL300018613999	0	50	0.0	-70.03	402.03	11.64	-58.39
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3CC(C4CC4)C3)=C2)S1	REAL300018614000	0	40	0.0	-81.13	351.02	10.76	-70.37
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1F	REAL300018632692	0	48	0.0	-75.08	392.26	8.51	-66.57
CN1C=C(C2OC3(C[NH2+]C4CCCCC4(C)C)CC2(C(=O)[O-])C3)C=N1	REAL300018632693	0	54	0.0	-61.29	388.65	8.11	-53.18
CC(C)=CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632695	0	54	0.0	-65.12	414.59	8.82	-56.30
CN1C=C(C2OC3(C[NH2+]CC(C)(C)C)CC2(C(=O)[O-])C3)C=N1	REAL300018632696	0	47	0.0	-66.25	361.54	6.88	-59.37
CN1C=C(C2OC3(C[NH2+]C4CC(C)(C)CC(C)(C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632697	0	60	0.0	-64.56	432.69	8.97	-55.59
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC=CC=C5S4)CC2(C(=O)[O-])C3)C=N1	REAL300018632698	0	48	0.0	-72.72	402.92	9.35	-63.37
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632699	0	55	0.0	-72.18	434.85	8.60	-63.58
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CC=C1F	REAL300018632700	0	48	0.0	-76.06	392.63	8.48	-67.58
CC1CCC(C)C([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300018632701	0	54	0.0	-61.13	394.68	8.56	-52.57
CN1C=C(C2OC3(C[NH2+]CC4=C5NC=CC5=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632702	0	49	0.0	-73.61	396.90	7.81	-65.80
CN1C=C(C2OC3(C[NH2+]CC4=CSC([N+](=O)[O-])=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632703	0	44	0.0	-86.24	385.97	7.57	-78.67
CC1CC(C)CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300018632704	0	54	0.0	-64.56	404.68	8.31	-56.25
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632705	0	57	0.0	-69.04	446.77	10.43	-58.61
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CC(C)=C1	REAL300018632706	0	51	0.0	-70.16	408.73	9.09	-61.07
CN1C=C(C2OC3(C[NH2+]CC4=CC(Cl)=CC(Cl)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632707	0	45	0.0	-76.10	399.38	8.78	-67.32
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632708	0	51	0.0	-67.81	398.74	8.81	-59.00
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC(OC(F)F)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632709	0	49	0.0	-75.81	405.17	7.35	-68.46
CN1C=C(C2OC3(C[NH2+]CC4=NC=CS4)CC2(C(=O)[O-])C3)C=N1	REAL300018632710	0	41	0.0	-70.41	350.32	4.95	-65.46
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632711	0	57	0.0	-66.14	420.70	8.89	-57.25
CN1C=C(C2OC3(C[NH2+]CC4=CN=CN=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632712	0	43	0.0	-77.49	355.20	5.76	-71.73
CN1C=C(C2OC3(C[NH2+]CC4=CC=NC5=CC=CC=C45)CC2(C(=O)[O-])C3)C=N1	REAL300018632713	0	50	0.0	-79.22	402.40	8.04	-71.18
CC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632714	0	48	0.0	-63.93	363.03	7.61	-56.32
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632715	0	58	0.0	-69.45	456.67	9.18	-60.27
CN1C=C(C2OC3(C[NH2+]C4CCOCC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632716	0	46	0.0	-67.33	355.58	4.72	-62.61
CC(C)CCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632717	0	56	0.0	-64.32	423.19	8.90	-55.42
CCCCC(CC)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632718	0	53	0.0	-62.74	398.29	8.20	-54.54
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632719	0	48	0.0	-69.09	399.12	8.49	-60.60
CN1C=C(C2OC3(C[NH2+]CC4=CCCOC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632720	0	47	0.0	-69.54	372.56	5.57	-63.97
CN1C=C(C2OC3(C[NH2+]CC4=NC5=CC=CC=C5N4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632721	0	51	0.0	-77.57	412.79	8.17	-69.40
CN1C=C(C2OC3(C[NH2+]CC4=CC=C5OCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632722	0	50	0.0	-75.03	401.81	7.62	-67.41
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(N5CCCC5)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632723	0	56	0.0	-76.21	439.46	7.71	-68.50
CN1C=C(C2OC3(C[NH2+]CC4=CN=CS4)CC2(C(=O)[O-])C3)C=N1	REAL300018632724	0	41	0.0	-72.82	350.67	5.03	-67.79
CN1C=C(C2OC3(C[NH2+]CC4=C5C=CNC5=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632725	0	49	0.0	-69.39	397.10	7.80	-61.59
CN1C=C(C2OC3(C[NH2+]CC4=CN=CN4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632726	0	45	0.0	-75.68	366.50	6.94	-68.74
CN1C=C(C2OC3(C[NH2+]CC4=CC=C5C=CNC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632727	0	49	0.0	-73.62	397.29	7.80	-65.82
CC1=NN(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632728	0	48	0.0	-77.93	388.08	5.95	-71.98
CC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632729	0	48	0.0	-62.52	390.69	8.18	-54.34
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632730	0	48	0.0	-75.15	386.73	8.49	-66.66
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632731	0	60	0.0	-67.11	444.81	10.75	-56.36
CN(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632732	0	53	0.0	-65.22	417.15	7.78	-57.44
CN1C=C(C2OC3(C[NH2+]CC4=CSC=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632733	0	41	0.0	-69.35	350.15	4.81	-64.54
CN1C=C(C2OC3(C[NH2+]C4CCN(C5=CN=CC=N5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632734	0	55	0.0	-72.73	425.48	5.56	-67.17
CC1=NNC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632735	0	48	0.0	-72.07	384.53	5.25	-66.82
CN1C=C(C2OC3(C[NH2+]CC4=CN(C(C)(C)C)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632736	0	54	0.0	-73.01	428.70	7.60	-65.41
CN1C=C(C2OC3(C[NH2+]CC4=CC=NN4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632737	0	45	0.0	-77.81	366.16	5.38	-72.43
CN1C=C(C2OC3(C[NH2+]CC4=CN=C(N5CCCC5)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632738	0	55	0.0	-78.70	434.59	7.63	-71.07
CC(C)C1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632739	0	54	0.0	-74.83	430.76	7.44	-67.39
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1Cl	REAL300018632740	0	49	0.0	-76.65	411.45	7.63	-69.02
COC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632741	0	48	0.0	-69.82	391.70	4.55	-65.27
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=NC=CC=C45)CC2(C(=O)[O-])C3)C=N1	REAL300018632742	0	50	0.0	-78.79	402.03	8.03	-70.76
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632743	0	44	0.0	-72.95	372.24	5.77	-67.18
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=C4OCCO5)CC2(C(=O)[O-])C3)C=N1	REAL300018632744	0	51	0.0	-69.70	408.84	6.99	-62.71
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=C4OCCCO5)CC2(C(=O)[O-])C3)C=N1	REAL300018632745	0	54	0.0	-70.94	425.77	7.80	-63.14
CCCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632746	0	55	0.0	-71.71	438.78	8.80	-62.91
CC(CN1C=NC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632747	0	47	0.0	-67.08	374.85	8.12	-58.96
C#CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632748	0	54	0.0	-73.28	444.21	9.30	-63.98
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)C=NC2=NN1	REAL300018632749	0	50	0.0	-87.38	408.60	6.33	-81.05
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=N1	REAL300018632750	0	46	0.0	-79.04	377.16	5.77	-73.27
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632751	0	47	0.0	-72.93	393.72	6.52	-66.41
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC=C4N4C=NC=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632752	0	51	0.0	-65.62	409.91	10.89	-54.73
CN1C=C(C2OC3(C[NH2+]CC4=CN=C5C=CC=CN45)CC2(C(=O)[O-])C3)C=N1	REAL300018632753	0	48	0.0	-78.53	392.76	8.22	-70.31
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632754	0	49	0.0	-71.75	406.98	6.76	-64.99
CC(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632755	0	55	0.0	-71.43	435.19	8.63	-62.80
CC(C)C1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632756	0	50	0.0	-68.71	413.29	6.84	-61.87
CN1C=C(C2OC3(C[NH2+]CC4=CSC(C5CC5)=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632757	0	48	0.0	-69.14	401.98	7.03	-62.11
CCC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632758	0	47	0.0	-68.60	393.97	6.25	-62.35
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632759	0	54	0.0	-70.76	428.94	9.92	-60.84
CC1=CC=CC(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632760	0	57	0.0	-67.86	443.94	10.52	-57.34
CC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632761	0	57	0.0	-67.75	443.94	10.52	-57.23
CN1C=C(C2OC3(C[NH2+]C4CCC(F)(F)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632762	0	48	0.0	-72.33	375.59	7.23	-65.10
CN1C=C(C2OC3(C[NH2+]C4CCN(CC5CC5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632763	1	57	0.0	-65.86	430.10	6.76	-59.10
CN1C=C(C2OC3(C[NH2+]CC4=CSC(C(C)(C)C)=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632764	0	53	0.0	-68.21	432.63	7.32	-60.89
CN1C=C(C2OC3(C[NH2+]CC4=CC5=NC=CN=C5C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632765	0	49	0.0	-80.01	401.96	6.19	-73.82
CN1C=C(C2OC3(C[NH2+]CC4=CN=C(C(C)(C)C)S4)CC2(C(=O)[O-])C3)C=N1	REAL300018632766	0	53	0.0	-72.39	432.38	7.59	-64.80
CC(C)CN1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632767	1	59	0.0	-67.02	440.06	7.16	-59.86
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C(C)S1	REAL300018632768	0	48	0.0	-69.85	395.98	8.32	-61.53
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CCCC1	REAL300018632769	0	51	0.0	-64.71	379.36	7.69	-57.02
C#CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632770	0	51	0.0	-74.89	422.71	8.53	-66.36
CN1C=C(C2OC3(C[NH2+]C4CCN(C(C)(C)C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632771	1	59	0.0	-65.34	428.69	6.24	-59.10
CN1C=C(C2OC3(C[NH2+]CC4=CC(C5=CC=CC=C5)=NN4)CC2(C(=O)[O-])C3)C=N1	REAL300018632772	0	52	0.0	-80.36	425.32	7.71	-72.65
C=CCCC(CC)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632773	0	51	0.0	-64.01	389.60	7.98	-56.03
CCN1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632774	0	48	0.0	-72.34	387.66	7.03	-65.31
CCOCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632775	0	48	0.0	-64.01	376.39	5.42	-58.59
CCCC(CC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632776	0	57	0.0	-64.98	439.80	10.43	-54.55
CN1C=C(C2OC3(C[NH2+]CC4=CN(C5=CC=CC=C5)N=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632777	0	51	0.0	-77.69	418.83	7.61	-70.08
CCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1C	REAL300018632778	0	54	0.0	-71.64	427.74	7.36	-64.28
C=CCC(C)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632779	0	51	0.0	-65.00	388.05	7.70	-57.30
CC(C)CCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632780	0	60	0.0	-65.73	443.37	10.38	-55.35
CCCCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632781	0	57	0.0	-65.67	430.06	9.48	-56.19
CN1C=C(C2OC3(C[NH2+]CC4=NN(C)C5=CC=CC=C45)CC2(C(=O)[O-])C3)C=N1	REAL300018632782	0	51	0.0	-73.06	415.87	7.70	-65.36
CN1C=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632783	0	45	0.0	-69.73	368.79	5.49	-64.24
CN1C=C(C2OC3(C[NH2+]CC4=C5C=CC=CC5=NN4)CC2(C(=O)[O-])C3)C=N1	REAL300018632784	0	48	0.0	-82.71	392.81	6.39	-76.32
CN1C=C(C2OC3(C[NH2+]CC4=NNC5=CC=CC=C54)CC2(C(=O)[O-])C3)C=N1	REAL300018632784	1	48	0.0	-73.50	392.62	6.43	-67.07
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1F	REAL300018632785	0	53	0.0	-77.00	426.83	7.32	-69.68
CN1C=C(C2OC3(C[NH2+]CC4=NC=CN4CC(F)(F)F)CC2(C(=O)[O-])C3)C=N1	REAL300018632786	0	48	0.0	-74.21	403.12	7.27	-66.94
CN1C=C(C2OC3(C[NH2+]CC4=CC=C5OC(C)(C)CC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632787	0	56	0.0	-74.96	443.33	9.01	-65.95
CC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632788	0	44	0.0	-76.30	372.09	6.22	-70.08
CN1C=C(C2OC3(C[NH2+]CC4=COC(C5=CC=CC=C5)=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632789	0	51	0.0	-73.69	422.19	6.24	-67.45
CC(CC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632790	0	48	0.0	-64.97	390.57	8.02	-56.95
CN1C=C(C2OC3(C[NH2+]CC4CCCCCCC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632791	0	57	0.0	-67.07	405.61	8.81	-58.26
CC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632792	0	44	0.0	-69.97	372.50	5.51	-64.46
CC1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632793	0	47	0.0	-74.06	375.85	6.58	-67.48
CC(CSC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632794	0	54	0.0	-62.37	421.86	8.49	-53.88
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)N1C	REAL300018632795	0	53	0.0	-76.44	418.37	7.18	-69.26
CN1C=C(C2OC3(C[NH2+]CC4=NC(C5=CC=CC=C5)=CN4)CC2(C(=O)[O-])C3)C=N1	REAL300018632796	0	52	0.0	-76.96	424.84	8.08	-68.88
CC(C)OCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632797	0	51	0.0	-63.94	396.66	6.18	-57.76
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632798	0	58	0.0	-71.99	458.53	9.47	-62.52
COCC(CC(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632799	0	54	0.0	-63.85	407.79	6.37	-57.48
CN1C=C(C2OC3(C[NH2+]C4CCCOC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632800	0	46	0.0	-65.52	352.98	4.63	-60.89
CN1C=C(C2OC3(C[NH2+]CC4CCCC(C)(C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632801	0	57	0.0	-67.52	417.87	8.84	-58.68
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632802	0	56	0.0	-68.90	433.25	8.80	-60.10
CN1C=C(C2OC3(C[NH2+]C4CCCC4(C)C)CC2(C(=O)[O-])C3)C=N1	REAL300018632803	0	51	0.0	-61.84	379.11	8.00	-53.84
CN1C=C(C2OC3(C[NH2+]CC4=CC=C5CCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632804	0	52	0.0	-70.63	411.46	9.69	-60.94
CC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632805	0	54	0.0	-64.88	416.43	9.51	-55.37
CC1=CC=CC(CC(C)[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632806	0	54	0.0	-64.35	421.78	9.73	-54.62
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)SC=C1	REAL300018632807	0	46	0.0	-64.41	386.04	6.19	-58.22
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632808	0	58	0.0	-71.44	458.88	9.50	-61.94
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(F)C5=CC=CC=C45)CC2(C(=O)[O-])C3)C=N1	REAL300018632809	0	51	0.0	-78.35	412.05	9.97	-68.38
CN1C=C(C2OC3(C[NH2+]CCC4CCOCC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632810	0	52	0.0	-72.47	399.10	6.34	-66.13
CN1C=C(C2OC3(C[NH2+]CC4CCSCC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632811	0	49	0.0	-73.98	386.26	7.85	-66.13
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632812	0	58	0.0	-65.52	457.53	9.56	-55.96
CN1C=C(C2OC3(C[NH2+]CC4CCCCCC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632813	0	54	0.0	-69.35	397.88	8.57	-60.78
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=C4OC(C)(C)C5)CC2(C(=O)[O-])C3)C=N1	REAL300018632814	0	56	0.0	-66.27	443.14	8.99	-57.28
CN1C=C(C2OC3(C[NH2+]CC4=C(Cl)C=NC=C4Cl)CC2(C(=O)[O-])C3)C=N1	REAL300018632815	0	44	0.0	-65.21	389.03	6.79	-58.42
CN1C=C(C2OC3(C[NH2+]CC4=NC5=C(CCCC5)S4)CC2(C(=O)[O-])C3)C=N1	REAL300018632816	0	51	0.0	-69.45	414.44	7.52	-61.93
CN1C=C(C2OC3(C[NH2+]CC4=CC=NC=C4Cl)CC2(C(=O)[O-])C3)C=N1	REAL300018632817	0	44	0.0	-72.09	374.00	6.45	-65.64
CN1C=C(C2OC3(C[NH2+]CC(C)(C)N4CCOCC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632818	0	57	0.0	-68.74	419.47	4.63	-64.11
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CCCC1	REAL300018632819	0	54	0.0	-63.06	397.78	8.44	-54.62
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=NN1C	REAL300018632820	0	48	0.0	-69.40	388.28	5.95	-63.45
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=N1	REAL300018632821	0	49	0.0	-77.45	398.53	6.33	-71.12
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC(N5C=CC=N5)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632822	0	52	0.0	-75.23	423.89	9.00	-66.23
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=NO1	REAL300018632823	0	44	0.0	-71.35	362.45	5.95	-65.40
CCN1C=NC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632824	0	48	0.0	-74.94	388.04	7.85	-67.09
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)N1C	REAL300018632825	0	48	0.0	-76.43	386.07	6.76	-69.67
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC=NC=C5C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632826	0	50	0.0	-78.47	406.92	8.26	-70.21
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=NNC=C54)CC2(C(=O)[O-])C3)C=N1	REAL300018632827	0	48	0.0	-81.88	391.66	6.50	-75.38
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=CNN=C54)CC2(C(=O)[O-])C3)C=N1	REAL300018632828	0	48	0.0	-67.84	392.19	6.46	-61.38
CN1C=C(C2OC3(C[NH2+]CC4=CN=C5CCCN45)CC2(C(=O)[O-])C3)C=N1	REAL300018632829	0	49	0.0	-75.25	391.93	7.36	-67.89
CN1C=C(C2OC3(C[NH2+]C4CCN(S(C)(=O)=O)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632830	0	53	0.0	-77.60	418.84	3.56	-74.04
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(F)C=N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632831	0	44	0.0	-73.60	367.30	6.03	-67.57
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)SC=N1	REAL300018632832	0	44	0.0	-72.65	369.83	5.53	-67.12
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632833	0	49	0.0	-75.41	401.83	7.13	-68.28
CC(CC1=CN=CC=N1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632834	0	49	0.0	-63.01	388.10	6.09	-56.92
CN1C=C(C2OC3(C[NH2+]CC4=CN=C(C(C)(C)C)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632835	0	55	0.0	-78.43	437.31	7.75	-70.68
CC1=NOC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632836	0	44	0.0	-78.06	362.45	5.98	-72.08
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=CO1	REAL300018632837	0	45	0.0	-70.68	365.46	6.58	-64.10
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C(Cl)=C1	REAL300018632838	0	48	0.0	-66.81	400.03	8.89	-57.92
CN1C=C(C2OC3(C[NH2+]CCC4=CC=CC(Cl)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632839	0	48	0.0	-74.05	403.93	9.08	-64.97
CN1C=C(C2OC3(C[NH2+]CC4=NOC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632840	0	41	0.0	-71.87	340.52	5.12	-66.75
CN1C=C(C2OC3(C[NH2+]C4CCCC4C4=CC=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632841	0	55	0.0	-61.56	415.07	10.36	-51.20
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(F)C5=CC=CN=C45)CC2(C(=O)[O-])C3)C=N1	REAL300018632842	0	50	0.0	-71.04	410.97	8.36	-62.68
CN1C=C(C2OC3(C[NH2+]CC4=CC(F)=CC5=CC=CN=C54)CC2(C(=O)[O-])C3)C=N1	REAL300018632843	0	50	0.0	-69.25	411.71	8.40	-60.85
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(S(C)=O)C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632844	0	50	0.0	-82.84	417.78	6.34	-76.50
CC(C)CCN1C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632845	0	58	0.0	-70.21	452.96	10.15	-60.06
CCC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CCO1	REAL300018632846	0	52	0.0	-66.81	395.00	6.20	-60.61
CC(C)C1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CCO1	REAL300018632847	0	55	0.0	-66.82	410.75	6.79	-60.03
CN1C=C(C2OC3(C[NH2+]CC4=CC=C5CCCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632848	0	55	0.0	-70.13	428.62	10.27	-59.86
CC(C)CC(C)CC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632849	0	59	0.0	-64.14	436.72	9.26	-54.88
CCC1CCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632850	0	48	0.0	-69.36	372.11	7.27	-62.09
CC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632851	0	54	0.0	-69.20	422.99	9.71	-59.49
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)O1	REAL300018632852	0	49	0.0	-72.89	402.24	5.80	-67.09
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC(OC(C)(C)C)=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632853	0	58	0.0	-71.07	446.32	8.92	-62.15
CC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CCCCC1	REAL300018632854	0	57	0.0	-67.45	421.42	9.17	-58.28
CCC(CC)(CC)C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632855	0	56	0.0	-66.33	404.21	8.28	-58.05
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)O1	REAL300018632856	1	44	0.0	-72.68	362.95	3.36	-69.32
CC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632857	0	45	0.0	-73.78	367.27	5.10	-68.68
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C(C)=C1	REAL300018632858	0	55	0.0	-72.26	432.10	8.62	-63.64
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632859	0	52	0.0	-65.92	415.47	7.81	-58.11
CN1C=C(C2OC3(C[NH2+]CC4CCC5=CC=CC=C5C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632860	0	55	0.0	-71.80	424.68	10.23	-61.57
CN1C=C(C2OC3(C[NH2+]C4CCC(C5=CC=C(F)C=C5)C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632861	0	55	0.0	-72.85	432.77	10.17	-62.68
CC1=NC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)O1	REAL300018632862	0	47	0.0	-75.12	383.57	3.95	-71.17
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632863	0	49	0.0	-71.11	411.05	6.63	-64.48
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632864	0	51	0.0	-68.86	421.01	9.24	-59.62
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)N=C1	REAL300018632865	0	47	0.0	-69.08	382.33	6.61	-62.47
CN1C=C(C2OC3(C[NH2+]CC4=CC=NS4)CC2(C(=O)[O-])C3)C=N1	REAL300018632866	0	41	0.0	-76.12	350.34	5.63	-70.49
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632867	0	51	0.0	-71.93	406.77	7.59	-64.34
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=CC=C1[N+](=O)[O-]	REAL300018632868	0	50	0.0	-84.11	403.54	8.89	-75.22
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CC=C1Cl	REAL300018632869	0	49	0.0	-78.65	411.07	7.65	-71.00
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632870	0	45	0.0	-70.37	377.78	7.52	-62.85
COC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632871	0	52	0.0	-65.38	411.09	7.66	-57.72
CN1C=C(C2OC3(C[NH2+]CC4=C5OC=CC5=CC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632872	0	48	0.0	-70.17	393.27	8.10	-62.07
CN1C=C(C2OC3(C[NH2+]CC4=NN(C5=CC=CC=C5)C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632873	0	52	0.0	-72.42	424.81	8.90	-63.52
CC1CSCC1[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632874	0	46	0.0	-68.82	361.44	7.28	-61.54
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632875	0	51	0.0	-75.02	409.49	6.93	-68.09
CN1C=C(C2OC3(C[NH2+]CC4=NN5CCCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632876	0	52	0.0	-69.07	410.52	7.11	-61.96
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632877	0	51	0.0	-70.78	408.42	9.23	-61.55
COC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632878	0	45	0.0	-75.23	383.05	3.42	-71.81
CN1C=C(C2OC3(C[NH2+]C4CC5=CC=C(Cl)C=C5C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632879	0	49	0.0	-74.04	403.95	9.30	-64.74
CC1=NC=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632880	0	46	0.0	-72.56	372.89	4.58	-67.98
CN1C=C(C2OC3(C[NH2+]C4CCC5(CC5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632881	0	52	0.0	-66.71	396.21	8.46	-58.25
CN1C=C(C2OC3(C[NH2+]CC4=CC5=C(C=N4)OCCO5)CC2(C(=O)[O-])C3)C=N1	REAL300018632882	0	50	0.0	-72.64	405.35	5.14	-67.50
CN1C=C(C2OC3(C[NH2+]C4C[C@@H]5CC[C@@H](C5)C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632883	0	52	0.0	-57.84	363.55	8.49	-49.35
CC1=CC=CN2C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)=CN=C12	REAL300018632884	0	51	0.0	-78.22	414.21	8.81	-69.41
CCN1N=CN=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632885	0	47	0.0	-78.48	383.89	6.90	-71.58
CN1C=C(C2OC3(C[NH2+]CC4=CN=C(Cl)N4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632886	0	45	0.0	-79.43	382.25	6.64	-72.79
CN1C=C(C2OC3(C[NH2+]CC4=CC(C(F)(F)F)=NN4)CC2(C(=O)[O-])C3)C=N1	REAL300018632887	0	45	0.0	-83.84	386.60	5.15	-78.69
CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)N1C	REAL300018632888	0	48	0.0	-73.05	386.22	6.63	-66.42
CN1C=C(C2OC3(C[NH2+]CC4=CC5=C(F)C=CC=C5N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632889	0	49	0.0	-78.34	404.31	7.79	-70.55
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC=C(F)C=C5N4)CC2(C(=O)[O-])C3)C=N1	REAL300018632890	0	49	0.0	-78.88	404.21	7.79	-71.09
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632891	0	51	0.0	-72.23	414.94	5.37	-66.86
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632892	0	48	0.0	-73.22	395.38	8.77	-64.45
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC=NC=C5S4)CC2(C(=O)[O-])C3)C=N1	REAL300018632893	0	47	0.0	-77.58	397.66	7.56	-70.02
CC1=CC=CC2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)N21	REAL300018632894	0	51	0.0	-76.59	403.26	8.60	-67.99
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CC1(C)C	REAL300018632895	0	54	0.0	-62.55	403.50	8.37	-54.18
C=CCCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632896	0	57	0.0	-64.65	439.93	9.73	-54.92
C=CCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632897	0	54	0.0	-64.83	418.43	8.94	-55.89
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632898	0	48	0.0	-73.97	403.68	8.97	-65.00
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632899	0	52	0.0	-71.83	420.63	7.48	-64.35
COCC(CC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632900	0	57	0.0	-60.10	425.06	7.25	-52.85
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC=CC(F)=C5N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632901	0	50	0.0	-84.78	412.95	8.24	-76.54
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CC2=CC=CN=C12	REAL300018632902	0	53	0.0	-78.51	427.16	8.97	-69.54
CC(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300018632903	0	57	0.0	-64.30	417.80	8.72	-55.58
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)SN=N1	REAL300018632904	0	43	0.0	-80.65	365.06	4.94	-75.71
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1C	REAL300018632905	0	58	0.0	-72.93	458.85	9.55	-63.38
COC1=C(C)C=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1C	REAL300018632906	0	54	0.0	-69.87	428.45	6.58	-63.29
CN1C=C(C2OC3(C[NH2+]C4CCCCC45CCCC5)CC2(C(=O)[O-])C3)C=N1	REAL300018632907	0	58	0.0	-61.53	412.93	9.35	-52.18
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300018632908	0	54	0.0	-63.36	394.53	8.48	-54.88
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC(F)=C4N)CC2(C(=O)[O-])C3)C=N1	REAL300018632909	0	47	0.0	-73.56	381.94	5.90	-67.66
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(C(F)F)C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632910	0	48	0.0	-75.23	399.73	8.68	-66.55
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=C4CCC5)CC2(C(=O)[O-])C3)C=N1	REAL300018632911	0	52	0.0	-70.01	410.23	9.61	-60.40
CN1C=C(C2OC3(C[NH2+]CC4=CN(C)N=C4[N+](=O)[O-])CC2(C(=O)[O-])C3)C=N1	REAL300018632912	0	47	0.0	-82.63	394.10	7.16	-75.47
CN1C=C(C2OC3(C[NH2+]CC4=NC(Cl)=CS4)CC2(C(=O)[O-])C3)C=N1	REAL300018632913	0	41	0.0	-73.80	367.68	5.34	-68.46
COC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632914	0	45	0.0	-77.35	383.23	3.69	-73.66
CN1C=C(C2OC3(C[NH2+]CC4=NC=CC5=CC=CC=C54)CC2(C(=O)[O-])C3)C=N1	REAL300018632915	0	50	0.0	-71.33	403.65	8.06	-63.27
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632916	0	49	0.0	-62.57	407.75	7.57	-55.00
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=NN1C	REAL300018632917	0	48	0.0	-73.13	385.50	6.04	-67.09
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1C	REAL300018632918	0	57	0.0	-71.56	449.24	8.11	-63.45
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C12CCCC2	REAL300018632919	0	59	0.0	-65.04	445.56	8.85	-56.19
CCC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CCC1	REAL300018632920	0	51	0.0	-63.77	381.20	7.87	-55.90
CN1C=C(C2OC3(C[NH2+]C4CC5CCC(C5)C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632921	0	52	0.0	-64.14	380.57	7.88	-56.26
CN1C=C(C2OC3(C[NH2+]C4CCCC45CCCC5)CC2(C(=O)[O-])C3)C=N1	REAL300018632922	0	55	0.0	-64.46	403.87	9.25	-55.21
CCCC(C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1=CC=CC=C1	REAL300018632923	0	57	0.0	-68.27	442.60	10.36	-57.91
CN1C=C(C2OC3(C[NH2+]CC4=CN=C(C5CC5)O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632924	0	48	0.0	-74.57	394.64	5.08	-69.49
CN1C=C(C2OC3(C[NH2+]C4CC(C(C)(C)C)C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632925	0	54	0.0	-66.25	405.75	8.33	-57.92
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632926	0	51	0.0	-75.71	412.21	6.18	-69.53
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632927	0	52	0.0	-75.17	423.69	8.06	-67.11
COC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632928	0	55	0.0	-72.30	431.06	8.31	-63.99
CN1C=C(C2OC3(C[NH2+]CC4=CC(C5CC5)=NN4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632929	0	52	0.0	-78.08	418.24	7.42	-70.66
CN1C=C(C2OC3(C[NH2+]C4CCC5(CCCCC5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632931	0	61	0.0	-67.06	433.42	9.64	-57.42
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C(C)C1=CC=CC=C1	REAL300018632932	0	54	0.0	-66.06	416.10	9.38	-56.68
CN1C=C(C2OC3(C[NH2+]C4CC5=C(C4)C4=CC=CC=C4N5)CC2(C(=O)[O-])C3)C=N1	REAL300018632933	0	53	0.0	-75.45	418.99	8.84	-66.61
CN1C=C(C2OC3(C[NH2+]CC4=CC=NN4CC4CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632934	0	52	0.0	-74.86	413.96	7.82	-67.04
CC(CCC1=CC=CN=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632935	0	53	0.0	-71.36	417.37	8.06	-63.30
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632936	0	54	0.0	-70.15	426.14	9.69	-60.46
CN1C=C(C2OC3(C[NH2+]CC4=NC=NN4C)CC2(C(=O)[O-])C3)C=N1	REAL300018632937	0	44	0.0	-79.49	360.81	6.04	-73.45
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(S(N)(=O)=O)O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632938	0	47	0.0	-83.89	403.28	0.92	-82.97
CN1C=C(C2OC3(C[NH2+]C4CCC5(CCOCC5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632939	0	59	0.0	-70.13	424.94	7.28	-62.85
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1C	REAL300018632940	0	51	0.0	-74.90	404.46	5.94	-68.96
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC(Cl)=C4N)CC2(C(=O)[O-])C3)C=N1	REAL300018632941	0	47	0.0	-72.48	390.87	6.37	-66.11
CCC1=CNC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632942	0	48	0.0	-73.87	388.30	5.87	-68.00
CN1C=C(C2OC3(C[NH2+]CCC4=CC=C(F)C=C4Cl)CC2(C(=O)[O-])C3)C=N1	REAL300018632943	0	48	0.0	-72.22	406.10	8.94	-63.28
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CN=CC=C5O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632944	0	47	0.0	-78.07	388.53	6.57	-71.50
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)NC2=CC=C1	REAL300018632945	0	52	0.0	-76.52	418.38	8.39	-68.13
CCOC1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632946	0	55	0.0	-68.63	419.11	7.12	-61.51
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C(C)=C1	REAL300018632947	0	58	0.0	-72.10	453.59	9.42	-62.68
CC1=C(C)NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=N1	REAL300018632948	0	48	0.0	-73.79	386.63	5.66	-68.13
CC1=CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632949	0	49	0.0	-66.58	377.75	7.72	-58.86
CN1C=C(C2OC3(C[NH2+]C4CCC5(CCCC5)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632950	0	58	0.0	-67.45	422.35	9.32	-58.13
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(C(F)F)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632951	0	47	0.0	-80.10	393.93	6.89	-73.21
CN1C=C(C2OC3(C[NH2+]C4CCC5=CC=CC=C5CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632952	0	55	0.0	-70.06	416.84	9.77	-60.29
CCC1(C)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632953	0	57	0.0	-65.66	412.65	8.46	-57.20
CN1C=C(C2OC3(C[NH2+]C4CCCC5=CC=CC=C5C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632954	0	55	0.0	-68.76	417.44	9.74	-59.02
CN1C=C(C2OC3(C[NH2+]CC4=CN(C)N=C4C(F)F)CC2(C(=O)[O-])C3)C=N1	REAL300018632955	0	48	0.0	-70.42	397.65	6.47	-63.95
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CCCCCC1	REAL300018632956	0	57	0.0	-64.35	409.73	8.97	-55.38
CCC1(CC)CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632957	0	60	0.0	-65.85	427.21	8.98	-56.87
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC5=C4CCOC5)CC2(C(=O)[O-])C3)C=N1	REAL300018632958	0	53	0.0	-72.84	412.75	7.74	-65.10
CN1C=C(C2OC3(C[NH2+]CC4CC4C4=CC=C(F)C=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632959	0	52	0.0	-70.98	415.80	9.67	-61.31
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632960	0	54	0.0	-67.80	427.01	9.46	-58.34
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300018632961	0	45	0.0	-65.01	353.20	6.69	-58.32
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632962	0	51	0.0	-75.53	405.12	7.06	-68.47
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(C3)C(C3=CN(C)N=C3)O4)NC2=C1	REAL300018632963	0	52	0.0	-75.76	419.17	8.38	-67.38
CN1C=C(C2OC3(C[NH2+]CC4=C5CCCN5N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632964	0	49	0.0	-73.90	392.44	6.38	-67.52
CN1C=C(C2OC3(C[NH2+]CC4=NN5CCCC5=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632965	0	49	0.0	-70.19	392.45	6.29	-63.90
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C1	REAL300018632966	0	54	0.0	-64.52	403.23	8.26	-56.26
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC=CN=C5O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632967	0	47	0.0	-78.83	388.57	5.25	-73.58
CC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632968	0	54	0.0	-64.81	394.64	8.08	-56.73
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CC1	REAL300018632969	0	57	0.0	-65.89	413.88	8.82	-57.07
CN1C=C(C2OC3(C[NH2+]C4CCCC(C)(C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632970	0	57	0.0	-65.01	412.98	8.64	-56.37
CN1C=C(C2OC3(C[NH2+]C4CCCC(C(C)(C)C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632971	0	63	0.0	-66.45	446.53	9.71	-56.74
CC1CC([NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)CCN1C	REAL300018632972	1	53	0.0	-66.23	391.45	4.91	-61.32
CN1C=C(C2OC3(C[NH2+]CC4=CC5=CC(F)=CC=C5O4)CC2(C(=O)[O-])C3)C=N1	REAL300018632973	0	48	0.0	-76.91	400.22	8.37	-68.54
CC([NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2)C1CCCO1	REAL300018632974	0	49	0.0	-62.31	371.37	5.73	-56.58
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=C1	REAL300018632975	0	52	0.0	-72.72	420.60	7.52	-65.20
CN(C)CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CS1	REAL300018632976	0	52	0.0	-69.17	428.47	4.46	-64.71
CN1C=C(C2OC3(C[NH2+]CC4(C)CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632977	0	45	0.0	-64.80	351.35	6.96	-57.84
CC1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=C1	REAL300018632978	0	51	0.0	-70.19	408.49	9.18	-61.01
CCCCC(C)C(C)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632979	0	56	0.0	-63.96	416.55	8.63	-55.33
CN1C=C(C2OC3(C[NH2+]CC4=CC=CC=C4C4CC4)CC2(C(=O)[O-])C3)C=N1	REAL300018632980	0	52	0.0	-69.14	408.95	9.78	-59.36
CN1C=C(C2OC3(C[NH2+]CCC4=CC=C(F)C=C4F)CC2(C(=O)[O-])C3)C=N1	REAL300018632981	0	48	0.0	-73.36	398.95	8.62	-64.74
CC1=CC(CC[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)=CC(C)=C1	REAL300018632982	0	54	0.0	-70.24	429.90	9.84	-60.40
CC(CCC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632983	0	51	0.0	-68.00	412.52	8.78	-59.22
CN1C=C(C2OC3(C[NH2+]CC4=CNN=C4C4=CSC=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632984	0	49	0.0	-74.82	412.45	6.66	-68.16
CN1C=C(C2OC3(C[NH2+]CC4=CC(C5=CC=CC=N5)=NN4)CC2(C(=O)[O-])C3)C=N1	REAL300018632985	0	51	0.0	-79.57	422.10	6.02	-73.55
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632986	0	51	0.0	-68.05	403.69	6.78	-61.27
CN1C=C(C2OC3(C[NH2+]CC4=CN=C5C(=C4)C=NN5C)CC2(C(=O)[O-])C3)C=N1	REAL300018632987	0	50	0.0	-83.15	410.23	6.90	-76.25
COCC(CC1CCOCC1)[NH2+]CC12CC(C(=O)[O-])(C1)C(C1=CN(C)N=C1)O2	REAL300018632988	0	59	0.0	-67.68	443.83	5.93	-61.75
CN1C=C(CCC[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)C=N1	REAL300018632989	0	51	0.0	-74.60	411.39	7.08	-67.52
CCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(C2)C(C2=CN(C)N=C2)O3)S1	REAL300018632990	0	47	0.0	-69.41	394.10	6.50	-62.91
CN1C=C(C2OC3(C[NH2+]CC4=CC=C(F)N=C4)CC2(C(=O)[O-])C3)C=N1	REAL300018632991	0	44	0.0	-81.37	367.18	5.93	-75.44
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CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635325	0	58	0.0	-73.60	407.08	12.93	-60.67
CN(C)C1=CC=CC=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635326	0	51	0.0	-70.02	379.35	10.00	-60.02
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CC(C)(C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2)N1CCOCC1	REAL300018635477	0	55	0.0	-73.34	381.24	6.98	-66.36
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CC(CC1=CC=C(F)C=C1Cl)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635479	0	49	0.0	-77.01	379.20	11.58	-65.43
CN1C=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C(C2=CC=CC=C2)=N1	REAL300018635480	0	53	0.0	-75.37	407.32	11.12	-64.25
CCC1=NC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=N1	REAL300018635481	0	47	0.0	-82.37	361.10	8.57	-73.80
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COC1=CC(F)=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635491	0	47	0.0	-79.75	364.01	9.34	-70.41
CC(CC1=CN=CC=N1)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635492	0	47	0.0	-70.55	346.10	8.15	-62.40
CC(C)(C)C1=NC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=N1	REAL300018635493	0	53	0.0	-81.97	399.72	9.93	-72.04
COC1=CC=CC=C1N1CCC([NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)CC1	REAL300018635494	0	59	0.0	-76.96	423.82	9.87	-67.09
CC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C(Cl)=C1	REAL300018635495	0	46	0.0	-72.37	361.34	11.11	-61.26
COC1=CC=C(OC(F)F)C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635496	0	51	0.0	-76.34	395.46	8.89	-67.45
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CC1=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=CC=C1OC1=CC=CN=C1	REAL300018635501	0	56	0.0	-80.69	433.45	11.86	-68.83
CC(CC1=CC=C(F)C=C1Br)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635502	0	49	0.0	-76.91	382.69	11.64	-65.27
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4(C3)CCC(C(=O)[O-])CC4)S2)C=C1	REAL300018635503	0	52	0.0	-78.32	414.52	11.68	-66.64
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CS(=O)C1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1	REAL300018635509	0	48	0.0	-88.96	378.78	8.51	-80.45
O=C([O-])C1CCC2(CC([NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)C2)CC1	REAL300018635510	0	45	0.0	-87.31	369.02	11.09	-76.22
CC(C)CCN1C=CC=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635511	0	56	0.0	-74.81	415.35	12.36	-62.45
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CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)O1	REAL300018635513	0	53	0.0	-79.68	415.30	12.62	-67.06
CCC1=CC=C(C2=CC=C(C[NH2+]C3CC4(C3)CCC(C(=O)[O-])CC4)O2)C=C1	REAL300018635514	0	56	0.0	-77.89	431.28	13.32	-64.57
COC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C(OC(F)F)=C1	REAL300018635515	0	51	0.0	-78.23	395.46	8.90	-69.33
CC(C)C1CC([NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)CCO1	REAL300018635516	0	53	0.0	-74.97	371.23	8.95	-66.02
CCN1C=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C(C2=CC=CC=C2)=N1	REAL300018635517	0	56	0.0	-74.88	428.55	12.02	-62.86
O=C([O-])C1CCC2(CC([NH2+]CC3=CC=C4CCCCC4=C3)C2)CC1	REAL300018635518	0	53	0.0	-74.90	390.79	12.47	-62.43
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CC(C)CC(C)CC(C)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635520	0	57	0.0	-72.64	399.20	11.52	-61.12
CC1=CC=C(C(C)C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1	REAL300018635521	0	52	0.0	-77.22	385.52	11.95	-65.27
COC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1C(C)(C)C	REAL300018635522	0	59	0.0	-76.92	428.77	11.96	-64.96
COCC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)O1	REAL300018635523	0	47	0.0	-76.92	364.42	7.99	-68.93
CC(C)(C)OC1=CC=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635524	0	56	0.0	-74.93	408.50	11.11	-63.82
CC(C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2)C1CCCCC1	REAL300018635525	0	55	0.0	-74.89	383.95	11.42	-63.47
NS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1	REAL300018635526	0	48	0.0	-89.39	380.73	4.88	-84.51
O=C([O-])C1CCC2(CC([NH2+]C3CCC4=CC=CC(Cl)=C4C3)C2)CC1	REAL300018635527	0	50	0.0	-81.58	376.69	11.80	-69.78
CCOC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C(C)=C1	REAL300018635528	0	53	0.0	-76.48	394.27	10.82	-65.66
COC1=CC(C)=CC=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635529	0	50	0.0	-70.12	377.65	10.00	-60.12
O=C([O-])C1CCC2(CC([NH2+]CC3CCC4=CC=CC=C4C3)C2)CC1	REAL300018635530	0	53	0.0	-79.48	387.62	12.42	-67.06
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635531	0	45	0.0	-78.85	369.76	9.07	-69.78
O=C([O-])C1CCC2(CC([NH2+]C3CCC(C4=CC=C(F)C=C4)C3)C2)CC1	REAL300018635532	0	53	0.0	-79.82	394.67	12.35	-67.47
COCC1=CSC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635533	0	47	0.0	-75.46	373.62	8.81	-66.65
CCCC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)S1	REAL300018635534	0	49	0.0	-74.03	383.24	11.45	-62.58
CC(C)N1C=CN=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635535	0	49	0.0	-78.15	369.00	9.80	-68.35
CC1=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=CC=C1[N+](=O)[O-]	REAL300018635536	0	48	0.0	-89.11	365.72	11.10	-78.01
CC1=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=CC=C1Br	REAL300018635537	0	46	0.0	-79.17	367.64	11.17	-68.00
COC1=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=CC=C1Cl	REAL300018635538	0	47	0.0	-82.29	373.68	9.84	-72.45
COC1=CC=CC(C)=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635539	0	50	0.0	-69.89	373.27	9.85	-60.04
O=C([O-])C1CCC2(CC([NH2+]CC3=C4OC=CC4=CC=C3)C2)CC1	REAL300018635540	0	46	0.0	-73.57	355.44	10.30	-63.27
O=C([O-])C1CCC2(CC([NH2+]CC3=NN(C4=CC=CC=C4)C=C3)C2)CC1	REAL300018635541	0	50	0.0	-77.58	387.04	11.10	-66.48
O=C([O-])C1CCC2(CC([NH2+]CC3=CN=C(C(F)(F)F)S3)C2)CC1	REAL300018635542	0	42	0.0	-84.36	354.17	8.38	-75.98
CCC1=NN(C)C=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635543	0	49	0.0	-78.33	372.05	9.11	-69.22
O=C([O-])C1CCC2(CC([NH2+]CC3=NN4CCCCC4=C3)C2)CC1	REAL300018635544	0	50	0.0	-74.38	372.75	9.31	-65.07
CCC1=CC=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635545	0	49	0.0	-74.92	370.98	11.41	-63.51
COC1=NC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)S1	REAL300018635546	0	43	0.0	-78.83	345.61	5.59	-73.24
O=C([O-])C1CCC2(CC([NH2+]C3CC4=CC=C(Cl)C=C4C3)C2)CC1	REAL300018635547	0	47	0.0	-81.02	364.94	11.49	-69.53
O=C([O-])C1CCC2(CC([NH2+]CC3=CC4=C(C=N3)OCCO4)C2)CC1	REAL300018635548	0	48	0.0	-77.71	367.58	7.34	-70.37
O=C([O-])C1CCC2(CC([NH2+]CC3=CN=C4C=CC(Cl)=CN34)C2)CC1	REAL300018635549	0	46	0.0	-81.05	371.66	10.91	-70.14
CC1=CC=CN2C(C[NH2+]C3CC4(C3)CCC(C(=O)[O-])CC4)=CN=C12	REAL300018635550	0	49	0.0	-81.03	376.38	11.00	-70.03
CN1C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=CN=C1Cl	REAL300018635551	0	43	0.0	-82.66	344.42	8.85	-73.81
CN1C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=CN=C1Br	REAL300018635552	0	43	0.0	-82.51	348.71	8.87	-73.64
O=C([O-])C1CCC2(CC([NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)C2)CC1	REAL300018635553	0	49	0.0	-85.36	387.47	9.88	-75.48
O=C([O-])C1CCC2(CC([NH2+]CC3=CC(C(F)(F)F)=NN3)C2)CC1	REAL300018635554	0	43	0.0	-86.82	349.16	7.31	-79.51
O=C([O-])C1CCC2(CC([NH2+]CC3=CC4=C(F)C=CC=C4N3)C2)CC1	REAL300018635555	0	47	0.0	-81.69	366.49	9.99	-71.70
O=C([O-])C1CCC2(CC([NH2+]CC3=CC4=CC=C(F)C=C4N3)C2)CC1	REAL300018635556	0	47	0.0	-83.16	366.39	9.99	-73.17
CCOC1=CC=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=N1	REAL300018635557	0	49	0.0	-77.66	377.13	7.56	-70.10
CC1=C(Cl)C=CC=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635558	0	46	0.0	-77.02	357.55	10.97	-66.05
O=C([O-])C1CCC2(CC([NH2+]CC3=CC4=CC=NC=C4S3)C2)CC1	REAL300018635559	0	45	0.0	-80.67	360.22	9.72	-70.95
CC1=CC=CC2=NC=C(C[NH2+]C3CC4(C3)CCC(C(=O)[O-])CC4)N21	REAL300018635560	0	49	0.0	-79.26	363.55	10.73	-68.53
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635561	0	55	0.0	-82.34	411.97	10.70	-71.64
C=CCCCCCC(C)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635562	0	55	0.0	-72.09	402.29	11.98	-60.11
CC1=CC(Cl)=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635563	0	46	0.0	-77.28	366.24	11.14	-66.14
COCC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1	REAL300018635564	0	50	0.0	-77.55	381.63	9.65	-67.90
COCC(CC(C)(C)C)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635565	0	55	0.0	-66.95	385.37	9.40	-57.55
O=C([O-])C1CCC2(CC([NH2+]CC3=CC4=CC=CC(F)=C4N=C3)C2)CC1	REAL300018635566	0	48	0.0	-86.93	375.51	10.42	-76.51
CC1=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=CC2=CC=CN=C12	REAL300018635567	0	51	0.0	-82.19	389.33	11.16	-71.03
CC(C)C1CCCC([NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C1	REAL300018635568	0	55	0.0	-73.07	369.45	11.02	-62.05
CCCOC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1C	REAL300018635569	0	56	0.0	-77.23	421.08	11.76	-65.47
COC1=C(C)C=NC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1C	REAL300018635570	0	52	0.0	-76.13	390.68	8.79	-67.34
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635571	0	53	0.0	-73.34	401.93	11.61	-61.73
O=C([O-])C1CCC2(CC([NH2+]C3CCCCC34CCCC4)C2)CC1	REAL300018635572	0	56	0.0	-69.91	373.25	11.46	-58.45
CS(=O)(=O)C1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)S1	REAL300018635573	0	46	0.0	-86.47	381.17	6.66	-79.81
O=C([O-])C1CCC2(CC([NH2+]CC3=C4N=CC(Br)=CN4N=C3)C2)CC1	REAL300018635574	0	45	0.0	-75.84	372.00	9.51	-66.33
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CC4(C3)CCC(C(=O)[O-])CC4)O2)C=C1	REAL300018635575	0	62	0.0	-77.70	464.51	14.19	-63.51
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CC1CC([NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)CCN1CC1=CC=CC=C1	REAL300018635577	0	61	0.0	-73.81	424.83	10.42	-63.39
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CCOC1=CN=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635605	0	49	0.0	-79.78	374.38	8.38	-71.40
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CC([NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018635639	0	55	0.0	-70.46	413.36	12.33	-58.13
CCC1(CC)CCC([NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)CC1	REAL300018635640	0	58	0.0	-73.16	385.15	11.03	-62.13
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CC(CC1=COC2=CC=CC=C12)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635643	0	52	0.0	-72.49	386.46	11.54	-60.95
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CC(C)(C)C1CCCC([NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)CC1	REAL300018635659	0	61	0.0	-72.81	405.88	11.76	-61.05
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CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635669	0	60	0.0	-76.29	437.93	11.07	-65.22
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CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635704	0	52	0.0	-86.81	413.95	11.33	-75.48
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CC1=CC(F)=CC(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)=C1	REAL300018635719	0	46	0.0	-78.32	355.92	10.71	-67.61
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CC(C)(C)C1=CC=CC=C1C[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635721	0	55	0.0	-69.34	382.73	12.42	-56.92
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CC(C)CC1CCCC1[NH2+]C1CC2(C1)CCC(C(=O)[O-])CC2	REAL300018635737	0	55	0.0	-71.71	387.88	11.37	-60.34
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CC1=CC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C=C1O	REAL300018635745	0	47	0.0	-76.72	359.19	7.88	-68.84
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CN1C=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)C(C2CCC2)=N1	REAL300018635892	0	53	0.0	-79.43	399.30	10.40	-69.03
CC(C)(C)C1=NC=C(C[NH2+]C2CC3(C2)CCC(C(=O)[O-])CC3)O1	REAL300018635893	0	51	0.0	-78.46	387.35	7.47	-70.99
O=C([O-])C1=CC=CC=C1C1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635894	0	49	0.0	-55.50	366.95	12.42	-43.08
O=C([O-])C1=CC=CC=C1C1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635894	1	49	0.0	-60.12	365.04	11.65	-48.47
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635895	0	56	0.0	-64.85	421.66	13.43	-51.42
O=C([O-])C1=CC=C(COC2=CC=CC=C2C[N@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635895	1	56	0.0	-61.88	420.15	13.25	-48.63
O=C([O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCCC4(C=CCO4)CC3)O2)C=C1	REAL300018635896	0	49	0.0	-71.85	369.62	11.72	-60.13
O=C([O-])C1=CC=C(C2=CC=C(C[N@H+]3CCCC4(C=CCO4)CC3)O2)C=C1	REAL300018635896	1	49	0.0	-74.50	370.98	11.87	-62.63
O=C([O-])C1=CC=C(C2=CC=C(C[N@@H+]3CCCC4(C=CCO4)CC3)O2)C=C1	REAL300018635897	0	49	0.0	-71.85	369.62	11.72	-60.13
O=C([O-])C1=CC=C(C2=CC=C(C[N@H+]3CCCC4(C=CCO4)CC3)O2)C=C1	REAL300018635897	1	49	0.0	-74.50	370.98	11.87	-62.63
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[N@@H+]1CCCC2(C=CCO2)CC1	REAL300018635898	0	49	0.0	-53.02	363.20	10.24	-42.78
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[N@H+]1CCCC2(C=CCO2)CC1	REAL300018635898	1	49	0.0	-45.71	366.93	11.03	-34.68
CC1=CC(C[N@@H+]2CCCC3(C=CCO3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018635899	0	52	0.0	-73.29	386.11	11.75	-61.54
CC1=CC(C[N@H+]2CCCC3(C=CCO3)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018635899	1	52	0.0	-71.90	386.01	11.74	-60.16
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+]1CCCC2(C=CCO2)CC1	REAL300018635900	0	51	0.0	-64.84	372.43	9.51	-55.33
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+]1CCCC2(C=CCO2)CC1	REAL300018635900	1	51	0.0	-69.67	372.13	8.66	-61.01
O=C([O-])COC1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635901	0	46	0.0	-75.37	337.00	9.27	-66.10
O=C([O-])COC1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635901	1	46	0.0	-69.09	342.00	10.20	-58.89
O=C([O-])COC1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635902	0	46	0.0	-75.37	337.00	9.27	-66.10
O=C([O-])COC1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635902	1	46	0.0	-69.09	342.00	10.20	-58.89
CC(OC1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1)C(=O)[O-]	REAL300018635903	0	49	0.0	-76.00	354.87	9.86	-66.14
CC(OC1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)C=C1)C(=O)[O-]	REAL300018635903	1	49	0.0	-69.76	359.88	10.80	-58.96
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635904	0	49	0.0	-74.96	370.40	10.03	-64.93
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+]2CCCC3(C=CCO3)CC2)C=C1	REAL300018635904	1	49	0.0	-65.72	368.98	9.88	-55.84
O=C([O-])C=CC1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635905	0	43	0.0	-69.83	327.02	7.97	-61.86
O=C([O-])C=CC1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635905	1	43	0.0	-73.85	328.43	8.12	-65.73
O=C([O-])C1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1Cl	REAL300018635906	0	42	0.0	-71.26	323.44	10.31	-60.95
O=C([O-])C1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)C=C1Cl	REAL300018635906	1	42	0.0	-76.38	318.91	9.39	-66.99
O=C([O-])C1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C(C(F)(F)F)=C1	REAL300018635907	0	45	0.0	-64.26	338.04	10.63	-53.63
O=C([O-])C1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)C(C(F)(F)F)=C1	REAL300018635907	1	45	0.0	-58.54	338.62	10.82	-47.72
O=C([O-])C1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C=C1Br	REAL300018635908	0	42	0.0	-69.99	327.18	10.41	-59.58
O=C([O-])C1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)C=C1Br	REAL300018635908	1	42	0.0	-75.01	322.64	9.49	-65.52
CCC1=C(C(=O)[O-])C=C(C[N@@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635909	0	45	0.0	-61.50	333.23	9.66	-51.84
CCC1=C(C(=O)[O-])C=C(C[N@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635909	1	45	0.0	-67.56	331.37	8.92	-58.64
O=C([O-])CN1C=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C(C2=CC=CC=C2)=N1	REAL300018635910	0	52	0.0	-61.02	391.17	11.45	-49.57
O=C([O-])CN1C=C(C[N@H+]2CCCC3(C=CCO3)CC2)C(C2=CC=CC=C2)=N1	REAL300018635910	1	52	0.0	-65.92	387.18	11.33	-54.59
O=C([O-])CCC1=CC=C(C[N@@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635911	0	45	0.0	-64.53	336.47	9.84	-54.69
O=C([O-])CCC1=CC=C(C[N@H+]2CCCC3(C=CCO3)CC2)O1	REAL300018635911	1	45	0.0	-67.99	340.60	9.30	-58.69
O=C([O-])C1=CC(C[N@@H+]2CCCC3(C=CCO3)CC2)=CC=C1F	REAL300018635912	0	42	0.0	-73.96	315.49	9.94	-64.02
O=C([O-])C1=CC(C[N@H+]2CCCC3(C=CCO3)CC2)=CC=C1F	REAL300018635912	1	42	0.0	-75.90	318.77	9.27	-66.63
O=C([O-])C1=CC2=C(SC(C[N@@H+]3CCCC4(C=CCO4)CC3)=C2)S1	REAL300018635913	0	42	0.0	-72.23	339.48	10.66	-61.57
O=C([O-])C1=CC2=C(SC(C[N@H+]3CCCC4(C=CCO4)CC3)=C2)S1	REAL300018635913	1	42	0.0	-79.21	342.55	9.98	-69.23
O=C([O-])C1=C2N=CC(C[N@@H+]3CCCC4(C=CCO4)CC3)=CN2N=C1	REAL300018635914	0	44	0.0	-89.84	334.48	8.84	-81.00
O=C([O-])C1=C2N=CC(C[N@H+]3CCCC4(C=CCO4)CC3)=CN2N=C1	REAL300018635914	1	44	0.0	-96.49	336.23	8.08	-88.41
CC(OC1=CC=C(Cl)C=C1C[N@@H+]1CCCC2(C=CCO2)CC1)C(=O)[O-]	REAL300018635915	0	49	0.0	-50.51	376.13	11.46	-39.05
CC(OC1=CC=C(Cl)C=C1C[N@H+]1CCCC2(C=CCO2)CC1)C(=O)[O-]	REAL300018635915	1	49	0.0	-38.95	374.54	11.31	-27.64
O=C([O-])C1=CC(F)=C(C[N@@H+]2CCCC3(C=CCO3)CC2)C(F)=C1	REAL300018635916	0	42	0.0	-55.18	319.12	9.87	-45.31
O=C([O-])C1=CC(F)=C(C[N@H+]2CCCC3(C=CCO3)CC2)C(F)=C1	REAL300018635916	1	42	0.0	-59.72	314.90	9.00	-50.72
O=C([O-])C1=CN2C(C[N@@H+]3CCCC4(C=CCO4)CC3)=CN=C2C=C1	REAL300018635917	0	45	0.0	-60.05	339.06	10.32	-49.73
O=C([O-])C1=CN2C(C[N@H+]3CCCC4(C=CCO4)CC3)=CN=C2C=C1	REAL300018635917	1	45	0.0	-58.56	332.94	10.13	-48.43
CC1=CC(C(=O)[O-])=NC=C1C[N@@H+]1CCCC2(C=CCO2)CC1	REAL300018635918	0	44	0.0	-80.31	318.09	7.82	-72.49
CC1=CC(C(=O)[O-])=NC=C1C[N@H+]1CCCC2(C=CCO2)CC1	REAL300018635918	1	44	0.0	-80.73	326.27	8.06	-72.67
O=C([O-])C1=CN=C2C(C[N@@H+]3CCCC4(C=CCO4)CC3)=CC=CN12	REAL300018635919	0	45	0.0	-79.00	338.22	8.72	-70.28
O=C([O-])C1=CN=C2C(C[N@H+]3CCCC4(C=CCO4)CC3)=CC=CN12	REAL300018635919	1	45	0.0	-76.65	333.68	8.69	-67.96
O=C([O-])C1=CC=CC(C[N@@H+]2CCCC3(C=CCO3)CC2)=C1Br	REAL300018635920	0	42	0.0	-64.96	323.27	10.45	-54.51
O=C([O-])C1=CC=CC(C[N@H+]2CCCC3(C=CCO3)CC2)=C1Br	REAL300018635920	1	42	0.0	-54.87	321.68	10.30	-44.57
O=C([O-])[C@H]1C[C@H](N2C=CC(C[N@@H+]3CCCC4(C=CCO4)CC3)=N2)C1	REAL300018635921	0	49	0.0	-63.23	359.11	9.52	-53.71
O=C([O-])[C@H]1C[C@H](N2C=CC(C[N@H+]3CCCC4(C=CCO4)CC3)=N2)C1	REAL300018635921	1	49	0.0	-65.80	354.68	8.82	-56.98
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[N@@H+]2CCCC3(C=CCO3)CC2)C1	REAL300018635922	0	49	0.0	-77.89	354.99	8.88	-69.01
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[N@H+]2CCCC3(C=CCO3)CC2)C1	REAL300018635922	1	49	0.0	-69.41	358.98	9.74	-59.67
O=C([O-])C1=CC(C[N@@H+]2CCCC3(C=CCO3)CC2)=CC(C(F)(F)F)=C1	REAL300018635923	0	45	0.0	-61.04	349.94	10.93	-50.11
O=C([O-])C1=CC(C[N@H+]2CCCC3(C=CCO3)CC2)=CC(C(F)(F)F)=C1	REAL300018635923	1	45	0.0	-69.13	353.23	10.25	-58.88
O=C([O-])C1=CC=C(O)C(C[N@@H+]2CCCC3(C=CCO3)CC2)=C1	REAL300018635924	0	43	0.0	-58.05	320.37	7.38	-50.67
O=C([O-])C1=CC=C(O)C(C[N@H+]2CCCC3(C=CCO3)CC2)=C1	REAL300018635924	1	43	0.0	-59.91	319.46	7.21	-52.70
O=C([O-])C1=CC(Br)=CC(C[N@@H+]2CCCC3(C=CCO3)CC2)=C1	REAL300018635925	0	42	0.0	-60.25	332.22	10.52	-49.73
O=C([O-])C1=CC(Br)=CC(C[N@H+]2CCCC3(C=CCO3)CC2)=C1	REAL300018635925	1	42	0.0	-68.08	335.51	9.85	-58.23
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])C=C1	REAL300018635926	0	46	0.0	-74.57	362.89	10.42	-64.15
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018635927	1	53	0.0	-59.63	419.04	12.92	-46.71
CC1=C(C(=O)[O-])C=C(C[NH2+][C@H](C)C2=CC=CC=C2OC(C)C)O1	REAL300018635928	1	46	0.0	-63.80	363.94	9.38	-54.42
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=C(C(=O)[O-])OC=C1	REAL300018635929	0	43	0.0	-42.37	340.64	8.68	-33.69
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCN(CC(=O)[O-])CC1	REAL300018635930	0	51	0.0	-61.30	375.13	7.67	-53.63
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=CO1	REAL300018635931	1	43	0.0	-64.21	345.93	8.66	-55.55
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCC(C(=O)[O-])CC1	REAL300018635932	0	49	0.0	-56.81	354.04	9.96	-46.85
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018635934	1	43	0.0	-64.05	345.67	8.91	-55.14
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])O1	REAL300018635935	1	43	0.0	-64.05	345.67	8.91	-55.14
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018635936	1	53	0.0	-76.86	422.82	12.26	-64.60
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018635937	1	53	0.0	-76.86	422.82	12.26	-64.60
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCC(C(=O)[O-])CC1	REAL300018635938	0	49	0.0	-56.81	354.04	9.96	-46.85
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=CC(C(=O)[O-])=C1	REAL300018635939	0	46	0.0	-67.72	362.89	10.41	-57.31
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=NN1	REAL300018635940	1	43	0.0	-72.97	344.27	6.85	-66.12
CC1=CC(C[NH2+][C@H](C)C2=CC=CC=C2OC(C)C)=CC(C)=C1OCC(=O)[O-]	REAL300018635941	0	56	0.0	-76.86	438.04	12.24	-64.62
CC(C)OC1=CC=CC=C1[C@@H](C)NC1CC[NH+](CCCC(=O)[O-])CC1	REAL300018635942	0	57	0.0	-55.06	421.37	10.21	-44.85
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018635943	0	50	0.0	-73.08	393.95	10.70	-62.38
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018635944	0	50	0.0	-73.08	393.95	10.70	-62.38
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CSC(C(=O)[O-])=C1	REAL300018635945	0	43	0.0	-64.88	353.40	9.47	-55.41
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCC(CC(=O)[O-])CC1	REAL300018635946	0	52	0.0	-61.84	378.88	10.40	-51.44
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=NO1	REAL300018635947	1	42	0.0	-70.22	340.09	7.95	-62.27
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=CC(C(=O)[O-])=N1	REAL300018635948	1	45	0.0	-63.94	358.70	8.57	-55.37
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=NO1	REAL300018635949	1	42	0.0	-70.22	340.09	7.95	-62.27
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(OC(C)C(=O)[O-])C=C1	REAL300018635950	0	53	0.0	-74.22	411.84	11.30	-62.92
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCC(C(=O)[O-])C(C)C1	REAL300018635951	0	52	0.0	-64.08	377.95	10.30	-53.78
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C=CC(=O)[O-])O1	REAL300018635952	1	47	0.0	-75.37	380.16	8.51	-66.86
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1	REAL300018635953	0	52	0.0	-61.21	391.33	10.42	-50.79
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCC(C(F)(F)C(=O)[O-])C1	REAL300018635954	0	49	0.0	-60.62	376.15	10.17	-50.45
CC1=C(C[NH2+][C@H](C)C2=CC=CC=C2OC(C)C)C=C(C(=O)[O-])O1	REAL300018635955	0	46	0.0	-67.43	364.67	9.55	-57.88
CC1=C(C(=O)[O-])OC(C[NH2+][C@H](C)C2=CC=CC=C2OC(C)C)=C1	REAL300018635956	1	46	0.0	-64.09	363.66	9.50	-54.59
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018635957	0	46	0.0	-73.84	375.37	10.81	-63.03
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C(C)CC(C)(C)CC(=O)[O-]	REAL300018635958	0	54	0.0	-63.07	379.12	9.95	-53.12
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCC(CC(=O)[O-])C1C	REAL300018635959	0	52	0.0	-62.87	383.06	10.32	-52.55
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CN(C)N=C1C(=O)[O-]	REAL300018635960	0	46	0.0	-51.51	362.83	8.25	-43.26
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018635961	0	46	0.0	-72.45	379.11	10.90	-61.55
CCC1=C(C(=O)[O-])C=C(C[NH2+][C@H](C)C2=CC=CC=C2OC(C)C)O1	REAL300018635962	1	49	0.0	-64.17	385.42	10.16	-54.01
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CCCC(CCCC(=O)[O-])C1	REAL300018635963	0	58	0.0	-65.62	417.10	12.25	-53.37
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C(C)CCCC(C)(C)C(=O)[O-]	REAL300018635964	0	57	0.0	-65.40	413.60	11.15	-54.25
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])C=N1	REAL300018635965	1	45	0.0	-65.00	358.02	8.57	-56.43
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018635966	0	53	0.0	-52.03	399.37	11.81	-40.22
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=NN1C	REAL300018635967	1	46	0.0	-76.54	364.72	8.08	-68.46
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(CCC(=O)[O-])O1	REAL300018635968	1	49	0.0	-64.88	387.67	10.29	-54.59
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018635969	0	46	0.0	-72.17	367.42	10.44	-61.73
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C1CC(CCC(=O)[O-])C1	REAL300018635970	0	49	0.0	-62.26	371.43	10.15	-52.11
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018635971	0	46	0.0	-75.88	391.13	11.10	-64.78
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018635972	1	48	0.0	-92.62	385.65	9.38	-83.24
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=C(C(=O)[O-])N=C1	REAL300018635973	0	45	0.0	-77.13	358.56	8.63	-68.50
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018635974	0	49	0.0	-57.43	389.74	10.83	-46.60
CC1=CC(C(=O)[O-])=NC=C1C[NH2+][C@H](C)C1=CC=CC=C1OC(C)C	REAL300018635975	0	48	0.0	-76.45	373.80	9.24	-67.21
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](C(=O)[O-])C1	REAL300018635976	0	49	0.0	-67.50	367.45	10.07	-57.43
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018635977	0	49	0.0	-71.59	387.60	10.69	-60.90
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018635978	1	46	0.0	-61.33	374.08	10.84	-50.49
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018635980	0	53	0.0	-74.15	409.95	10.30	-63.85
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018635981	0	49	0.0	-65.02	401.56	11.40	-53.62
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(C(=O)[O-])=CC=C1O	REAL300018635982	0	47	0.0	-65.17	370.46	7.81	-57.36
CC(C)OC1=CC=CC=C1[C@@H](C)[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018635983	0	46	0.0	-63.74	384.16	11.03	-52.71
CC(C)C1COCC[N@H+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018635984	0	50	0.0	-59.39	375.07	11.54	-47.85
CC(C)C1COCC[N@@H+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)C1	REAL300018635984	1	50	0.0	-58.13	371.83	11.81	-46.32
CC(C)C1COCC[N@H+](CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018635985	0	57	0.0	-65.08	426.02	12.65	-52.43
CC(C)C1COCC[N@@H+](CC2=CC=CC=C2OCC2=CC=C(C(=O)[O-])C=C2)C1	REAL300018635985	1	57	0.0	-67.40	424.14	12.15	-55.25
CC(C)C1COCC[N@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018635986	0	50	0.0	-76.10	378.82	10.94	-65.16
CC(C)C1COCC[N@@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018635986	1	50	0.0	-76.14	375.87	11.15	-64.99
CC(C)C1COCC[N@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018635987	0	50	0.0	-76.10	378.82	10.94	-65.16
CC(C)C1COCC[N@@H+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)C1	REAL300018635987	1	50	0.0	-76.14	375.87	11.15	-64.99
CC(C)C1COCC[N@H+](CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018635988	0	50	0.0	-57.70	374.22	10.02	-47.68
CC(C)C1COCC[N@@H+](CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])C1	REAL300018635988	1	50	0.0	-56.52	373.82	10.20	-46.32
CC1=CC(C[N@H+]2CCOCC(C(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018635989	0	53	0.0	-74.52	392.53	10.77	-63.75
CC1=CC(C[N@@H+]2CCOCC(C(C)C)C2)=CC(C)=C1OCC(=O)[O-]	REAL300018635989	1	53	0.0	-75.66	390.12	11.07	-64.59
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@H+]1CCOCC(C(C)C)C1	REAL300018635990	0	52	0.0	-66.03	376.35	8.40	-57.63
CC1=NN(CCC(=O)[O-])C(C)=C1C[N@@H+]1CCOCC(C(C)C)C1	REAL300018635990	1	52	0.0	-65.86	376.51	8.84	-57.02
CC(C)C1COCC[N@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018635991	0	47	0.0	-71.66	346.95	9.09	-62.57
CC(C)C1COCC[N@@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018635991	1	47	0.0	-71.79	346.07	9.53	-62.26
CC(C)C1COCC[N@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018635992	0	47	0.0	-71.66	346.95	9.09	-62.57
CC(C)C1COCC[N@@H+](CC2=CC=C(OCC(=O)[O-])C=C2)C1	REAL300018635992	1	47	0.0	-71.79	346.07	9.53	-62.26
CC(C)C1COCC[N@H+](CC2=CC=C(OC(C)C(=O)[O-])C=C2)C1	REAL300018635993	0	50	0.0	-72.16	364.82	9.69	-62.47
CC(C)C1COCC[N@@H+](CC2=CC=C(OC(C)C(=O)[O-])C=C2)C1	REAL300018635993	1	50	0.0	-72.27	364.68	10.18	-62.09
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@@H+]2CCOCC(C(C)C)C2)C=C1	REAL300018635994	0	50	0.0	-71.57	376.20	9.35	-62.22
COC1=C2OC(C(=O)[O-])=CC2=C(C[N@H+]2CCOCC(C(C)C)C2)C=C1	REAL300018635994	1	50	0.0	-69.78	376.94	8.97	-60.81
CC(C)C1COCC[N@H+](CC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300018635995	0	43	0.0	-72.82	328.41	9.21	-63.61
CC(C)C1COCC[N@@H+](CC2=CC=C(C(=O)[O-])C(Cl)=C2)C1	REAL300018635995	1	43	0.0	-74.20	325.73	9.04	-65.16
CC(C)C1COCC[N@H+](CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018635996	0	46	0.0	-62.67	343.43	10.22	-52.45
CC(C)C1COCC[N@@H+](CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)C1	REAL300018635996	1	46	0.0	-67.18	341.17	9.44	-57.74
CC(C)C1COCC[N@H+](CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018635997	0	43	0.0	-71.47	332.14	9.30	-62.17
CC(C)C1COCC[N@@H+](CC2=CC=C(C(=O)[O-])C(Br)=C2)C1	REAL300018635997	1	43	0.0	-72.81	329.46	9.14	-63.67
CC(C)C1COCC[N@H+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018635998	0	53	0.0	-67.09	391.85	10.32	-56.77
CC(C)C1COCC[N@@H+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)C1	REAL300018635998	1	53	0.0	-66.05	398.09	10.55	-55.50
CC(C)C1COCC[N@H+](CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C1	REAL300018635999	0	43	0.0	-74.91	343.82	9.95	-64.96
CC(C)C1COCC[N@@H+](CC2=CC3=C(S2)SC(C(=O)[O-])=C3)C1	REAL300018635999	1	43	0.0	-76.34	341.79	9.36	-66.98
CC(C)C1COCC[N@H+](CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018636000	0	45	0.0	-90.96	338.01	7.68	-83.28
CC(C)C1COCC[N@@H+](CC2=CN3N=CC(C(=O)[O-])=C3N=C2)C1	REAL300018636000	1	45	0.0	-93.42	336.73	7.55	-85.87
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])CC2(CCC2)C1	REAL300018642132	0	42	0.0	-36.24	344.74	10.71	-25.53
CC1(C)CC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC(C)(C)C1	REAL300018642133	0	55	0.0	-34.18	378.23	10.90	-23.28
O=C([O-])C1(C[NH2+]C2CCC3=CC(Br)=CC=C3C2)CC2(CCC2)C1	REAL300018642134	0	47	0.0	-45.22	368.04	11.65	-33.57
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642135	0	53	0.0	-38.04	397.32	11.78	-26.26
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(Cl)=C1OC	REAL300018642136	0	48	0.0	-42.05	382.98	9.30	-32.75
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CC2(CCC2)C1	REAL300018642137	0	47	0.0	-41.88	375.58	12.23	-29.65
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3S2)CC2(CCC2)C1	REAL300018642138	0	43	0.0	-43.38	345.60	11.16	-32.22
CC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642139	0	50	0.0	-42.26	377.50	10.46	-31.80
CCCCCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642140	0	62	0.0	-41.30	467.06	13.76	-27.54
CC(C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018642141	0	61	0.0	-46.10	441.35	13.91	-32.19
O=C([O-])C1(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)CC2(CCC2)C1	REAL300018642142	0	39	0.0	-48.41	328.50	9.41	-39.00
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2N2CCOCC2)CC2(CCC2)C1	REAL300018642143	0	53	0.0	-35.90	393.99	9.19	-26.71
CC(C)CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642144	0	52	0.0	-39.00	389.41	12.30	-26.70
CC1=CC=C(C2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=C2)C=C1	REAL300018642145	0	53	0.0	-41.98	404.06	13.69	-28.29
COC1=CC=C(Br)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642146	0	44	0.0	-38.60	353.33	9.48	-29.12
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1[N+](=O)[O-]	REAL300018642147	0	46	0.0	-50.23	363.74	10.35	-39.88
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)CC2(CCC2)C1	REAL300018642148	0	40	0.0	-43.08	341.68	10.62	-32.46
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642149	0	53	0.0	-41.94	404.51	13.69	-28.25
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC(F)F)=C2)CC2(CCC2)C1	REAL300018642150	0	44	0.0	-45.00	347.47	9.21	-35.79
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=C(C(F)(F)F)C=C2)CC2(CCC2)C1	REAL300018642151	0	50	0.0	-55.17	404.83	10.36	-44.81
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OCC	REAL300018642152	0	54	0.0	-45.51	410.67	10.65	-34.86
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)CC2(CCC2)C1	REAL300018642153	0	43	0.0	-45.12	360.11	11.04	-34.08
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C=C2Br)CC2(CCC2)C1	REAL300018642154	0	40	0.0	-38.96	333.62	10.27	-28.69
O=C([O-])C1(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)CC2(CCC2)C1	REAL300018642155	0	43	0.0	-50.23	348.08	8.71	-41.52
O=C([O-])C1(C[NH2+]CC2=CC=NC3=CC=CC=C23)CC2(CCC2)C1	REAL300018642156	0	45	0.0	-49.95	345.27	9.86	-40.09
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)CC2(CCC2)C1	REAL300018642157	0	44	0.0	-44.67	354.21	9.42	-35.25
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642158	0	46	0.0	-51.97	368.90	7.15	-44.82
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642159	0	54	0.0	-43.06	416.45	12.68	-30.38
CC(CCOCC1=CC=CC=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642160	0	53	0.0	-43.64	399.21	10.95	-32.69
O=C([O-])C1(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)CC2(CCC2)C1	REAL300018642161	0	47	0.0	-46.69	369.48	11.84	-34.85
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CC2(CCC2)C1	REAL300018642162	0	50	0.0	-42.57	399.15	13.56	-29.01
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CC2(CCC2)C1	REAL300018642163	0	50	0.0	-42.31	399.39	13.54	-28.77
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC(C(F)(F)F)=C3)O2)CC2(CCC2)C1	REAL300018642164	0	50	0.0	-47.29	407.50	12.52	-34.77
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C2=CC=CC=C12	REAL300018642165	0	50	0.0	-46.38	378.17	11.07	-35.31
CN1C2=CC=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642166	0	46	0.0	-49.99	355.70	9.98	-40.01
O=C([O-])C1(C[NH2+]CC2=CC=C3OCCC3=C2)CC2(CCC2)C1	REAL300018642167	0	45	0.0	-43.26	344.10	9.45	-33.81
O=C([O-])C1(C[NH2+]CC2=CSC(Br)=C2)CC2(CCC2)C1	REAL300018642168	0	37	0.0	-42.67	320.10	9.29	-33.38
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OCC1=CC=CN=C1	REAL300018642169	0	57	0.0	-49.32	443.56	11.00	-38.32
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)CC2(CCC2)C1	REAL300018642170	0	53	0.0	-38.05	415.67	11.25	-26.80
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C(C2=CC=CC=C2)C=C1OC	REAL300018642171	0	58	0.0	-46.38	442.21	12.27	-34.11
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)CC2(CCC2)C1	REAL300018642172	0	53	0.0	-37.41	415.68	11.22	-26.19
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)CC2(CCC2)C1	REAL300018642173	0	51	0.0	-45.36	382.14	9.52	-35.84
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642174	0	48	0.0	-50.42	381.83	6.35	-44.07
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)CC2(CCC2)C1	REAL300018642175	0	43	0.0	-39.36	347.78	8.71	-30.65
CC1(C)CCC2=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CC=C2O1	REAL300018642176	0	54	0.0	-41.25	399.04	11.43	-29.82
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642177	0	55	0.0	-38.57	385.72	12.39	-26.18
CN(C)C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642178	0	48	0.0	-35.84	362.04	9.71	-26.13
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)CC2(CCC2)C1	REAL300018642179	0	49	0.0	-44.64	377.68	11.25	-33.39
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)CC2(CCC2)C1	REAL300018642180	0	49	0.0	-44.97	377.63	11.27	-33.70
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CC(C)OC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642240	0	50	0.0	-42.45	377.51	10.46	-31.99
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018642241	0	53	0.0	-39.19	417.10	11.64	-27.55
CC1=CC=C(C2=NC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CS2)C=C1	REAL300018642242	0	49	0.0	-44.31	394.46	11.08	-33.23
CC(C)C1=NC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CS1	REAL300018642243	0	45	0.0	-42.34	355.98	8.65	-33.69
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O=C([O-])C1(C[NH2+]CC2=CSC(COC3=CC=CC=C3)=N2)CC2(CCC2)C1	REAL300018642246	0	50	0.0	-47.53	404.65	9.93	-37.60
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642247	0	49	0.0	-37.80	371.82	11.80	-26.00
CC1=CC=CC(CCC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642248	0	52	0.0	-36.97	386.81	12.39	-24.58
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642249	0	52	0.0	-37.66	404.14	12.72	-24.94
CC1=CC=C(CCC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642250	0	52	0.0	-38.72	386.81	12.40	-26.32
O=C([O-])C1(C[NH2+]C2CCN(CC3=C(F)C=CC=C3Cl)CC2)CC2(CCC2)C1	REAL300018642251	0	55	0.0	-38.45	414.29	10.26	-28.19
CC(C1=CC=CC=C1)N1CCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300018642252	0	55	0.0	-37.40	404.26	10.32	-27.08
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018642253	0	52	0.0	-60.63	417.29	11.34	-49.29
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CC1=CC=C(OCC2=NC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CS2)C=C1	REAL300018642255	0	53	0.0	-47.47	426.06	10.61	-36.86
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642256	0	63	0.0	-41.82	469.10	13.99	-27.83
CC(C)(C)C1=NC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CS1	REAL300018642257	0	48	0.0	-41.86	374.92	9.16	-32.70
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O=C([O-])C1(C[NH2+]C2CCN(C3=CC=C(F)C=C3F)CC2)CC2(CCC2)C1	REAL300018642260	0	52	0.0	-39.44	385.52	9.97	-29.47
O=C([O-])C1(C[NH2+]CC2=CC3=NC=CN=C3C=C2)CC2(CCC2)C1	REAL300018642261	0	44	0.0	-49.30	344.26	8.03	-41.27
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OC2CCCC2)CC2(CCC2)C1	REAL300018642262	0	54	0.0	-36.07	403.60	11.93	-24.14
O=C([O-])C1(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)CC2(CCC2)C1	REAL300018642263	0	43	0.0	-46.52	351.91	10.63	-35.89
CC(C)(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300018642264	0	48	0.0	-44.89	375.68	9.38	-35.51
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642266	0	57	0.0	-41.82	440.36	10.54	-31.28
CC1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)S2)C=C1	REAL300018642267	0	50	0.0	-42.31	397.70	13.07	-29.24
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COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642269	0	44	0.0	-42.24	373.27	10.10	-32.14
C#CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642270	0	46	0.0	-43.43	365.35	10.39	-33.04
CCC(CCC1=CC=C(Br)C=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642271	0	52	0.0	-36.62	400.00	12.92	-23.70
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC(F)=CC(F)=C3)C=C2)CC2(CCC2)C1	REAL300018642272	0	51	0.0	-43.72	409.73	12.62	-31.10
CCOC1=C(OC)C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OC	REAL300018642273	0	55	0.0	-48.40	421.97	9.67	-38.73
O=C([O-])C1(C[NH2+]C2CCN(CC3=CC=NC=C3)CC2)CC2(CCC2)C1	REAL300018642274	0	54	0.0	-37.47	395.48	8.41	-29.06
COCCCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642276	0	54	0.0	-41.05	414.74	9.71	-31.34
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1SC	REAL300018642277	0	48	0.0	-45.50	377.13	9.96	-35.54
CCC(C)OC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1OC	REAL300018642278	0	57	0.0	-44.91	427.50	11.15	-33.76
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COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OCCC(C)C	REAL300018642280	0	60	0.0	-45.05	449.38	11.85	-33.20
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O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)CC2(CCC2)C1	REAL300018642283	0	47	0.0	-47.18	367.61	9.55	-37.63
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642284	0	49	0.0	-50.42	386.59	10.48	-39.94
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642285	0	50	0.0	-41.30	405.63	8.13	-33.17
CCCC(CC1=CC=CC=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642286	0	52	0.0	-37.53	382.45	12.34	-25.19
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=CC=C3)N=N2)CC2(CCC2)C1	REAL300018642287	0	46	0.0	-52.68	361.12	9.45	-43.23
O=C([O-])C1(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)CC2(CCC2)C1	REAL300018642288	0	46	0.0	-39.02	371.60	10.38	-28.64
CCN1N=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C	REAL300018642289	0	49	0.0	-44.60	370.89	9.22	-35.38
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642290	0	52	0.0	-42.12	404.14	12.74	-29.38
C=CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1Cl	REAL300018642291	0	48	0.0	-46.26	388.51	10.97	-35.29
O=C([O-])C1(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)CC2(CCC2)C1	REAL300018642292	0	46	0.0	-47.27	373.87	10.62	-36.65
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642293	0	53	0.0	-36.53	388.84	10.38	-26.15
CC(C)CCC1CCCC1[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642294	0	55	0.0	-34.46	391.06	11.77	-22.69
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C2OC(C)CC2=C1	REAL300018642295	0	52	0.0	-39.27	397.18	9.52	-29.75
CN1N=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C2=CC=CC=C21	REAL300018642296	0	46	0.0	-45.19	358.16	9.54	-35.65
CN(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1F	REAL300018642297	0	48	0.0	-42.96	369.29	9.16	-33.80
O=C([O-])C1(C[NH2+]CC2=NC=CN2CC(F)(F)F)CC2(CCC2)C1	REAL300018642298	0	43	0.0	-47.02	345.78	9.11	-37.91
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642300	0	55	0.0	-35.28	403.79	13.04	-22.24
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=C4OCOC4=C3)=N2)CC2(CCC2)C1	REAL300018642301	0	49	0.0	-46.57	399.11	9.07	-37.50
CC1(C)CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CC=C2O1	REAL300018642302	0	51	0.0	-42.59	385.62	10.86	-31.73
O=C([O-])C1(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)CC2(CCC2)C1	REAL300018642303	0	46	0.0	-46.96	365.11	8.05	-38.91
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)CC2(CCC2)C1	REAL300018642304	0	43	0.0	-46.34	367.41	9.49	-36.85
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642305	0	50	0.0	-50.11	388.55	10.19	-39.92
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC(C(F)(F)F)=C1	REAL300018642306	0	47	0.0	-44.70	376.77	9.92	-34.78
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=C2Cl)CC2(CCC2)C1	REAL300018642307	0	40	0.0	-38.86	344.93	10.72	-28.14
CN(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)N1C	REAL300018642308	0	48	0.0	-47.30	367.99	8.62	-38.68
O=C([O-])C1(C[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)CC2(CCC2)C1	REAL300018642309	0	47	0.0	-50.80	367.13	9.93	-40.87
CC(C)COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642310	0	53	0.0	-41.14	401.17	11.34	-29.80
COCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642311	0	51	0.0	-43.09	393.19	9.11	-33.98
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642312	0	49	0.0	-35.85	375.67	12.19	-23.66
CC(C)CC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642313	0	55	0.0	-41.49	424.56	14.08	-27.41
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)CC2(CCC2)C1	REAL300018642314	0	44	0.0	-46.29	363.50	9.74	-36.55
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=CC([N+](=O)[O-])=C3)=N2)CC2(CCC2)C1	REAL300018642315	0	48	0.0	-47.39	401.26	11.07	-36.32
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642316	0	51	0.0	-40.60	378.20	10.69	-29.91
CC1=CC=CC=C1CC(C)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642317	0	49	0.0	-40.00	359.05	11.37	-28.63
CC1=CC=CC(CC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642318	0	49	0.0	-38.32	364.66	11.60	-26.72
COC1=CC2=C(C=C1C[NH2+]CC1(C(=O)[O-])CC3(CCC3)C1)OCO2	REAL300018642319	0	47	0.0	-42.84	365.03	7.69	-35.15
COC1=CC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OC	REAL300018642320	0	48	0.0	-49.66	378.96	9.20	-40.46
CC(C)COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642321	0	53	0.0	-39.25	401.17	11.34	-27.91
O=C([O-])C1(C[NH2+]CC2=CC=C(OCCN3CCOCC3)C=C2)CC2(CCC2)C1	REAL300018642322	0	60	0.0	-42.79	448.24	8.48	-34.31
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)CC2(CCC2)C1	REAL300018642323	0	46	0.0	-48.51	355.36	11.76	-36.75
C=CCOC1=C(Cl)C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OC	REAL300018642324	0	52	0.0	-48.58	421.68	10.98	-37.60
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1CN1C=CC=N1	REAL300018642325	0	54	0.0	-46.94	420.44	10.61	-36.33
CC(C)COC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642326	0	53	0.0	-34.53	399.80	11.39	-23.14
CC1(C)CC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=C2O1	REAL300018642327	0	51	0.0	-38.04	386.12	10.82	-27.22
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=NC=C2Cl)CC2(CCC2)C1	REAL300018642328	0	39	0.0	-40.84	331.84	8.57	-32.27
O=C([O-])C1(C[NH2+]CC2=NC3=C(CCCC3)S2)CC2(CCC2)C1	REAL300018642329	0	46	0.0	-37.14	356.97	9.36	-27.78
O=C([O-])C1(C[NH2+]CC2=CC=NC=C2Br)CC2(CCC2)C1	REAL300018642330	0	39	0.0	-45.91	321.79	8.47	-37.44
CC(C)(C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1)N1CCOCC1	REAL300018642331	0	52	0.0	-37.62	362.01	6.47	-31.15
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(Br)=C2)CC2(CCC2)C1	REAL300018642332	0	40	0.0	-43.84	335.92	10.30	-33.54
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642333	0	46	0.0	-37.23	363.71	11.34	-25.89
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2=CC=CC=C2)=N1	REAL300018642334	0	50	0.0	-42.20	387.74	10.77	-31.43
O=C([O-])C1(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)CC2(CCC2)C1	REAL300018642335	0	47	0.0	-47.66	366.81	10.81	-36.85
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC2(CCC2)C1	REAL300018642336	0	45	0.0	-43.02	369.77	11.26	-31.76
O=C([O-])C1(C[NH2+]CC2=CC3=CC=NC=C3C=C2)CC2(CCC2)C1	REAL300018642337	0	45	0.0	-45.70	349.45	10.09	-35.61
CC1=C(Br)SC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642338	0	40	0.0	-43.16	339.70	10.05	-33.11
O=C([O-])C1(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)CC2(CCC2)C1	REAL300018642339	0	43	0.0	-45.81	357.38	10.75	-35.06
CS(=O)(=O)N1CCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300018642340	0	48	0.0	-47.12	362.18	5.40	-41.72
COC1=CC(F)=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642341	0	44	0.0	-43.25	344.13	8.98	-34.27
CC(C)(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=N1	REAL300018642342	0	50	0.0	-51.08	380.01	9.48	-41.60
COC1=CC=CC=C1N1CCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300018642343	0	56	0.0	-40.36	404.36	9.51	-30.85
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(Cl)=C1	REAL300018642344	0	43	0.0	-36.36	345.04	10.77	-25.59
COC1=CC=C(OC(F)F)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642345	0	48	0.0	-41.10	375.82	8.52	-32.58
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)CC2(CCC2)C1	REAL300018642346	0	44	0.0	-38.16	360.41	9.65	-28.51
O=C([O-])C1(C[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)CC2(CCC2)C1	REAL300018642347	0	42	0.0	-55.32	348.89	10.65	-44.67
O=C([O-])C1(C[NH2+]CCC2=CC=CC(Cl)=C2)CC2(CCC2)C1	REAL300018642348	0	43	0.0	-40.69	346.69	10.90	-29.79
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCCCC3=CC=CC=C3)=C2)CC2(CCC2)C1	REAL300018642349	0	60	0.0	-40.96	462.48	14.45	-26.51
O=C([O-])C1(C[NH2+]C2CCCC2C2=CC=CC=C2)CC2(CCC2)C1	REAL300018642350	0	50	0.0	-34.52	366.71	11.89	-22.63
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1OC1=CC=CN=C1	REAL300018642351	0	53	0.0	-43.31	413.52	11.49	-31.82
CC(CC1=CC=C(F)C=C1Br)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642352	0	46	0.0	-36.92	367.21	11.40	-25.52
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)S2)C=C1	REAL300018642353	0	49	0.0	-47.29	395.27	11.30	-35.99
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)CC2(CCC2)C1	REAL300018642354	0	45	0.0	-36.71	364.73	10.65	-26.06
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)CC2(CCC2)C1	REAL300018642355	0	45	0.0	-34.43	362.19	10.54	-23.89
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)CC2(CCC2)C1	REAL300018642356	0	45	0.0	-40.06	356.36	10.22	-29.84
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)CC2(CCC2)C1	REAL300018642357	0	45	0.0	-37.55	354.44	10.20	-27.35
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)CC2(CCC2)C1	REAL300018642358	0	45	0.0	-39.39	365.21	10.61	-28.78
CS(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642359	0	45	0.0	-48.81	360.42	8.22	-40.59
O=C([O-])C1(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)CC2(CCC2)C1	REAL300018642360	0	42	0.0	-46.49	351.86	10.78	-35.71
CC(C)CCN1C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642361	0	53	0.0	-40.52	395.27	12.00	-28.52
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=C(F)C=CC=C3F)O2)CC2(CCC2)C1	REAL300018642362	0	47	0.0	-46.89	382.95	11.68	-35.21
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300018642363	0	50	0.0	-44.91	395.41	12.25	-32.66
CCC1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)O2)C=C1	REAL300018642364	0	53	0.0	-44.51	411.34	12.95	-31.56
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(OC(F)F)=C1	REAL300018642365	0	48	0.0	-44.75	378.29	8.59	-36.16
CCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2=CC=CC=C2)=N1	REAL300018642366	0	53	0.0	-51.83	410.63	11.53	-40.30
O=C([O-])C1(C[NH2+]CC2=CC=C3CCCCC3=C2)CC2(CCC2)C1	REAL300018642367	0	50	0.0	-44.80	371.08	12.02	-32.78
O=C([O-])C1(C[NH2+]C2CCC(C3CCCCC3)CC2)CC2(CCC2)C1	REAL300018642368	0	59	0.0	-34.58	404.87	12.59	-21.99
CC1=CC=C(C(C)C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642369	0	49	0.0	-37.02	365.86	11.59	-25.43
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1C(C)(C)C	REAL300018642370	0	56	0.0	-40.76	408.88	11.60	-29.16
CC(C)(C)OC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642371	0	53	0.0	-41.96	388.85	10.75	-31.21
NS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642372	0	45	0.0	-51.74	362.44	4.58	-47.16
O=C([O-])C1(C[NH2+]C2CCC3=CC=CC(Cl)=C3C2)CC2(CCC2)C1	REAL300018642373	0	47	0.0	-45.26	360.84	11.48	-33.78
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1	REAL300018642374	0	50	0.0	-42.46	377.05	10.50	-31.96
COC1=CC(C)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642375	0	47	0.0	-35.24	357.77	9.63	-25.61
O=C([O-])C1(C[NH2+]CC2CCC3=CC=CC=C3C2)CC2(CCC2)C1	REAL300018642376	0	50	0.0	-47.66	367.91	11.98	-35.68
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642377	0	42	0.0	-44.57	352.59	8.75	-35.82
O=C([O-])C1(C[NH2+]C2CCC(C3=CC=C(F)C=C3)C2)CC2(CCC2)C1	REAL300018642378	0	50	0.0	-40.38	374.89	11.99	-28.39
COCC1=CSC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642379	0	44	0.0	-42.06	356.45	8.50	-33.56
CCCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300018642380	0	46	0.0	-39.34	363.54	11.07	-28.27
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=CC=C1[N+](=O)[O-]	REAL300018642381	0	45	0.0	-46.76	346.07	10.73	-36.03
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1Br	REAL300018642382	0	43	0.0	-42.51	347.71	10.80	-31.71
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1Cl	REAL300018642383	0	44	0.0	-45.18	353.75	9.46	-35.72
COC1=CC=CC(C)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642384	0	47	0.0	-34.11	353.61	9.49	-24.62
O=C([O-])C1(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)CC2(CCC2)C1	REAL300018642385	0	47	0.0	-46.42	367.10	10.74	-35.68
O=C([O-])C1(C[NH2+]CC2=CN=C(C(F)(F)F)S2)CC2(CCC2)C1	REAL300018642386	0	39	0.0	-51.28	334.91	8.00	-43.28
O=C([O-])C1(C[NH2+]CC2=NN3CCCCC3=C2)CC2(CCC2)C1	REAL300018642387	0	47	0.0	-43.01	352.81	8.95	-34.06
O=C([O-])C1(C[NH2+]C2CC3=CC=C(Cl)C=C3C2)CC2(CCC2)C1	REAL300018642388	0	44	0.0	-39.96	346.96	11.19	-28.77
O=C([O-])C1(C[NH2+]CC2=CC3=C(C=N2)OCCO3)CC2(CCC2)C1	REAL300018642389	0	45	0.0	-45.00	347.64	6.99	-38.01
O=C([O-])C1(C[NH2+]CC2=CN=C3C=CC(Cl)=CN23)CC2(CCC2)C1	REAL300018642390	0	43	0.0	-49.36	351.94	10.47	-38.89
CC1=CC=CN2C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CN=C12	REAL300018642391	0	46	0.0	-48.70	356.66	10.56	-38.14
CN1C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CN=C1Br	REAL300018642392	0	40	0.0	-44.74	329.08	8.50	-36.24
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=N2)CC2(CCC2)C1	REAL300018642393	0	46	0.0	-53.65	367.53	9.53	-44.12
O=C([O-])C1(C[NH2+]CC2=CC(C(F)(F)F)=NN2)CC2(CCC2)C1	REAL300018642394	0	40	0.0	-53.82	329.44	6.87	-46.95
O=C([O-])C1(C[NH2+]CC2=CC3=C(F)C=CC=C3N2)CC2(CCC2)C1	REAL300018642395	0	44	0.0	-52.06	347.23	9.61	-42.45
O=C([O-])C1(C[NH2+]CC2=CC3=CC=C(F)C=C3N2)CC2(CCC2)C1	REAL300018642396	0	44	0.0	-45.85	346.74	9.62	-36.23
CCOC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=N1	REAL300018642397	0	46	0.0	-45.28	357.24	7.21	-38.07
CC1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642398	0	43	0.0	-39.45	337.33	10.66	-28.79
O=C([O-])C1(C[NH2+]CC2=CC3=CC=NC=C3S2)CC2(CCC2)C1	REAL300018642399	0	42	0.0	-48.01	343.06	9.42	-38.59
CC1=CC=CC2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)N21	REAL300018642400	0	46	0.0	-46.04	348.26	10.47	-35.57
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642401	0	52	0.0	-45.20	392.50	10.33	-34.87
CC1=CC(Cl)=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642402	0	43	0.0	-40.12	346.35	10.78	-29.34
COCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642403	0	47	0.0	-41.28	363.28	9.36	-31.92
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC(F)=C3N=C2)CC2(CCC2)C1	REAL300018642404	0	45	0.0	-48.47	355.63	10.05	-38.42
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC2=CC=CN=C12	REAL300018642405	0	48	0.0	-45.14	369.45	10.81	-34.33
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1C	REAL300018642406	0	53	0.0	-41.77	401.15	11.39	-30.38
COC1=C(C)C=NC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C	REAL300018642407	0	49	0.0	-41.96	370.06	8.44	-33.52
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642408	0	50	0.0	-37.67	382.03	11.27	-26.40
O=C([O-])C1(C[NH2+]C2CCCCC23CCCC3)CC2(CCC2)C1	REAL300018642409	0	53	0.0	-35.08	361.28	11.37	-23.71
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300018642410	0	43	0.0	-57.49	361.93	6.28	-51.21
O=C([O-])C1(C[NH2+]CC2=C3N=CC(Br)=CN3N=C2)CC2(CCC2)C1	REAL300018642411	0	42	0.0	-42.82	352.75	9.13	-33.69
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)O2)C=C1	REAL300018642412	0	59	0.0	-44.27	444.57	13.82	-30.45
CC1CC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CCN1CC1=CC=CC=C1	REAL300018642413	0	58	0.0	-38.54	416.89	10.56	-27.98
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642414	0	60	0.0	-38.04	435.05	12.47	-25.57
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642415	0	60	0.0	-36.63	450.89	12.72	-23.91
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)F)C=C2)CC2(CCC2)C1	REAL300018642416	0	43	0.0	-42.82	342.38	10.56	-32.26
O=C([O-])C1(C[NH2+]CC2=CC3=CC(Cl)=CN=C3O2)CC2(CCC2)C1	REAL300018642417	0	42	0.0	-50.36	347.86	7.59	-42.77
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C([N+](=O)[O-])=N1	REAL300018642418	0	42	0.0	-48.55	338.02	8.91	-39.64
O=C([O-])C1(C[NH2+]CC2=NC(Cl)=CS2)CC2(CCC2)C1	REAL300018642419	0	36	0.0	-38.86	310.21	7.18	-31.68
O=C([O-])C1(C[NH2+]CC2=CN=C3C=CC(Br)=CN23)CC2(CCC2)C1	REAL300018642420	0	43	0.0	-49.32	356.50	10.58	-38.74
O=C([O-])C1(C[NH2+]CC2=NC=CC3=CC=CC=C32)CC2(CCC2)C1	REAL300018642421	0	45	0.0	-44.00	345.95	9.91	-34.09
COC1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642422	0	44	0.0	-33.13	350.65	9.38	-23.75
CC1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)N1C1=CC=CC=C1	REAL300018642423	0	50	0.0	-38.74	381.13	11.94	-26.80
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642424	0	58	0.0	-42.70	443.03	14.39	-28.31
CCCN1N=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C	REAL300018642425	0	52	0.0	-44.29	392.38	9.98	-34.31
CCN(CC)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1F	REAL300018642426	0	54	0.0	-45.71	407.49	10.67	-35.04
CCOC1CC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C12CCCC2	REAL300018642427	0	54	0.0	-32.26	388.99	10.67	-21.59
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C(SC)C=C1OC	REAL300018642428	0	52	0.0	-43.11	402.69	9.66	-33.45
CN(C)C1=CC=C(N2CCC([NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)CC2)C=C1	REAL300018642429	0	60	0.0	-44.27	427.18	10.20	-34.07
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642430	0	51	0.0	-43.85	384.19	12.16	-31.69
CCCC(C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=CC=C1	REAL300018642431	0	52	0.0	-42.23	386.90	12.19	-30.04
CC1CC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC(C2=CC=CC=C2)C1	REAL300018642432	0	56	0.0	-36.93	398.39	12.82	-24.11
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642433	0	50	0.0	-36.97	382.75	10.58	-26.39
O=C([O-])C1(C[NH2+]CC2=NC3=CC=C(F)C=C3S2)CC2(CCC2)C1	REAL300018642434	0	42	0.0	-40.36	346.53	9.14	-31.22
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC=C2OC(F)F)CC2(CCC2)C1	REAL300018642435	0	44	0.0	-41.91	352.75	9.32	-32.59
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC2=CC=CC=C21	REAL300018642436	0	50	0.0	-44.29	382.69	11.23	-33.06
CCOC1=CN=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642437	0	46	0.0	-43.91	354.49	8.02	-35.89
CCOC1=CC(F)=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642438	0	47	0.0	-43.05	365.98	9.91	-33.14
COC1=CC=C(C(C)C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642439	0	50	0.0	-40.55	373.93	10.20	-30.35
CN1N=C(C2CC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642440	0	47	0.0	-49.93	362.17	9.17	-40.76
O=C([O-])C1(C[NH2+]C2CCC3(CCCCC3)CC2)CC2(CCC2)C1	REAL300018642441	0	56	0.0	-36.72	375.67	11.48	-25.24
CC([NH2+]CC1(C(=O)[O-])CC2(CCC2)C1)C(C)C1=CC=CC=C1	REAL300018642442	0	49	0.0	-35.48	359.07	11.21	-24.27
O=C([O-])C1(C[NH2+]C2CC3=C(C2)C2=CC=CC=C2N3)CC2(CCC2)C1	REAL300018642443	0	48	0.0	-42.94	361.36	10.67	-32.27
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642444	0	55	0.0	-35.48	402.82	9.66	-25.82
COC1=CC=CC2=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=CC=C12	REAL300018642445	0	50	0.0	-46.45	378.19	11.08	-35.37
O=C([O-])C1(C[NH2+]CC2=CC=NN2CC2CC2)CC2(CCC2)C1	REAL300018642446	0	47	0.0	-43.21	362.42	9.64	-33.57
CC(CCC1=CC=CN=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642447	0	48	0.0	-38.82	360.24	9.94	-28.88
CC(C)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642448	0	49	0.0	-38.90	368.66	11.53	-27.37
NS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300018642449	0	42	0.0	-55.61	345.57	2.77	-52.84
O=C([O-])C1(C[NH2+]C2CC=C(C3=CC=C(F)C=C3)CC2)CC2(CCC2)C1	REAL300018642450	0	51	0.0	-44.57	387.56	12.53	-32.04
O=C([O-])C1(C[NH2+]C2CCC3(CCOCC3)CC2)CC2(CCC2)C1	REAL300018642451	0	54	0.0	-39.30	367.19	9.11	-30.19
COC1=CN=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C	REAL300018642452	0	46	0.0	-44.06	347.47	7.73	-36.33
NC1=C(Cl)C=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642453	0	42	0.0	-43.90	333.78	8.19	-35.71
O=C([O-])C1(C[NH2+]CCC2=CC=C(F)C=C2Cl)CC2(CCC2)C1	REAL300018642454	0	43	0.0	-37.49	348.70	10.84	-26.65
O=C([O-])C1(C[NH2+]CC2=CC3=CN=CC=C3O2)CC2(CCC2)C1	REAL300018642455	0	42	0.0	-47.95	331.06	8.41	-39.54
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)S2)CC2(CCC2)C1	REAL300018642456	0	40	0.0	-47.17	341.80	9.97	-37.20
CC1=C2C=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)NC2=CC=C1	REAL300018642457	0	47	0.0	-48.17	361.68	10.18	-37.99
O=C([O-])C1(C[NH2+]CC2=CSC(C(F)(F)F)=C2)CC2(CCC2)C1	REAL300018642458	0	40	0.0	-45.31	339.07	9.75	-35.56
CCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1	REAL300018642459	0	53	0.0	-42.30	398.55	11.30	-31.00
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OC1CC1	REAL300018642460	0	52	0.0	-46.00	398.24	10.48	-35.52
O=C([O-])C1(C[NH2+]C2CCC3(CCCC3)CC2)CC2(CCC2)C1	REAL300018642461	0	53	0.0	-39.79	365.50	11.04	-28.75
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)F)N=C2)CC2(CCC2)C1	REAL300018642462	0	42	0.0	-49.20	336.23	8.73	-40.47
O=C([O-])C1(C[NH2+]C2CCC3=CC=CC=C3CC2)CC2(CCC2)C1	REAL300018642463	0	50	0.0	-40.14	359.46	11.61	-28.53
O=C([O-])C1(C[NH2+]CC2=NC=C(Br)S2)CC2(CCC2)C1	REAL300018642464	0	36	0.0	-38.84	314.93	7.49	-31.35
O=C([O-])C1(C[NH2+]C2CCCC3=CC=CC=C3C2)CC2(CCC2)C1	REAL300018642465	0	50	0.0	-35.88	359.59	11.62	-24.26
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C(F)F)=N1	REAL300018642466	0	43	0.0	-42.01	338.66	8.28	-33.73
CC([NH2+]CC1(C(=O)[O-])CC2(CCC2)C1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018642467	0	52	0.0	-39.37	393.65	11.97	-27.40
CCC1(CC)CCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300018642468	0	55	0.0	-34.86	369.86	10.85	-24.01
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2CCOC3)CC2(CCC2)C1	REAL300018642469	0	48	0.0	-41.07	355.26	9.57	-31.50
O=C([O-])C1(C[NH2+]CC2CC2C2=CC=C(F)C=C2)CC2(CCC2)C1	REAL300018642470	0	47	0.0	-37.63	358.67	11.54	-26.09
CC(CC1=COC2=CC=CC=C12)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642471	0	49	0.0	-36.43	371.87	11.32	-25.11
NS(=O)(=O)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642472	0	45	0.0	-49.47	362.69	4.56	-44.91
CC1=CC=C2C=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)NC2=C1	REAL300018642473	0	47	0.0	-43.83	361.70	10.21	-33.62
O=C([O-])C1(C[NH2+]CC2=NC=C(C(F)(F)F)S2)CC2(CCC2)C1	REAL300018642474	0	39	0.0	-40.79	333.80	7.93	-32.86
O=C([O-])C1(C[NH2+]CC2=CC=CC(F)=C2OC(F)F)CC2(CCC2)C1	REAL300018642475	0	44	0.0	-43.33	353.18	9.31	-34.02
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642476	0	48	0.0	-45.02	367.67	11.26	-33.76
O=C([O-])C1(C[NH2+]C2CCCCC(C3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300018642477	0	56	0.0	-38.37	396.69	12.92	-25.45
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CN=C3O2)CC2(CCC2)C1	REAL300018642478	0	42	0.0	-51.73	330.86	7.10	-44.63
CC1=CC(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=C2)=CC(C)=C1	REAL300018642479	0	56	0.0	-42.43	425.23	14.36	-28.07
O=C([O-])C1(C[NH2+]C2CCCC2C2=CC=C(Cl)C=C2)CC2(CCC2)C1	REAL300018642480	0	50	0.0	-41.98	384.21	12.31	-29.67
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1N1C=NC=N1	REAL300018642481	0	49	0.0	-50.06	377.15	13.08	-36.98
CC(C)(C)C1CCCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC1	REAL300018642482	0	58	0.0	-35.95	387.76	11.47	-24.48
O=C([O-])C1(C[NH2+]CC2=CC3=CC(F)=CC=C3O2)CC2(CCC2)C1	REAL300018642483	0	43	0.0	-46.45	342.51	10.22	-36.23
O=C([O-])C1(C[NH2+]CC2=CC=C(OCC(F)F)C=C2)CC2(CCC2)C1	REAL300018642484	0	47	0.0	-45.15	372.58	10.16	-34.99
O=C([O-])C1(C[NH2+]CC2=CC3=C(C=C2OC(F)F)OCO3)CC2(CCC2)C1	REAL300018642485	0	47	0.0	-47.37	374.85	7.96	-39.41
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(Br)=C1	REAL300018642486	0	44	0.0	-38.18	356.69	9.51	-28.67
COCC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642487	0	47	0.0	-40.30	363.27	9.34	-30.96
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642488	0	50	0.0	-49.07	403.97	11.91	-37.16
CN(C)CC1=NC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CS1	REAL300018642489	0	47	0.0	-42.47	370.77	6.31	-36.16
O=C([O-])C1(C[NH2+]CC2=CC=C(SC3=CC=CC=C3)C=C2)CC2(CCC2)C1	REAL300018642490	0	51	0.0	-44.34	408.81	13.72	-30.62
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C(OC(F)F)C=C1C	REAL300018642491	0	50	0.0	-41.56	387.20	10.50	-31.06
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642492	0	57	0.0	-42.57	419.70	10.76	-31.81
COC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OC	REAL300018642493	0	51	0.0	-44.59	382.55	9.35	-35.24
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2[N+](=O)[O-])CC2(CCC2)C1	REAL300018642494	0	42	0.0	-39.85	369.93	11.57	-28.28
CC1=C(Br)C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)S1	REAL300018642495	0	40	0.0	-40.11	339.76	10.07	-30.04
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1COC1=CC=CC=C1	REAL300018642496	0	58	0.0	-44.87	446.16	12.34	-32.53
O=C([O-])C1(C[NH2+]CCC2=CC=C(F)C=C2F)CC2(CCC2)C1	REAL300018642497	0	43	0.0	-38.20	341.71	10.49	-27.71
CC1=CC(C)=CC(CC[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642498	0	49	0.0	-38.04	372.77	11.71	-26.33
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CC(Cl)=C2)CC2(CCC2)C1	REAL300018642499	0	47	0.0	-46.55	381.43	10.00	-36.55
O=C([O-])C1(C[NH2+]C2CCCCC2C2=CC=CC=C2Cl)CC2(CCC2)C1	REAL300018642500	0	53	0.0	-36.07	396.30	12.82	-23.25
COC1=CC=C(CC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1OC	REAL300018642501	0	57	0.0	-38.35	417.96	10.68	-27.67
COC1=CC=C(N2C=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=N2)C=C1	REAL300018642502	0	51	0.0	-45.64	396.53	10.13	-35.51
CC(CCC1=CSC=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642503	0	46	0.0	-37.00	355.40	10.67	-26.33
COCCC1=CC=C(OCC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642504	0	57	0.0	-44.16	430.17	10.35	-33.81
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642505	0	49	0.0	-38.67	370.08	11.86	-26.81
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642506	0	50	0.0	-49.60	399.37	12.08	-37.52
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642507	0	55	0.0	-40.96	430.05	13.04	-27.92
O=C([O-])C1(C[NH2+]CC2=C(F)C=NC=C2Br)CC2(CCC2)C1	REAL300018642508	0	39	0.0	-36.38	327.15	8.37	-28.01
O=C([O-])C1(C[NH2+]C2CCCC(C3=CC=C(Cl)C=C3)C2)CC2(CCC2)C1	REAL300018642509	0	53	0.0	-38.55	401.32	12.95	-25.60
O=C([O-])C1(C[NH2+]C2CCCC2C2=CC=C(C(F)(F)F)C=C2)CC2(CCC2)C1	REAL300018642510	0	53	0.0	-38.16	405.43	12.89	-25.27
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CSC=C2)CC2(CCC2)C1	REAL300018642511	0	44	0.0	-50.97	355.33	8.36	-42.61
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=N3)=NN2)CC2(CCC2)C1	REAL300018642512	0	46	0.0	-52.94	365.03	7.83	-45.11
CN1N=CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CN=C21	REAL300018642513	0	45	0.0	-49.15	352.52	8.75	-40.40
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642514	0	49	0.0	-39.61	377.40	11.83	-27.78
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642515	0	50	0.0	-32.96	397.66	12.31	-20.65
CSC1=CC(Br)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642516	0	44	0.0	-38.19	367.93	11.20	-26.99
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642517	1	60	0.0	-38.78	429.26	11.85	-26.93
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642518	0	52	0.0	-41.68	399.70	12.57	-29.11
COCC(CC1CCOCC1)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642519	0	54	0.0	-40.63	386.71	7.80	-32.83
O=C([O-])C1(C[NH2+]C2CCCC2C2=CC=CC=C2Cl)CC2(CCC2)C1	REAL300018642520	0	50	0.0	-32.20	374.52	12.69	-19.51
CN1CCN(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=N2)CC1	REAL300018642521	0	55	0.0	-47.03	411.81	7.89	-39.14
O=C([O-])C1(C[NH2+]C2CC=C(C3=CC=C(Cl)C=C3)CC2)CC2(CCC2)C1	REAL300018642522	0	51	0.0	-43.85	397.88	12.99	-30.86
O=C([O-])C1(C[NH2+]CC2=C(C3CC3)N(C3=CC=CC=C3)N=N2)CC2(CCC2)C1	REAL300018642523	0	53	0.0	-48.81	405.91	11.29	-37.52
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642524	0	49	0.0	-43.29	393.80	10.95	-32.34
O=C([O-])C1(C[NH2+]C2CCCC2C2=CC=CC(C(F)(F)F)=C2)CC2(CCC2)C1	REAL300018642525	0	53	0.0	-37.30	399.76	13.29	-24.01
CC1CCC2=C(C1)SC(C[NH2+]CC1(C(=O)[O-])CC3(CCC3)C1)=N2	REAL300018642526	0	49	0.0	-36.91	377.76	9.97	-26.94
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2N2CCCCC2)CC2(CCC2)C1	REAL300018642527	0	55	0.0	-33.46	402.24	11.67	-21.79
O=C([O-])C1(C[NH2+]C2CCC3COCCC3C2)CC2(CCC2)C1	REAL300018642528	0	51	0.0	-36.54	353.40	9.14	-27.40
CC1(C)CC2(CC([NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C2)CO1	REAL300018642529	0	51	0.0	-37.98	372.00	9.15	-28.83
O=C([O-])C1(C[NH2+]C2CCOC3=CC=CC=C3C2)CC2(CCC2)C1	REAL300018642530	0	48	0.0	-42.85	353.68	9.77	-33.08
O=C([O-])C1(C[NH2+]C2CCCC3=C(C=CS3)C2)CC2(CCC2)C1	REAL300018642531	0	47	0.0	-35.11	352.29	10.81	-24.30
CN1C=NC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=C21	REAL300018642532	0	46	0.0	-50.31	347.68	10.76	-39.55
COC1=CC=C(C)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642533	0	47	0.0	-45.82	354.11	9.44	-36.38
O=C([O-])C1(C[NH2+]CC2=NOC(C3CCC3)=C2)CC2(CCC2)C1	REAL300018642534	0	46	0.0	-44.16	353.59	9.86	-34.30
CC1(C2=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=NO2)CC1	REAL300018642535	0	46	0.0	-44.53	355.80	9.77	-34.76
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1C	REAL300018642536	0	49	0.0	-38.18	357.99	11.34	-26.84
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642537	0	52	0.0	-37.29	365.27	12.00	-25.29
O=C([O-])C1(C[NH2+]CC2=CN=C3CCCCCN23)CC2(CCC2)C1	REAL300018642538	0	50	0.0	-41.56	364.52	10.01	-31.55
COC1=CC=C2SC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CC2=C1	REAL300018642539	0	47	0.0	-43.78	375.15	10.45	-33.33
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=C3)=NO2)CC2(CCC2)C1	REAL300018642540	0	46	0.0	-50.53	363.41	10.77	-39.76
CCN1CCC2=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=CC=C21	REAL300018642541	0	52	0.0	-41.04	387.51	10.24	-30.80
CC1(C)CC2(CO1)CCC([NH2+]CC1(C(=O)[O-])CC3(CCC3)C1)CC2	REAL300018642542	0	57	0.0	-40.51	393.33	9.92	-30.59
CSC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1Cl	REAL300018642543	0	44	0.0	-46.34	363.44	11.08	-35.26
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1C1CC1	REAL300018642544	0	50	0.0	-39.67	375.24	12.23	-27.44
COC1=CC=CC2=C1CCCC([NH2+]CC1(C(=O)[O-])CC3(CCC3)C1)C2	REAL300018642545	0	54	0.0	-36.57	387.58	11.01	-25.56
CCOC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=N1	REAL300018642546	0	46	0.0	-43.31	357.16	7.25	-36.06
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1C1CC1	REAL300018642547	0	50	0.0	-39.34	374.88	12.24	-27.10
CC1=NN(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C(C)=C2)C=C1	REAL300018642548	0	53	0.0	-47.61	406.05	12.06	-35.55
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)C(F)(F)F)C=C2)CC2(CCC2)C1	REAL300018642549	0	46	0.0	-44.56	379.41	11.50	-33.06
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642550	0	50	0.0	-46.37	401.24	11.97	-34.40
CC1=NN(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=C2)C=C1Cl	REAL300018642551	0	50	0.0	-48.34	405.13	11.90	-36.44
O=C([O-])C1(C[NH2+]CC2=CN=C(C3CCOCC3)O2)CC2(CCC2)C1	REAL300018642552	0	50	0.0	-45.27	380.73	6.07	-39.20
CC1OC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=C2C1C	REAL300018642553	0	51	0.0	-42.85	381.54	10.71	-32.14
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OC(F)F	REAL300018642554	0	47	0.0	-39.35	367.55	9.94	-29.41
CC(C)C1=CC=C(O)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642555	0	50	0.0	-44.85	376.28	8.83	-36.02
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)NN=C1C(F)(F)F	REAL300018642556	0	43	0.0	-52.69	346.56	7.54	-45.15
O=C([O-])C1(C[NH2+]CC2=NC(C3CC3)=CS2)CC2(CCC2)C1	REAL300018642557	0	43	0.0	-37.73	343.85	8.83	-28.90
O=C([O-])C1(C[NH2+]CC2=CN(CC3CC3)N=N2)CC2(CCC2)C1	REAL300018642558	0	46	0.0	-51.15	357.98	8.51	-42.64
O=C([O-])C1(C[NH2+]CC2=CC=C3CCOC3=C2)CC2(CCC2)C1	REAL300018642559	0	45	0.0	-40.42	344.30	9.45	-30.97
O=C([O-])C1(C[NH2+]CC2=NC3=C(CCCC3)N2)CC2(CCC2)C1	REAL300018642560	0	47	0.0	-46.68	351.40	8.68	-38.00
O=C([O-])C1(C[NH2+]CC2=CC=C3COCCC3=C2)CC2(CCC2)C1	REAL300018642561	0	48	0.0	-41.54	361.95	9.71	-31.83
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2C2CCC2)CC2(CCC2)C1	REAL300018642562	0	50	0.0	-42.33	369.21	11.98	-30.35
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2CCOCC2)=N1	REAL300018642563	0	54	0.0	-49.23	406.63	8.73	-40.50
O=C([O-])C1(C[NH2+]CC2=CN=CC(C3=CC=CN=C3)=C2)CC2(CCC2)C1	REAL300018642564	0	48	0.0	-47.11	372.50	9.46	-37.65
O=C([O-])C1(C[NH2+]C2CC(COCC3=CC=CC=C3)C2)CC2(CCC2)C1	REAL300018642565	0	54	0.0	-39.07	411.56	11.60	-27.47
CSC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642566	0	44	0.0	-42.71	348.43	10.63	-32.08
CC(C)(C)N1N=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642567	0	49	0.0	-46.50	356.08	9.08	-37.42
O=C([O-])C1(C[NH2+]C2CCC3=CC(Cl)=CC=C3C2)CC2(CCC2)C1	REAL300018642568	0	47	0.0	-45.19	363.48	11.55	-33.64
CC(C)C1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)N(C)N=C1	REAL300018642569	0	49	0.0	-44.52	369.51	9.09	-35.43
O=C([O-])C1(C[NH2+]C2CC(C3=CC=CC=C3Br)C2)CC2(CCC2)C1	REAL300018642570	0	47	0.0	-37.48	369.91	11.88	-25.60
CCC([NH2+]CC1(C(=O)[O-])CC2(CCC2)C1)C(C)CC1=CC=CC=C1	REAL300018642571	0	55	0.0	-34.85	393.03	12.76	-22.09
O=C([O-])C1(C[NH2+]CC2=CC=C(CC3CC3)S2)CC2(CCC2)C1	REAL300018642572	0	47	0.0	-43.97	374.05	11.84	-32.13
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3CC3)C=C2)CC2(CCC2)C1	REAL300018642573	0	48	0.0	-43.13	368.75	10.59	-32.54
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)(F)F)C=C2F)CC2(CCC2)C1	REAL300018642574	0	44	0.0	-40.89	362.48	9.48	-31.41
O=C([O-])C1(C[NH2+]CC2=CC=CC(C(F)(F)C(F)(F)F)=C2)CC2(CCC2)C1	REAL300018642575	0	46	0.0	-45.61	379.41	11.50	-34.11
CC1=NC=CN1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1	REAL300018642576	0	53	0.0	-48.50	405.46	12.75	-35.75
CC1=C(C)N(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=C2)C=N1	REAL300018642577	0	53	0.0	-48.36	409.06	13.35	-35.01
O=C([O-])C1(C[NH2+]CC2=CC=C(C3CC3)C(C3CC3)=C2)CC2(CCC2)C1	REAL300018642578	0	54	0.0	-40.01	403.17	13.64	-26.37
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)OC2=CC=C(F)C=C12	REAL300018642580	0	46	0.0	-45.76	362.90	10.85	-34.91
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642581	0	46	0.0	-37.26	365.65	11.40	-25.86
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642582	0	50	0.0	-50.03	391.00	10.78	-39.25
CC(C)(C)C1=CN=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642583	0	51	0.0	-43.88	379.61	10.11	-33.77
O=C([O-])C1(C[NH2+]CC2=CC3=C(Br)C=CC=C3S2)CC2(CCC2)C1	REAL300018642584	0	43	0.0	-41.16	366.04	11.73	-29.43
O=C([O-])C1(C[NH2+]CC2=NN(CC(F)(F)F)C=C2)CC2(CCC2)C1	REAL300018642585	0	43	0.0	-46.97	350.49	8.70	-38.27
CN1C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=NC2=C1CCCC2	REAL300018642586	0	50	0.0	-51.71	372.42	10.28	-41.43
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C(F)(F)F)=N1	REAL300018642587	0	43	0.0	-43.03	346.10	8.28	-34.75
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3C=N2)CC2(CCC2)C1	REAL300018642588	0	45	0.0	-43.43	349.37	10.04	-33.39
COC1=NC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1C	REAL300018642589	0	46	0.0	-45.22	355.52	7.01	-38.21
O=C([O-])C1(C[NH2+]CC2=CC=CC(C(F)F)=C2F)CC2(CCC2)C1	REAL300018642590	0	43	0.0	-38.92	344.29	10.48	-28.44
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2COCC3)CC2(CCC2)C1	REAL300018642591	0	48	0.0	-39.57	355.18	9.61	-29.96
CCOC1=CC=C(Cl)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642592	0	47	0.0	-36.36	375.17	10.40	-25.96
O=C([O-])C1(C[NH2+]CC2=CNN=C2C2=CC=CC(F)=C2)CC2(CCC2)C1	REAL300018642593	0	47	0.0	-47.24	371.10	9.54	-37.70
O=C([O-])C1(C[NH2+]CC2=CC3=C(CCCC3)O2)CC2(CCC2)C1	REAL300018642594	0	47	0.0	-47.00	352.66	10.35	-36.65
CCC(C)N1N=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642595	0	49	0.0	-47.31	371.15	9.30	-38.01
O=C([O-])C1(C[NH2+]CC2=CN(C3CCCCC3)N=C2)CC2(CCC2)C1	REAL300018642596	0	53	0.0	-44.12	392.86	10.67	-33.45
COC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=CC=C1C(C)(C)C	REAL300018642597	0	56	0.0	-36.54	402.27	11.36	-25.18
CN1C=C(Br)N=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642598	0	40	0.0	-50.32	329.80	8.47	-41.85
COC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=N1	REAL300018642599	0	46	0.0	-44.25	350.77	6.93	-37.32
O=C([O-])C1(C[NH2+]CC2=NC3=CC=CC=C3S2)CC2(CCC2)C1	REAL300018642600	0	42	0.0	-39.60	340.11	9.07	-30.53
COC1=CC=CC(C2CC([NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C2)=C1	REAL300018642601	0	51	0.0	-39.78	380.77	10.69	-29.09
CC1=NOC(C2CC([NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C2)=N1	REAL300018642602	0	45	0.0	-45.92	350.06	7.17	-38.75
O=C([O-])C1(C[NH2+]C2CC(C3CCOCC3)C2)CC2(CCC2)C1	REAL300018642603	0	51	0.0	-38.43	369.76	9.34	-29.09
CC1=CC(C)=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1Br	REAL300018642604	0	49	0.0	-41.46	378.52	11.74	-29.72
O=C([O-])C1(C[NH2+]CC=CC2=CC=C3OCOC3=C2)CC2(CCC2)C1	REAL300018642605	0	47	0.0	-44.40	365.55	9.57	-34.83
O=C([O-])C1(C[NH2+]CC2=CC=C(CC3CCC3)C=C2)CC2(CCC2)C1	REAL300018642606	0	53	0.0	-39.08	399.29	13.14	-25.94
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642607	0	50	0.0	-45.59	404.40	10.40	-35.19
COC1=CC=C(CC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1	REAL300018642608	0	53	0.0	-42.38	388.52	10.66	-31.72
CCC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=NN1CC	REAL300018642609	0	49	0.0	-46.71	368.69	9.43	-37.28
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C(F)(F)F)=CO1	REAL300018642610	0	43	0.0	-35.05	346.60	9.37	-25.68
CC(F)(F)C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642611	0	46	0.0	-42.84	361.44	11.15	-31.69
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CSC=C3)N=C2)CC2(CCC2)C1	REAL300018642612	0	46	0.0	-43.92	371.14	10.39	-33.53
CN1C=C(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=N1	REAL300018642613	0	47	0.0	-54.04	368.86	7.21	-46.83
COC1=CC=C(CCC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C)=C1	REAL300018642614	0	56	0.0	-39.09	410.27	11.50	-27.59
O=C([O-])C1(C[NH2+]C2CC3CCCCCC3C2)CC2(CCC2)C1	REAL300018642615	0	53	0.0	-34.88	360.40	11.14	-23.74
CC1CCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)CC2=CC=CC=C21	REAL300018642616	0	53	0.0	-35.07	369.81	11.87	-23.20
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CSC=C3)C=C2)CC2(CCC2)C1	REAL300018642617	0	47	0.0	-41.85	373.78	12.04	-29.81
CCOC1=CC(CCC(C)[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1O	REAL300018642618	0	57	0.0	-40.71	427.53	9.78	-30.93
O=C([O-])C1(C[NH2+]CC2=CC=CC3=CC(Cl)=CC=C32)CC2(CCC2)C1	REAL300018642619	0	46	0.0	-41.65	366.12	12.25	-29.40
COC1=C(C)C(C)=C(OC)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C	REAL300018642620	0	57	0.0	-37.92	420.71	10.25	-27.67
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OC2CCCCC2)CC2(CCC2)C1	REAL300018642621	0	57	0.0	-35.96	420.44	12.50	-23.46
O=C([O-])C1(C[NH2+]CC2=CC=C(OC3=CC=CC(Cl)=C3)C=C2)CC2(CCC2)C1	REAL300018642622	0	51	0.0	-44.78	413.63	12.97	-31.81
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2COC2CCCCC2)CC2(CCC2)C1	REAL300018642623	0	60	0.0	-40.35	438.40	13.14	-27.21
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=C(Cl)C=C2)CC2(CCC2)C1	REAL300018642624	0	54	0.0	-37.01	437.52	13.54	-23.47
COC1=CC=CC(OC2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)C=C2)=C1	REAL300018642625	0	55	0.0	-45.46	426.41	11.78	-33.68
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642626	0	55	0.0	-45.04	427.50	12.40	-32.64
COCC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642627	0	47	0.0	-42.48	357.31	9.51	-32.97
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2CC2=CC=C(Cl)C=C2)CC2(CCC2)C1	REAL300018642628	0	53	0.0	-43.15	417.34	14.29	-28.86
O=C([O-])C1(C[NH2+]CC2=CC=CC(SC(F)(F)F)=C2)CC2(CCC2)C1	REAL300018642629	0	44	0.0	-44.38	364.62	11.08	-33.30
O=C([O-])C1(C[NH2+]CC2=CC=CC(OCC3=CC=C(Cl)C=C3)=C2)CC2(CCC2)C1	REAL300018642630	0	54	0.0	-40.46	436.45	13.41	-27.05
O=C([O-])C1(C[NH2+]CC2=CC=C3CCOCC3=C2)CC2(CCC2)C1	REAL300018642631	0	48	0.0	-41.23	362.16	9.70	-31.53
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)SC2=CC(F)=CC=C12	REAL300018642632	0	46	0.0	-44.35	369.15	11.71	-32.64
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=NC=C3)=NN2)CC2(CCC2)C1	REAL300018642633	0	46	0.0	-49.99	363.07	7.79	-42.20
COC1=CC=C(F)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1OC	REAL300018642634	0	48	0.0	-38.05	372.56	8.91	-29.14
CCN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2CC2)=N1	REAL300018642635	0	50	0.0	-42.18	384.85	10.46	-31.72
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1OCCO	REAL300018642636	0	52	0.0	-47.99	400.19	6.66	-41.33
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2=CC=NN2C)=N1	REAL300018642637	0	50	0.0	-43.23	393.96	8.53	-34.70
CC(C)(C)C1=NOC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642638	0	48	0.0	-45.17	358.53	9.42	-35.75
O=C([O-])C1(C[NH2+]CC2=CC3=CN=CC=C3C=C2)CC2(CCC2)C1	REAL300018642639	0	45	0.0	-45.67	349.44	10.09	-35.58
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CC=C1OCC1CCCO1	REAL300018642640	0	59	0.0	-47.03	445.90	10.25	-36.78
CC1=CC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=C2O1	REAL300018642641	0	46	0.0	-37.47	357.45	10.77	-26.70
O=C([O-])C1(C[NH2+]CC2=CC=CC(F)=C2C(F)(F)F)CC2(CCC2)C1	REAL300018642642	0	43	0.0	-38.21	342.26	10.72	-27.49
O=C([O-])C1(C[NH2+]CC2=C(F)C=CC=C2OCC(F)(F)F)CC2(CCC2)C1	REAL300018642643	0	47	0.0	-37.31	383.35	10.39	-26.92
O=C([O-])C1(C[NH2+]CC2=CON=C2C2CCC2)CC2(CCC2)C1	REAL300018642644	0	46	0.0	-44.64	353.14	9.69	-34.95
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2F)CC2(CCC2)C1	REAL300018642645	0	43	0.0	-42.15	355.23	10.70	-31.45
CC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1F	REAL300018642646	0	50	0.0	-48.07	383.72	10.55	-37.52
CC1=NN(C2CCCC2)C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1	REAL300018642647	0	53	0.0	-43.41	396.30	10.70	-32.71
O=C([O-])C1(C[NH2+]CC2=CC=NN2CC(F)F)CC2(CCC2)C1	REAL300018642648	0	43	0.0	-44.84	340.23	8.11	-36.73
O=C([O-])C1(C[NH2+]CC2=CN(C3=CC=CC(F)=C3)N=C2)CC2(CCC2)C1	REAL300018642649	0	47	0.0	-45.87	373.45	10.89	-34.98
O=C([O-])C1(C[NH2+]CC2=NN(C3CCC3)C=C2)CC2(CCC2)C1	REAL300018642650	0	47	0.0	-46.86	357.07	9.28	-37.58
O=C([O-])C1(C[NH2+]CC2=NN(CC(F)F)C=C2)CC2(CCC2)C1	REAL300018642651	0	43	0.0	-48.35	347.21	8.56	-39.79
O=C([O-])C1(C[NH2+]CC2=NN(C3CC3(F)F)C=C2)CC2(CCC2)C1	REAL300018642652	0	44	0.0	-49.26	354.36	9.06	-40.20
O=C([O-])C1(C[NH2+]CC2=CC(Br)=CC3=CC=CN=C32)CC2(CCC2)C1	REAL300018642653	0	45	0.0	-36.65	369.30	10.73	-25.92
O=C([O-])C1(C[NH2+]CC2=NN(C3CCCC3)C=C2)CC2(CCC2)C1	REAL300018642654	0	50	0.0	-42.31	374.24	9.97	-32.34
O=C([O-])C1(C[NH2+]CC2=C3OC=CC3=C(F)C=C2)CC2(CCC2)C1	REAL300018642655	0	43	0.0	-43.87	344.70	10.06	-33.81
O=C([O-])C1(C[NH2+]CC2=C3OC=CC3=CC(Cl)=C2)CC2(CCC2)C1	REAL300018642656	0	43	0.0	-44.36	352.45	10.36	-34.00
COC1=CC=CC(CN2CCC([NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)CC2)=C1	REAL300018642657	0	59	0.0	-37.09	430.00	9.46	-27.63
COC1=CC=C2SC(C[NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)=NC2=C1	REAL300018642658	0	46	0.0	-40.64	369.64	8.34	-32.30
O=C([O-])C1(C[NH2+]CC2=CN=C3C=C(Br)C=CN23)CC2(CCC2)C1	REAL300018642659	0	43	0.0	-48.33	359.10	10.72	-37.61
CC1=CC(Br)=CC(C)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642660	0	46	0.0	-40.41	362.90	11.28	-29.13
CN1N=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1C1=CC=CO1	REAL300018642661	0	47	0.0	-46.14	369.84	8.94	-37.20
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC3=C2OCO3)CC2(CCC2)C1	REAL300018642662	0	43	0.0	-36.10	348.31	8.69	-27.41
O=C([O-])C1(C[NH2+]CC2=CC=C(C3CCCCC3)C=C2)CC2(CCC2)C1	REAL300018642663	0	56	0.0	-39.10	410.05	13.42	-25.68
CC1=NN(C2CCC2)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642664	0	50	0.0	-45.67	376.66	9.96	-35.71
COC1=CC=CC=C1C=CC[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642665	0	48	0.0	-38.63	367.86	10.27	-28.36
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CC=N3)N=C2)CC2(CCC2)C1	REAL300018642666	0	48	0.0	-47.13	377.40	9.96	-37.17
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642667	0	47	0.0	-51.84	373.14	8.77	-43.07
CC(C)(C)N1CCCC([NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C1	REAL300018642668	0	54	0.0	-35.59	374.51	8.16	-27.43
O=C([O-])C1(C[NH2+]CC2=CC=C(CC3=CC=CC=C3)C=C2)CC2(CCC2)C1	REAL300018642669	0	53	0.0	-40.55	411.00	14.08	-26.47
O=C([O-])C1(C[NH2+]C2CC(C3=CC=C(OC(F)(F)F)C=C3)C2)CC2(CCC2)C1	REAL300018642670	0	51	0.0	-47.15	398.73	11.12	-36.03
O=C([O-])C1(C[NH2+]CC2=CC(C3=CC=CC=C3)=CC=N2)CC2(CCC2)C1	REAL300018642671	0	49	0.0	-45.41	380.53	11.27	-34.14
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642672	0	61	0.0	-41.99	437.20	11.71	-30.28
CC1=CC=C(C2CCC([NH2+]CC3(C(=O)[O-])CC4(CCC4)C3)CC2)C=C1	REAL300018642673	0	56	0.0	-36.22	399.31	13.37	-22.85
COC1=CC(C)=CC(OC)=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642674	0	51	0.0	-34.32	386.18	8.98	-25.34
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)(F)F)C(Cl)=C2)CC2(CCC2)C1	REAL300018642675	0	44	0.0	-46.45	370.24	9.96	-36.49
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3CC(F)(F)C3(F)F)=C2)CC2(CCC2)C1	REAL300018642676	0	50	0.0	-43.70	397.02	12.43	-31.27
O=C([O-])C1(C[NH2+]CC2=CC=C3SC=CC3=C2)CC2(CCC2)C1	REAL300018642677	0	43	0.0	-43.05	345.37	10.99	-32.06
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=NC=C3)C=C2)CC2(CCC2)C1	REAL300018642678	0	49	0.0	-44.63	377.63	11.28	-33.35
CC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C(F)(F)F	REAL300018642679	0	46	0.0	-35.43	353.33	11.22	-24.21
CCC(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=C1	REAL300018642680	0	52	0.0	-39.09	386.88	12.21	-26.88
O=C([O-])C1(C[NH2+]C2CCC3(C2)CCOCC3)CC2(CCC2)C1	REAL300018642681	0	51	0.0	-38.17	358.41	8.90	-29.27
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642682	0	53	0.0	-49.01	409.11	12.19	-36.82
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2CCCC3)CC2(CCC2)C1	REAL300018642683	0	50	0.0	-39.02	363.58	11.98	-27.04
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642684	0	47	0.0	-43.36	368.31	11.50	-31.86
COC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=CC(Br)=C1F	REAL300018642685	0	44	0.0	-46.10	364.71	9.59	-36.51
O=C([O-])C1(C[NH2+]CC2=CC=C(N3C=CN=N3)C=C2)CC2(CCC2)C1	REAL300018642686	0	46	0.0	-49.77	360.58	9.54	-40.23
CC1=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C=CC2=CC=CC=C21	REAL300018642687	0	49	0.0	-42.83	367.90	12.41	-30.42
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642688	0	58	0.0	-44.75	434.03	11.24	-33.51
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3C(Br)=C2)CC2(CCC2)C1	REAL300018642689	0	46	0.0	-42.37	372.76	12.40	-29.97
COC1=C2C=CNC2=CC=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642690	0	48	0.0	-41.18	371.86	9.08	-32.10
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCC(O)C3)C=C2)CC2(CCC2)C1	REAL300018642691	0	53	0.0	-42.65	395.81	6.62	-36.03
CCCN1N=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=C1C	REAL300018642692	0	49	0.0	-48.38	371.74	9.48	-38.90
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)=CN=C1N1C=CC=N1	REAL300018642693	0	49	0.0	-49.33	379.78	10.94	-38.39
O=C([O-])C1(C[NH2+]C2CCC2CC2=CC=CC=C2)CC2(CCC2)C1	REAL300018642694	0	50	0.0	-36.49	373.54	12.56	-23.93
CCCN1N=C(C)C=C1C[NH2+]CC1(C(=O)[O-])CC2(CCC2)C1	REAL300018642695	0	49	0.0	-47.77	371.11	9.38	-38.39
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)C(C2CCC2)=N1	REAL300018642696	0	50	0.0	-42.88	379.43	10.04	-32.84
CC(C)(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3(CCC3)C2)O1	REAL300018642697	0	48	0.0	-44.01	367.64	7.11	-36.90
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CCC2CCCCC2(F)F)O1	REAL300018642698	0	49	0.0	-67.21	389.55	12.34	-54.87
CC1=C(C(=O)[O-])C=C(C[NH2+]CCC2CCCCC2(F)F)O1	REAL300018642699	0	42	0.0	-73.21	334.45	8.80	-64.41
O=C([O-])CN1CCC([NH2+]CCC2CCCCC2(F)F)CC1	REAL300018642700	0	47	0.0	-69.16	345.74	7.07	-62.09
O=C([O-])CN1C=C(C[NH2+]CCC2CCCCC2(F)F)N=N1	REAL300018642701	0	41	0.0	-72.19	330.13	6.66	-65.53
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O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CCC3CCCCC3(F)F)O2)C=C1	REAL300018642703	0	49	0.0	-85.86	393.34	11.68	-74.18
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CCC1CCCCC1(F)F	REAL300018642704	0	49	0.0	-57.55	388.18	11.06	-46.49
CC1=CC(C[NH2+]CCC2CCCCC2(F)F)=CC(C)=C1OCC(=O)[O-]	REAL300018642705	0	52	0.0	-85.80	406.27	11.56	-74.24
O=C([O-])CCCN1CCC([NH2+]CCC2CCCCC2(F)F)CC1	REAL300018642706	1	53	0.0	-72.54	388.65	8.39	-64.15
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CCC1CCCCC1(F)F	REAL300018642707	0	51	0.0	-75.68	396.72	9.53	-66.15
O=C([O-])COC1=CC=C(C[NH2+]CCC2CCCCC2(F)F)C=C1	REAL300018642708	0	46	0.0	-81.86	364.45	10.11	-71.75
O=C([O-])COC1=CC=C(C[NH2+]CCC2CCCCC2(F)F)C=C1	REAL300018642709	0	46	0.0	-81.86	364.45	10.11	-71.75
O=C([O-])C1=CC(C[NH2+]CCC2CCCCC2(F)F)=CS1	REAL300018642710	0	39	0.0	-74.28	323.93	8.88	-65.40
O=C([O-])CC1CCC([NH2+]CCC2CCCCC2(F)F)CC1	REAL300018642711	0	48	0.0	-69.75	349.66	9.82	-59.93
CC(OC1=CC=C(C[NH2+]CCC2CCCCC2(F)F)C=C1)C(=O)[O-]	REAL300018642712	0	49	0.0	-82.75	382.02	10.70	-72.05
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CCC2CCCCC2(F)F)C=C1	REAL300018642713	0	49	0.0	-81.42	391.98	9.83	-71.59
CC1CC([NH2+]CCC2CCCCC2(F)F)CCC1C(=O)[O-]	REAL300018642714	0	48	0.0	-72.59	341.82	9.42	-63.17
O=C([O-])C=CC1=CC=C(C[NH2+]CCC2CCCCC2(F)F)O1	REAL300018642715	0	43	0.0	-84.73	350.70	7.92	-76.81
O=C([O-])C(F)(F)C1CCCC([NH2+]CCC2CCCCC2(F)F)C1	REAL300018642716	0	48	0.0	-65.57	355.59	10.19	-55.38
O=C([O-])C(F)(F)C1CCC([NH2+]CCC2CCCCC2(F)F)C1	REAL300018642717	0	45	0.0	-68.15	345.88	9.51	-58.64
CC1=C(C[NH2+]CCC2CCCCC2(F)F)C=C(C(=O)[O-])O1	REAL300018642718	0	42	0.0	-77.52	335.25	8.99	-68.53
CC1=C(C(=O)[O-])OC(C[NH2+]CCC2CCCCC2(F)F)=C1	REAL300018642719	0	42	0.0	-74.43	334.17	8.92	-65.51
O=C([O-])C1=CC=C(C[NH2+]CCC2CCCCC2(F)F)C=C1Cl	REAL300018642720	0	42	0.0	-83.62	345.91	10.22	-73.40
CC(CC(C)(C)CC(=O)[O-])[NH2+]CCC1CCCCC1(F)F	REAL300018642721	0	50	0.0	-61.77	351.19	10.10	-51.67
CC1C(CC(=O)[O-])CCC1[NH2+]CCC1CCCCC1(F)F	REAL300018642722	0	48	0.0	-70.37	353.88	9.88	-60.49
O=C([O-])C1=CC=C(C[NH2+]CCC2CCCCC2(F)F)C(C(F)(F)F)=C1	REAL300018642723	0	45	0.0	-78.98	361.77	10.88	-68.10
CN1C=C(C[NH2+]CCC2CCCCC2(F)F)C(C(=O)[O-])=N1	REAL300018642724	0	42	0.0	-56.97	333.35	7.66	-49.31
O=C([O-])C1=CC=C(C[NH2+]CCC2CCCCC2(F)F)C=C1Br	REAL300018642725	0	42	0.0	-82.18	349.64	10.31	-71.87
CCC1=C(C(=O)[O-])C=C(C[NH2+]CCC2CCCCC2(F)F)O1	REAL300018642726	0	45	0.0	-73.63	355.95	9.58	-64.05
O=C([O-])CCCC1CCCC([NH2+]CCC2CCCCC2(F)F)C1	REAL300018642727	0	54	0.0	-72.21	386.76	11.58	-60.63
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CCC1CCCCC1(F)F	REAL300018642728	0	53	0.0	-74.20	385.30	10.77	-63.43
O=C([O-])CN1C=C(C[NH2+]CCC2CCCCC2(F)F)C(C2=CC=CC=C2)=N1	REAL300018642729	0	52	0.0	-74.81	412.43	11.41	-63.40
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CCC2CCCCC2(F)F)C1	REAL300018642730	0	49	0.0	-61.94	372.69	11.28	-50.66
CN1N=C(C(=O)[O-])C=C1C[NH2+]CCC1CCCCC1(F)F	REAL300018642731	0	42	0.0	-86.80	335.27	7.49	-79.31
O=C([O-])CCC1=CC=C(C[NH2+]CCC2CCCCC2(F)F)O1	REAL300018642732	0	45	0.0	-73.76	358.21	9.72	-64.04
O=C([O-])C1=CC(C[NH2+]CCC2CCCCC2(F)F)=CC=C1F	REAL300018642733	0	42	0.0	-81.90	337.95	9.85	-72.05
O=C([O-])C1=CC2=C(SC(C[NH2+]CCC3CCCCC3(F)F)=C2)S1	REAL300018642734	0	42	0.0	-84.98	361.65	10.52	-74.46
O=C([O-])C1=C2N=CC(C[NH2+]CCC3CCCCC3(F)F)=CN2N=C1	REAL300018642735	0	44	0.0	-102.73	356.20	8.78	-93.95
CC(OC1=CC=C(Cl)C=C1C[NH2+]CCC1CCCCC1(F)F)C(=O)[O-]	REAL300018642736	0	49	0.0	-54.73	397.70	11.25	-43.48
O=C([O-])C1=CC(F)=C(C[NH2+]CCC2CCCCC2(F)F)C(F)=C1	REAL300018642737	0	42	0.0	-68.06	343.98	9.88	-58.18
O=C([O-])C1=CN2C(C[NH2+]CCC3CCCCC3(F)F)=CN=C2C=C1	REAL300018642738	0	45	0.0	-67.09	360.25	10.25	-56.84
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CCC1CCCCC1(F)F	REAL300018642739	0	44	0.0	-87.43	344.34	8.66	-78.77
O=C([O-])C1=CN=C2C(C[NH2+]CCC3CCCCC3(F)F)=CC=CN12	REAL300018642740	0	45	0.0	-83.93	359.09	9.54	-74.39
O=C([O-])C1=CC=CC(C[NH2+]CCC2CCCCC2(F)F)=C1Br	REAL300018642741	0	42	0.0	-70.20	344.66	10.25	-59.95
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CCC3CCCCC3(F)F)=N2)C1	REAL300018642742	0	49	0.0	-72.27	379.67	9.42	-62.85
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CCC2CCCCC2(F)F)C1	REAL300018642743	0	49	0.0	-84.59	380.22	9.73	-74.86
O=C([O-])C1=CC(C[NH2+]CCC2CCCCC2(F)F)=CC(C(F)(F)F)=C1	REAL300018642744	0	45	0.0	-74.80	372.44	10.83	-63.97
O=C([O-])C1=CC=C(O)C(C[NH2+]CCC2CCCCC2(F)F)=C1	REAL300018642745	0	43	0.0	-72.72	340.99	7.22	-65.50
O=C([O-])C1=CC(Br)=CC(C[NH2+]CCC2CCCCC2(F)F)=C1	REAL300018642746	0	42	0.0	-73.64	354.69	10.43	-63.21
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)O1	REAL300018642747	0	50	0.0	-64.09	392.82	13.69	-50.40
O=C([O-])CN1CCC([NH2+]CC2=CC=CC3=C2CCCC3)CC1	REAL300018642748	0	48	0.0	-66.41	349.09	8.43	-57.98
O=C([O-])CN1C=C(C[NH2+]CC2=CC=CC3=C2CCCC3)N=N1	REAL300018642749	1	42	0.0	-69.68	333.36	8.01	-61.67
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC4=C3CCCC4)O2)C=C1	REAL300018642750	0	50	0.0	-84.32	396.61	13.02	-71.30
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3=CC=CC4=C3CCCC4)O2)C=C1	REAL300018642751	0	50	0.0	-84.32	396.61	13.02	-71.30
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018642752	0	50	0.0	-54.59	391.23	12.40	-42.19
CC1=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=CC(C)=C1OCC(=O)[O-]	REAL300018642753	0	53	0.0	-84.54	411.80	13.01	-71.53
O=C([O-])CCC[NH+]1CCC(NCC2=CC=CC3=C2CCCC3)CC1	REAL300018642754	1	54	0.0	-55.78	392.64	10.73	-45.05
O=C([O-])CCCN1CCC([NH2+]CC2=CC=CC3=C2CCCC3)CC1	REAL300018642754	1	54	0.0	-70.53	391.92	9.75	-60.78
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018642755	0	52	0.0	-74.18	399.94	10.88	-63.30
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1	REAL300018642756	0	47	0.0	-80.32	367.73	11.45	-68.87
O=C([O-])COC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1	REAL300018642757	0	47	0.0	-80.32	367.73	11.45	-68.87
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=CS1	REAL300018642758	0	40	0.0	-71.64	327.15	10.24	-61.40
O=C([O-])CC1CCC([NH2+]CC2=CC=CC3=C2CCCC3)CC1	REAL300018642759	0	49	0.0	-66.30	352.87	11.18	-55.12
CC(OC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1)C(=O)[O-]	REAL300018642760	0	50	0.0	-81.25	385.60	12.05	-69.20
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1	REAL300018642761	0	50	0.0	-80.06	395.23	11.18	-68.88
CC1CC([NH2+]CC2=CC=CC3=C2CCCC3)CCC1C(=O)[O-]	REAL300018642762	0	49	0.0	-53.71	345.25	10.85	-42.86
O=C([O-])C=CC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)O1	REAL300018642763	0	44	0.0	-82.50	353.92	9.27	-73.23
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300018642764	0	49	0.0	-62.88	359.12	11.54	-51.34
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300018642765	0	46	0.0	-65.06	347.80	10.86	-54.20
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1Cl	REAL300018642766	0	43	0.0	-81.81	349.12	11.57	-70.24
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018642767	0	51	0.0	-57.92	351.92	11.25	-46.67
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018642768	0	49	0.0	-67.76	358.48	11.27	-56.49
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C(C(F)(F)F)=C1	REAL300018642769	0	46	0.0	-75.29	365.04	12.23	-63.06
O=C([O-])C1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C=C1Br	REAL300018642770	0	43	0.0	-80.43	352.86	11.67	-68.76
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC=CC3=C2CCCC3)O1	REAL300018642771	0	46	0.0	-71.13	359.16	10.92	-60.21
O=C([O-])CCCC1CCCC([NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300018642772	0	55	0.0	-72.64	396.72	12.72	-59.92
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018642773	0	54	0.0	-71.75	389.10	12.13	-59.62
O=C([O-])CN1C=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C(C2=CC=CC=C2)=N1	REAL300018642774	0	53	0.0	-72.67	415.87	12.75	-59.92
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300018642775	0	50	0.0	-40.34	372.54	12.98	-27.36
O=C([O-])CCC1=CC=C(C[NH2+]CC2=CC=CC3=C2CCCC3)O1	REAL300018642776	0	46	0.0	-71.61	361.41	11.07	-60.54
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=CC=C1F	REAL300018642777	0	43	0.0	-79.48	341.16	11.21	-68.27
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3=CC=CC4=C3CCCC4)=C2)S1	REAL300018642778	0	43	0.0	-83.32	364.86	11.87	-71.45
O=C([O-])C1=C2N=CC(C[NH2+]CC3=CC=CC4=C3CCCC4)=CN2N=C1	REAL300018642779	0	45	0.0	-101.36	359.42	10.13	-91.23
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC1=CC=CC2=C1CCCC2)C(=O)[O-]	REAL300018642780	0	50	0.0	-52.43	400.91	12.60	-39.83
O=C([O-])C1=CC(F)=C(C[NH2+]CC2=CC=CC3=C2CCCC3)C(F)=C1	REAL300018642781	1	43	0.0	-65.24	347.18	11.23	-54.01
O=C([O-])C1=CN2C(C[NH2+]CC3=CC=CC4=C3CCCC4)=CN=C2C=C1	REAL300018642782	0	46	0.0	-64.41	363.46	11.60	-52.81
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1=CC=CC2=C1CCCC2	REAL300018642783	0	45	0.0	-85.25	347.54	10.01	-75.24
O=C([O-])C1=CN=C2C(C[NH2+]CC3=CC=CC4=C3CCCC4)=CC=CN12	REAL300018642784	0	46	0.0	-81.35	362.33	10.89	-70.46
O=C([O-])C1=CC=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=C1Br	REAL300018642785	0	43	0.0	-67.91	347.88	11.60	-56.31
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC3=CC=CC4=C3CCCC4)=N2)C1	REAL300018642786	1	50	0.0	-70.80	383.49	10.77	-60.03
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC2=CC=CC3=C2CCCC3)C1	REAL300018642787	0	50	0.0	-82.65	384.44	11.09	-71.56
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=CC(C(F)(F)F)=C1	REAL300018642788	0	46	0.0	-73.03	375.66	12.17	-60.86
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2=CC=CC3=C2CCCC3)=C1	REAL300018642789	0	44	0.0	-70.25	344.20	8.57	-61.68
O=C([O-])C1=CC(Br)=CC(C[NH2+]CC2=CC=CC3=C2CCCC3)=C1	REAL300018642790	0	43	0.0	-71.79	357.91	11.78	-60.01
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018642791	1	43	0.0	-74.22	373.15	9.73	-64.49
CN1N=C(C(F)F)C=C1C[NH2+]C1CCN(CC(=O)[O-])CC1	REAL300018642792	0	41	0.0	-74.92	329.40	4.47	-70.45
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018642794	1	43	0.0	-95.14	376.91	9.07	-86.07
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018642795	1	43	0.0	-95.14	376.91	9.07	-86.07
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CN(C2=CC=CC=C2)N=C1C(=O)[O-]	REAL300018642796	1	43	0.0	-65.95	371.75	8.45	-57.50
CC1=CC(C[NH2+]CC2=CC(C(F)F)=NN2C)=CC(C)=C1OCC(=O)[O-]	REAL300018642797	0	46	0.0	-94.48	389.85	8.94	-85.54
CN1N=C(C(F)F)C=C1CNC1CC[NH+](CCCC(=O)[O-])CC1	REAL300018642798	0	47	0.0	-64.32	372.85	6.85	-57.47
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1=CC(C(F)F)=NN1C	REAL300018642799	1	45	0.0	-83.49	380.29	6.92	-76.57
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018642800	0	40	0.0	-90.27	348.09	7.55	-82.72
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(OCC(=O)[O-])C=C1	REAL300018642801	0	40	0.0	-90.27	348.09	7.55	-82.72
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CSC(C(=O)[O-])=C1	REAL300018642802	0	33	0.0	-83.98	307.14	6.35	-77.63
CN1N=C(C(F)F)C=C1C[NH2+]C1CCC(CC(=O)[O-])CC1	REAL300018642803	0	42	0.0	-75.64	326.79	7.42	-68.22
CC(OC1=CC=C(C[NH2+]CC2=CC(C(F)F)=NN2C)C=C1)C(=O)[O-]	REAL300018642804	0	43	0.0	-91.19	365.98	8.14	-83.05
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2=CC(C(F)F)=NN2C)C=C1	REAL300018642805	0	43	0.0	-86.45	375.55	7.21	-79.24
CC1CC([NH2+]CC2=CC(C(F)F)=NN2C)CCC1C(=O)[O-]	REAL300018642806	0	42	0.0	-80.04	325.22	6.85	-73.19
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C=CC(=O)[O-])O1	REAL300018642807	1	37	0.0	-93.86	334.28	5.31	-88.55
CN1N=C(C(F)F)C=C1C[NH2+]C1CCCC(C(F)(F)C(=O)[O-])C1	REAL300018642808	0	42	0.0	-77.16	345.65	7.44	-69.72
CN1N=C(C(F)F)C=C1C[NH2+]C1CCC(C(F)(F)C(=O)[O-])C1	REAL300018642809	0	39	0.0	-76.71	329.32	6.95	-69.76
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(Cl)=C1	REAL300018642810	0	36	0.0	-94.20	329.02	7.64	-86.56
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=CC(C(F)F)=NN1C	REAL300018642811	0	44	0.0	-65.48	335.21	7.52	-57.96
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=CC(C(F)F)=NN1C	REAL300018642812	0	42	0.0	-76.18	332.37	7.74	-68.44
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1C(F)(F)F	REAL300018642813	0	39	0.0	-86.99	344.93	8.30	-78.69
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018642814	0	36	0.0	-92.72	332.75	7.73	-84.99
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2=CC(C(F)F)=NN2C)O1	REAL300018642815	1	39	0.0	-82.42	339.05	6.99	-75.43
CN1N=C(C(F)F)C=C1C[NH2+]C1CCCC(CCCC(=O)[O-])C1	REAL300018642816	0	48	0.0	-80.59	370.70	9.01	-71.58
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=CC(C(F)F)=NN1C	REAL300018642817	0	47	0.0	-80.96	369.46	8.17	-72.79
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CN(CC(=O)[O-])N=C1C1=CC=CC=C1	REAL300018642818	0	46	0.0	-82.01	396.26	8.80	-73.21
CN1N=C(C(F)F)C=C1C[NH2+]C1CC(C(=O)[O-])(C2=CC=CC=C2)C1	REAL300018642819	0	43	0.0	-43.59	356.48	9.03	-34.56
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(CCC(=O)[O-])O1	REAL300018642820	1	39	0.0	-82.24	341.77	7.10	-75.14
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=C(F)C(C(=O)[O-])=C1	REAL300018642821	0	36	0.0	-92.72	321.05	7.27	-85.45
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC2=C(S1)SC(C(=O)[O-])=C2	REAL300018642822	0	36	0.0	-95.25	344.75	7.94	-87.31
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CN2N=CC(C(=O)[O-])=C2N=C1	REAL300018642823	1	38	0.0	-113.76	339.31	6.20	-107.56
CC(OC1=CC=C(Cl)C=C1C[NH2+]CC1=CC(C(F)F)=NN1C)C(=O)[O-]	REAL300018642824	1	43	0.0	-56.29	381.26	8.64	-47.65
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CN=C2C=CC(C(=O)[O-])=CN12	REAL300018642826	1	39	0.0	-77.32	343.36	7.67	-69.65
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1=CC(C(F)F)=NN1C	REAL300018642827	0	38	0.0	-95.95	327.90	6.04	-89.91
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=CN2C(C(=O)[O-])=CN=C12	REAL300018642828	0	39	0.0	-93.81	342.65	6.93	-86.88
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018642829	1	36	0.0	-74.58	328.23	7.64	-66.94
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC=NN1[C@H]1C[C@H](C(=O)[O-])C1	REAL300018642831	1	43	0.0	-93.98	364.06	7.11	-86.87
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018642832	0	39	0.0	-83.65	355.55	8.24	-75.41
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC(C(=O)[O-])=CC=C1O	REAL300018642833	0	37	0.0	-78.03	324.56	4.61	-73.42
CN1N=C(C(F)F)C=C1C[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018642834	0	36	0.0	-82.28	337.80	7.85	-74.43
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C(=O)[O-])C=C2)CC1	REAL300018642835	0	39	0.0	-80.92	306.17	9.93	-70.99
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C3=CC=CC=C3C(=O)[O-])O2)CC1	REAL300018642836	0	46	0.0	-64.39	363.27	12.54	-51.85
CC1=C(C(=O)[O-])C=C(C[NH+]2CCC(C)(C(F)(F)F)CC2)O1	REAL300018642837	0	39	0.0	-69.95	308.70	9.05	-60.90
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)CC1	REAL300018642839	0	46	0.0	-83.88	367.00	11.88	-72.00
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C3=CC=C(C(=O)[O-])C=C3)O2)CC1	REAL300018642840	0	46	0.0	-83.88	367.00	11.88	-72.00
CC1(C(F)(F)F)CC[NH+](CC2=CC=CC(C(=O)[O-])=C2)CC1	REAL300018642841	0	39	0.0	-73.68	306.13	9.92	-63.76
CC1(C(F)(F)F)CC[NH+](CC2=CN(C3=CC=CC=C3)N=C2C(=O)[O-])CC1	REAL300018642842	0	46	0.0	-57.34	363.42	11.25	-46.09
CC1=CC(C[NH+]2CCC(C)(C(F)(F)F)CC2)=CC(C)=C1OCC(=O)[O-]	REAL300018642843	0	49	0.0	-83.22	379.23	11.70	-71.52
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH+]1CCC(C)(C(F)(F)F)CC1	REAL300018642844	0	48	0.0	-72.89	366.61	9.50	-63.39
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018642845	0	43	0.0	-78.97	337.24	10.21	-68.76
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(OCC(=O)[O-])C=C2)CC1	REAL300018642846	0	43	0.0	-78.97	337.24	10.21	-68.76
CC1(C(F)(F)F)CC[NH+](CC2=CSC(C(=O)[O-])=C2)CC1	REAL300018642847	0	36	0.0	-71.75	296.96	9.05	-62.70
CC1(C(F)(F)F)CC[NH+](CC2=CC=CC(C(=O)[O-])=N2)CC1	REAL300018642848	0	38	0.0	-71.95	302.97	8.14	-63.81
CC(OC1=CC=C(C[NH+]2CCC(C)(C(F)(F)F)CC2)C=C1)C(=O)[O-]	REAL300018642849	0	46	0.0	-80.00	355.38	10.85	-69.15
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH+]2CCC(C)(C(F)(F)F)CC2)C=C1	REAL300018642850	0	46	0.0	-78.35	358.14	9.67	-68.68
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C=CC(=O)[O-])O2)CC1	REAL300018642851	0	40	0.0	-82.46	324.35	8.12	-74.34
CC1=C(C[NH+]2CCC(C)(C(F)(F)F)CC2)C=C(C(=O)[O-])O1	REAL300018642852	0	39	0.0	-73.50	309.44	9.15	-64.35
CC1=C(C(=O)[O-])OC(C[NH+]2CCC(C)(C(F)(F)F)CC2)=C1	REAL300018642853	0	39	0.0	-71.77	307.82	9.11	-62.66
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C(=O)[O-])C(Cl)=C2)CC1	REAL300018642854	0	39	0.0	-80.33	318.94	10.37	-69.96
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C(=O)[O-])C=C2C(F)(F)F)CC1	REAL300018642855	0	42	0.0	-73.02	334.63	10.82	-62.20
CN1C=C(C[NH+]2CCC(C)(C(F)(F)F)CC2)C(C(=O)[O-])=N1	REAL300018642856	0	39	0.0	-55.91	308.41	7.86	-48.05
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C(=O)[O-])C(Br)=C2)CC1	REAL300018642857	1	39	0.0	-79.03	322.68	10.46	-68.57
CCC1=C(C(=O)[O-])C=C(C[NH+]2CCC(C)(C(F)(F)F)CC2)O1	REAL300018642858	0	42	0.0	-69.71	329.60	9.77	-59.94
CC1(C(F)(F)F)CC[NH+](CC2=CN(CC(=O)[O-])N=C2C2=CC=CC=C2)CC1	REAL300018642859	0	49	0.0	-71.15	387.71	11.61	-59.54
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C(=O)[O-])C=N2)CC1	REAL300018642860	0	38	0.0	-71.62	301.84	8.49	-63.13
CN1N=C(C(=O)[O-])C=C1C[NH+]1CCC(C)(C(F)(F)F)CC1	REAL300018642861	1	39	0.0	-83.77	302.47	7.54	-76.23
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(CCC(=O)[O-])O2)CC1	REAL300018642862	0	42	0.0	-71.20	331.88	9.90	-61.30
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(F)C(C(=O)[O-])=C2)CC1	REAL300018642863	0	39	0.0	-78.24	310.99	10.00	-68.24
CC1(C(F)(F)F)CC[NH+](CC2=CC3=C(S2)SC(C(=O)[O-])=C3)CC1	REAL300018642864	0	39	0.0	-82.04	335.15	10.71	-71.33
CC1(C(F)(F)F)CC[NH+](CC2=CN3N=CC(C(=O)[O-])=C3N=C2)CC1	REAL300018642865	1	41	0.0	-99.72	329.96	8.90	-90.82
CC1(C(F)(F)F)CC[NH+](CC2=CC=C(C(=O)[O-])N=C2)CC1	REAL300018642866	0	38	0.0	-83.95	302.24	8.20	-75.75
CC(OC1=CC=C(Cl)C=C1C[NH+]1CCC(C)(C(F)(F)F)CC1)C(=O)[O-]	REAL300018642867	1	46	0.0	-53.25	371.65	11.39	-41.86
CC1(C(F)(F)F)CC[NH+](CC2=C(F)C=C(C(=O)[O-])C=C2F)CC1	REAL300018642868	1	39	0.0	-64.38	315.10	9.95	-54.43
CC1(C(F)(F)F)CC[NH+](CC2=CN=C3C=CC(C(=O)[O-])=CN23)CC1	REAL300018642869	1	42	0.0	-64.91	334.43	10.36	-54.55
CC1=CC(C(=O)[O-])=NC=C1C[NH+]1CCC(C)(C(F)(F)F)CC1	REAL300018642870	0	41	0.0	-84.56	318.94	8.84	-75.72
CC1(C(F)(F)F)CC[NH+](CC2=CC=CN3C(C(=O)[O-])=CN=C23)CC1	REAL300018642871	0	42	0.0	-82.31	332.91	9.73	-72.58
CC1(C(F)(F)F)CC[NH+](CC2=CC=CC(C(=O)[O-])=C2Br)CC1	REAL300018642872	0	39	0.0	-68.50	318.69	10.46	-58.04
CC1(C(F)(F)F)CC[NH+](CC2=CC=NN2[C@H]2C[C@H](C(=O)[O-])C2)CC1	REAL300018642874	1	46	0.0	-81.88	354.63	9.89	-71.99
CC1(C(F)(F)F)CC[NH+](CC2=CC(C(=O)[O-])=CC(C(F)(F)F)=C2)CC1	REAL300018642875	0	42	0.0	-71.07	345.50	10.99	-60.08
CC1(C(F)(F)F)CC[NH+](CC2=CC(C(=O)[O-])=CC=C2O)CC1	REAL300018642876	0	40	0.0	-68.31	315.67	7.45	-60.86
CC1(C(F)(F)F)CC[NH+](CC2=CC(Br)=CC(C(=O)[O-])=C2)CC1	REAL300018642877	1	39	0.0	-69.91	327.74	10.59	-59.32
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC(Cl)=CC2=C1OCC2	REAL300018642879	1	42	0.0	-34.40	329.58	10.09	-24.31
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC(Cl)=CC2=C1OCC2	REAL300018642879	1	42	0.0	-28.33	315.14	9.70	-18.63
COC1=CC=C(OC2=CC=C(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300018642880	0	52	0.0	-32.31	387.74	11.42	-20.89
COC1=CC=C(OC2=CC=C(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C=C1	REAL300018642880	1	52	0.0	-38.21	396.57	11.93	-26.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300018642883	0	44	0.0	-46.58	354.28	10.50	-36.08
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OCC(F)(F)F)C(F)=C1	REAL300018642883	1	44	0.0	-36.89	347.88	10.13	-26.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC=CC1=CC=C(F)C=C1F	REAL300018642884	0	41	0.0	-40.51	321.96	11.23	-29.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC=CC1=CC=C(F)C=C1F	REAL300018642884	1	41	0.0	-36.11	314.11	10.82	-25.29
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=C(Br)C=CS1	REAL300018642885	1	34	0.0	-32.94	289.11	9.49	-23.45
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=C(Br)C=CS1	REAL300018642885	1	34	0.0	-27.62	274.98	8.83	-18.79
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC(Br)=CC2=C1OCC2	REAL300018642886	1	42	0.0	-34.08	334.14	10.20	-23.88
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC(Br)=CC2=C1OCC2	REAL300018642886	1	42	0.0	-28.19	319.70	9.80	-18.39
CC(C)C1=CC=C(CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642887	0	49	0.0	-36.34	351.93	12.08	-24.26
CC(C)C1=CC=C(CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642887	1	49	0.0	-37.32	361.65	12.66	-24.66
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300018642888	0	43	0.0	-33.59	358.33	11.33	-22.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300018642888	1	43	0.0	-30.40	354.48	10.97	-19.43
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300018642889	0	56	0.0	-36.84	416.71	13.44	-23.40
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300018642889	1	56	0.0	-30.72	406.90	12.72	-18.00
C[NH+](C)CC1=CN=C(CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])S1	REAL300018642890	1	44	0.0	-79.37	338.58	6.74	-72.63
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018642891	0	47	0.0	-37.24	377.73	12.14	-25.10
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018642891	1	47	0.0	-34.37	366.98	11.49	-22.88
COCCOCC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642893	0	51	0.0	-33.73	381.60	9.33	-24.40
COCCOCC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642893	1	51	0.0	-37.41	390.29	9.87	-27.54
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(C2CCCC2)C=C1	REAL300018642894	0	50	0.0	-34.40	363.01	13.10	-21.30
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(C2CCCC2)C=C1	REAL300018642894	1	50	0.0	-28.44	354.32	12.55	-15.89
CC1=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300018642895	1	47	0.0	-29.55	349.39	11.31	-18.24
CC1=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300018642895	1	47	0.0	-31.51	352.72	11.51	-20.00
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=NN1C1CCCC1	REAL300018642896	1	47	0.0	-32.68	343.83	10.22	-22.46
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=NN1C1CCCC1	REAL300018642896	1	47	0.0	-30.25	338.93	9.91	-20.34
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642897	0	47	0.0	-34.14	357.12	11.24	-22.90
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642897	1	47	0.0	-42.36	366.59	11.79	-30.57
CC1=CC(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300018642898	0	43	0.0	-31.89	325.80	10.89	-21.00
CC1=CC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC=C1C(F)(F)F	REAL300018642898	1	43	0.0	-36.91	333.91	11.39	-25.52
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN=NN1C1=CC=CC=C1	REAL300018642899	1	43	0.0	-34.67	328.04	9.47	-25.20
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN=NN1C1=CC=CC=C1	REAL300018642899	1	43	0.0	-28.65	322.30	9.01	-19.64
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018642900	0	47	0.0	-36.98	372.44	10.22	-26.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300018642900	1	47	0.0	-33.10	360.64	9.54	-23.56
COC1=CC=C(C2=CC(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300018642901	0	53	0.0	-35.29	404.42	8.38	-26.91
COC1=CC=C(C2=CC(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC3=C2OCO3)C=N1	REAL300018642901	1	53	0.0	-40.06	413.33	8.94	-31.12
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C2OCCOC2=C1	REAL300018642902	0	43	0.0	-39.30	323.71	9.05	-30.25
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C2OCCOC2=C1	REAL300018642902	1	43	0.0	-31.86	315.23	8.52	-23.34
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=CC(Br)=C1	REAL300018642903	1	37	0.0	-32.52	300.50	10.50	-22.02
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=CC(Br)=C1	REAL300018642903	1	37	0.0	-30.16	291.81	9.97	-20.19
COC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300018642904	0	45	0.0	-32.42	329.44	8.57	-23.85
COC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300018642904	1	45	0.0	-39.42	338.38	9.12	-30.30
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=CC=C1C(F)(F)F	REAL300018642905	0	40	0.0	-40.58	302.93	10.62	-29.96
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=CC=C1C(F)(F)F	REAL300018642905	1	40	0.0	-40.11	298.27	10.21	-29.90
CCOC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300018642906	0	48	0.0	-32.25	351.32	9.49	-22.76
CCOC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1OC	REAL300018642906	1	48	0.0	-37.23	360.23	10.05	-27.18
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300018642907	0	44	0.0	-32.21	347.56	11.88	-20.33
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300018642907	1	44	0.0	-29.41	337.81	11.36	-18.05
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC(Br)=CS1	REAL300018642908	1	34	0.0	-33.40	291.43	9.58	-23.82
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC(Br)=CS1	REAL300018642908	1	34	0.0	-28.27	282.78	9.12	-19.15
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018642909	1	43	0.0	-29.90	351.61	10.92	-18.98
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300018642909	1	43	0.0	-28.52	342.97	10.26	-18.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(N2C=CC=N2)C=C1	REAL300018642910	0	44	0.0	-43.38	337.75	11.11	-32.27
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(N2C=CC=N2)C=C1	REAL300018642910	1	44	0.0	-33.70	326.17	10.47	-23.23
COC1=NC2=CC=CC=C2C=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642911	0	46	0.0	-28.80	343.66	8.45	-20.35
COC1=NC2=CC=CC=C2C=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642911	1	46	0.0	-30.20	343.54	8.93	-21.27
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC(Cl)=CC=C1Cl	REAL300018642914	1	37	0.0	-33.33	307.39	10.85	-22.48
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC(Cl)=CC=C1Cl	REAL300018642914	1	37	0.0	-28.44	290.40	9.82	-18.62
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(F)C=C1C(F)(F)F	REAL300018642915	1	40	0.0	-42.22	309.25	10.70	-31.52
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(F)C=C1C(F)(F)F	REAL300018642915	1	40	0.0	-40.53	304.42	10.26	-30.27
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300018642919	0	46	0.0	-41.63	348.60	11.60	-30.03
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300018642919	1	46	0.0	-34.40	342.88	11.25	-23.15
CC1=NN(C(C)(C)C)C(C)=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642920	0	52	0.0	-30.51	360.41	9.71	-20.80
CC1=NN(C(C)(C)C)C(C)=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642920	1	52	0.0	-31.81	369.00	10.20	-21.61
CC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(Br)=C1	REAL300018642922	1	40	0.0	-28.35	302.83	10.26	-18.09
CC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(Br)=C1	REAL300018642922	1	40	0.0	-34.70	314.46	11.06	-23.64
COC1=CC=C2OC(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC2=C1	REAL300018642924	0	44	0.0	-30.68	329.70	9.23	-21.45
COC1=CC=C2OC(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC2=C1	REAL300018642924	1	44	0.0	-34.11	338.69	9.82	-24.29
CC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300018642925	1	40	0.0	-28.71	310.23	10.55	-18.16
CC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1Br	REAL300018642925	1	40	0.0	-31.97	316.64	10.92	-21.05
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN=C2C=CSC2=C1	REAL300018642926	0	39	0.0	-37.33	311.23	9.31	-28.02
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN=C2C=CSC2=C1	REAL300018642926	1	39	0.0	-30.31	298.64	8.58	-21.73
CN1C2=CC(Cl)=CC=C2N=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642927	1	43	0.0	-32.72	336.44	10.21	-22.51
CN1C2=CC(Cl)=CC=C2N=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642927	1	43	0.0	-28.50	341.40	10.67	-17.83
CC1=CC(Cl)=CC(C)=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642928	0	43	0.0	-28.26	315.61	10.86	-17.40
CC1=CC(Cl)=CC(C)=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642928	1	43	0.0	-31.01	318.16	11.20	-19.81
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OC(F)F)C(F)=C1	REAL300018642929	0	41	0.0	-40.21	322.61	9.38	-30.83
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OC(F)F)C(F)=C1	REAL300018642929	1	41	0.0	-32.93	316.21	9.01	-23.92
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300018642931	0	51	0.0	-40.66	397.15	13.28	-27.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300018642931	1	51	0.0	-31.55	388.25	12.70	-18.85
CN1C2=CC=C(Cl)C=C2N=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642932	1	43	0.0	-29.89	330.12	9.91	-19.98
CN1C2=CC=C(Cl)C=C2N=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642932	1	43	0.0	-28.56	341.93	10.75	-17.81
CC(C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018642933	0	43	0.0	-29.67	330.36	11.26	-18.41
CC(C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018642933	1	43	0.0	-36.69	338.31	11.79	-24.90
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018642935	0	46	0.0	-31.95	346.72	11.27	-20.68
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(C2=CC=NC=C2)C=C1F	REAL300018642935	1	46	0.0	-35.03	340.96	10.87	-24.16
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1CCOC2=CC=CC=C21	REAL300018642936	0	45	0.0	-30.71	315.20	10.02	-20.69
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1CCOC2=CC=CC=C21	REAL300018642936	1	45	0.0	-36.39	317.61	9.82	-26.57
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642937	0	59	0.0	-36.80	420.77	12.99	-23.81
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642937	1	59	0.0	-35.08	431.82	13.48	-21.60
CC1(C)CCC2=C(C1)SC(C[N@@H+]1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300018642938	1	49	0.0	-28.70	356.41	10.10	-18.60
CC1(C)CCC2=C(C1)SC(C[N@H+]1C[C@@H]3CCC[C@@H]3[C@@H]1C(=O)[O-])=N2	REAL300018642938	1	49	0.0	-35.84	363.19	10.46	-25.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN=C(C2CCCO2)S1	REAL300018642939	1	44	0.0	-36.69	343.57	8.15	-28.54
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN=C(C2CCCO2)S1	REAL300018642939	1	44	0.0	-31.71	335.11	7.62	-24.09
CCN1N=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C21	REAL300018642942	0	46	0.0	-29.13	342.04	10.06	-19.07
CCN1N=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C2=CC=CC=C21	REAL300018642942	1	46	0.0	-37.30	348.21	10.45	-26.85
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300018642943	0	49	0.0	-36.45	381.42	13.13	-23.32
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300018642943	1	49	0.0	-37.16	374.30	12.74	-24.42
CCSC1=CC=CC(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300018642944	0	44	0.0	-31.53	332.74	11.22	-20.31
CCSC1=CC=CC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1	REAL300018642944	1	44	0.0	-32.11	341.15	11.79	-20.32
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCSCC1=CC=CC=C1	REAL300018642945	0	44	0.0	-37.56	345.32	11.98	-25.58
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCSCC1=CC=CC=C1	REAL300018642945	1	44	0.0	-39.26	338.31	11.55	-27.71
COC1=CC=C(C2=CC=NC=C2)C=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642946	0	50	0.0	-32.30	360.53	10.41	-21.89
COC1=CC=C(C2=CC=NC=C2)C=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642946	1	50	0.0	-38.70	378.46	11.01	-27.69
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCC1=CC=C2OCCC2=C1	REAL300018642947	0	48	0.0	-39.07	358.35	11.31	-27.76
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCC1=CC=C2OCCC2=C1	REAL300018642947	1	48	0.0	-35.41	349.30	10.77	-24.64
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018642949	0	47	0.0	-35.42	367.50	11.43	-23.99
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300018642949	1	47	0.0	-34.22	361.84	11.08	-23.14
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCC1=C(F)C=CC=C1Cl	REAL300018642950	0	43	0.0	-34.94	341.55	11.87	-23.07
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCC1=C(F)C=CC=C1Cl	REAL300018642950	1	43	0.0	-32.65	333.40	11.40	-21.25
CC1=NC2=CC=C(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2C=C1	REAL300018642951	0	45	0.0	-33.04	333.18	10.33	-22.71
CC1=NC2=CC=C(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2C=C1	REAL300018642951	1	45	0.0	-40.92	340.86	10.75	-30.17
CC(C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300018642952	0	43	0.0	-29.82	325.79	11.16	-18.66
CC(C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=CC(Cl)=C1	REAL300018642952	1	43	0.0	-36.90	333.74	11.69	-25.21
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642954	0	43	0.0	-30.92	326.56	11.04	-19.88
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642954	1	43	0.0	-35.23	330.37	11.40	-23.83
COC1=CC=C2N=C(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])SC2=C1	REAL300018642955	1	43	0.0	-28.41	330.85	8.03	-20.38
COC1=CC=C2N=C(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])SC2=C1	REAL300018642955	1	43	0.0	-36.52	340.71	8.63	-27.89
CCN(C)C1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642957	0	47	0.0	-30.56	341.75	10.18	-20.38
CCN(C)C1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642957	1	47	0.0	-38.06	349.32	10.62	-27.44
COCCN(C)C1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642958	0	51	0.0	-30.86	368.59	9.06	-21.80
COCCN(C)C1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642958	1	51	0.0	-35.20	381.17	9.79	-25.41
CC(C)N(C)C1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642959	0	50	0.0	-29.62	353.43	10.41	-19.21
CC(C)N(C)C1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642959	1	50	0.0	-34.44	366.01	11.14	-23.30
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OCC2CC2)C=C1	REAL300018642960	0	48	0.0	-35.37	358.70	11.51	-23.86
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OCC2CC2)C=C1	REAL300018642960	1	48	0.0	-30.23	350.69	11.02	-19.21
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(Br)C2=CC=CN=C12	REAL300018642964	1	42	0.0	-38.95	338.29	10.89	-28.06
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(Br)C2=CC=CN=C12	REAL300018642964	1	42	0.0	-29.85	323.82	10.93	-18.92
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OC2=CC=CC=C2)O1	REAL300018642966	0	45	0.0	-32.01	347.73	11.68	-20.33
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OC2=CC=CC=C2)O1	REAL300018642966	1	45	0.0	-29.05	337.85	11.10	-17.95
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642967	0	51	0.0	-30.58	367.75	12.35	-18.23
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642967	1	51	0.0	-37.49	383.02	12.76	-24.73
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(SC(F)F)C=C1	REAL300018642968	0	41	0.0	-35.18	329.21	11.17	-24.01
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(SC(F)F)C=C1	REAL300018642968	1	41	0.0	-30.58	320.68	10.64	-19.94
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(SC2=CC=CC=N2)O1	REAL300018642969	1	44	0.0	-31.60	357.02	11.07	-20.53
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(SC2=CC=CC=N2)O1	REAL300018642969	1	44	0.0	-30.88	348.79	10.62	-20.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300018642970	0	48	0.0	-37.90	373.54	12.71	-25.19
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300018642970	1	48	0.0	-30.92	365.62	12.27	-18.65
CC(C)(C)C1=CC=C(CC[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642971	0	52	0.0	-36.20	367.91	12.47	-23.73
CC(C)(C)C1=CC=C(CC[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642971	1	52	0.0	-37.31	377.62	13.05	-24.26
CCOC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300018642973	0	44	0.0	-33.35	328.31	9.67	-23.68
CCOC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1F	REAL300018642973	1	44	0.0	-42.20	334.71	10.03	-32.17
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN=C(C2=CC=CO2)S1	REAL300018642974	0	40	0.0	-33.85	325.10	8.87	-24.98
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN=C(C2=CC=CO2)S1	REAL300018642974	1	40	0.0	-30.31	319.31	8.49	-21.82
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OCCCCl)C=C1	REAL300018642976	0	47	0.0	-38.80	369.47	11.57	-27.23
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OCCCCl)C=C1	REAL300018642976	1	47	0.0	-32.04	360.88	11.03	-21.01
CN1C=C(C2=CC=C(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C=N1	REAL300018642977	0	47	0.0	-35.53	351.14	10.66	-24.87
CN1C=C(C2=CC=C(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C2)C=N1	REAL300018642977	1	47	0.0	-41.37	359.85	11.21	-30.16
CN(C)C1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300018642978	0	48	0.0	-39.86	348.71	10.56	-29.30
CN(C)C1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C(C(F)(F)F)=C1	REAL300018642978	1	48	0.0	-40.06	353.49	11.01	-29.05
CN(C1=CC=CC=C1)C1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642979	0	51	0.0	-32.66	380.75	12.65	-20.01
CN(C1=CC=CC=C1)C1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=N1	REAL300018642979	1	51	0.0	-35.23	389.42	13.06	-22.17
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1CCC(C2=CC=CC=C2)CC1	REAL300018642980	0	53	0.0	-36.62	369.17	13.34	-23.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1CCC(C2=CC=CC=C2)CC1	REAL300018642980	1	53	0.0	-34.00	366.86	13.02	-20.98
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300018642981	0	56	0.0	-33.77	397.15	15.23	-18.54
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300018642981	1	56	0.0	-29.01	391.62	14.47	-14.54
CN1C=C(C2=CC=C(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])S2)C=N1	REAL300018642983	0	44	0.0	-33.29	346.59	10.14	-23.15
CN1C=C(C2=CC=C(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])S2)C=N1	REAL300018642983	1	44	0.0	-36.59	354.00	10.65	-25.94
CC(C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018642984	0	46	0.0	-38.29	346.72	11.74	-26.55
CC(C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300018642984	1	46	0.0	-42.25	355.29	12.12	-30.13
COC1=CC=CC(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300018642986	0	45	0.0	-29.17	324.29	8.72	-20.45
COC1=CC=CC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=C1OC	REAL300018642986	1	45	0.0	-39.17	338.88	9.13	-30.04
CC1=NN(C)C2=NC=C(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300018642987	0	45	0.0	-34.50	336.84	9.04	-25.46
CC1=NN(C)C2=NC=C(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])C=C12	REAL300018642987	1	45	0.0	-42.53	342.12	9.43	-33.10
CN1N=NC2=CC(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300018642988	0	42	0.0	-37.18	310.56	7.56	-29.62
CN1N=NC2=CC(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CC=C21	REAL300018642988	1	42	0.0	-48.93	323.62	8.36	-40.57
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCCCOC1=CC=CC=C1	REAL300018642989	0	50	0.0	-38.15	373.69	11.82	-26.33
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CCCCCOC1=CC=CC=C1	REAL300018642989	1	50	0.0	-35.73	363.82	11.20	-24.53
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OC(F)F)C(Br)=C1	REAL300018642990	1	41	0.0	-38.78	336.81	9.98	-28.80
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OC(F)F)C(Br)=C1	REAL300018642990	1	41	0.0	-31.89	330.40	9.61	-22.28
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300018642991	0	51	0.0	-37.62	400.60	13.39	-24.23
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300018642991	1	51	0.0	-30.92	392.28	12.89	-18.03
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018642992	0	50	0.0	-45.16	402.80	12.57	-32.59
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300018642992	1	50	0.0	-34.51	394.16	12.02	-22.49
COCC(C)OC1=CC=C(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642993	0	51	0.0	-32.01	373.45	9.61	-22.40
COCC(C)OC1=CC=C(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])C=C1	REAL300018642993	1	51	0.0	-36.50	381.04	10.12	-26.38
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=NN1CCC1=CC=CC=C1	REAL300018642994	1	50	0.0	-34.59	383.78	12.14	-22.45
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=NN1CCC1=CC=CC=C1	REAL300018642994	1	50	0.0	-28.92	370.95	11.69	-17.23
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CC=C(OC2CCOC2)C=C1	REAL300018642996	0	49	0.0	-36.71	363.79	9.44	-27.27
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CC=C(OC2CCOC2)C=C1	REAL300018642996	1	49	0.0	-31.35	356.59	9.04	-22.31
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@@H+]1CC1=CN=C(C2=CC=CC=C2F)S1	REAL300018642997	0	43	0.0	-38.38	349.42	11.12	-27.26
O=C([O-])[C@H]1[C@H]2CCC[C@H]2C[N@H+]1CC1=CN=C(C2=CC=CC=C2F)S1	REAL300018642997	1	43	0.0	-31.92	340.83	10.63	-21.29
CN1C=C(C2=NC(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CS2)C=N1	REAL300018642998	1	43	0.0	-31.45	341.04	7.97	-23.48
CN1C=C(C2=NC(C[N@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])=CS2)C=N1	REAL300018642998	1	43	0.0	-31.94	349.47	8.56	-23.38
COC1=CC=C(C2=CC=CC=C2C)C=C1C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642999	0	54	0.0	-31.05	391.52	13.07	-17.98
COC1=CC=C(C2=CC=CC=C2C)C=C1C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-]	REAL300018642999	1	54	0.0	-34.15	405.11	13.42	-20.73
COC1=CC(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300018643000	0	52	0.0	-39.21	398.08	9.75	-29.46
COC1=CC(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300018643000	1	52	0.0	-42.25	402.61	10.08	-32.17
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1F	REAL300018644513	0	50	0.0	-79.07	366.86	9.47	-69.60
CC1(C)CCCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644514	0	56	0.0	-66.21	366.09	9.15	-57.06
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])CCC1(C(=O)[O-])CC2	REAL300018644516	0	49	0.0	-74.43	376.77	9.87	-64.56
CC(C)=CCCC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644517	0	56	0.0	-70.19	389.40	9.88	-60.31
CC1(C)CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC(C)(C)C1	REAL300018644518	0	62	0.0	-70.82	410.28	10.06	-60.76
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644519	0	60	0.0	-74.88	429.01	10.94	-63.94
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(Cl)=C1OC	REAL300018644520	0	55	0.0	-76.02	414.84	8.57	-67.45
CC1(C)OC2(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644521	0	54	0.0	-78.80	407.51	11.39	-67.41
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CC=C4S3)CCC1(C(=O)[O-])CC2	REAL300018644522	0	50	0.0	-77.45	377.63	10.31	-67.14
CC(C)OC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644523	0	57	0.0	-77.98	410.20	9.65	-68.33
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1F	REAL300018644524	0	50	0.0	-81.16	366.85	9.46	-71.70
CC1CCC(C)C([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644525	0	56	0.0	-67.82	370.28	9.22	-58.60
CC1(C)OC2(C[NH2+]CC3=C4NC=CC4=CC=C3)CCC1(C(=O)[O-])CC2	REAL300018644526	0	51	0.0	-77.67	371.59	8.77	-68.90
CC1(C)OC2(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)CCC1(C(=O)[O-])CC2	REAL300018644527	0	46	0.0	-91.07	360.29	8.59	-82.48
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3N3CCOCC3)CCC1(C(=O)[O-])CC2	REAL300018644528	0	60	0.0	-72.38	424.68	8.34	-64.04
CC1CC(C)CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644529	0	56	0.0	-70.13	380.70	9.37	-60.76
CC(C)CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644530	0	59	0.0	-74.51	421.28	11.45	-63.06
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=C2)C=C1	REAL300018644531	0	60	0.0	-78.48	435.75	12.85	-65.63
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC(C)=C1	REAL300018644532	0	53	0.0	-74.89	382.95	10.09	-64.80
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1[N+](=O)[O-]	REAL300018644533	0	53	0.0	-92.93	395.67	9.50	-83.43
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)CCC1(C(=O)[O-])CC2	REAL300018644534	0	47	0.0	-81.29	373.60	9.78	-71.51
CC1=CC=CC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644535	0	53	0.0	-73.72	373.31	9.85	-63.87
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644536	0	60	0.0	-77.17	436.21	12.85	-64.32
CC1(C)OC2(C[NH2+]CC3=CC=CC(OC(F)F)=C3)CCC1(C(=O)[O-])CC2	REAL300018644537	0	51	0.0	-80.58	379.40	8.35	-72.23
CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1OCC	REAL300018644538	0	61	0.0	-81.93	442.59	9.80	-72.13
CC1(C)OC2(C[NH2+]CC3=NC=CS3)CCC1(C(=O)[O-])CC2	REAL300018644539	0	43	0.0	-73.64	325.01	5.91	-67.73
CC(C)C1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644540	0	59	0.0	-68.61	388.56	10.08	-58.53
CC1(C)OC2(C[NH2+]CC3=CN=CN=C3)CCC1(C(=O)[O-])CC2	REAL300018644541	0	45	0.0	-83.45	329.77	6.77	-76.68
CC1(C)OC2(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644542	0	50	0.0	-88.81	379.77	7.86	-80.95
CC1(C)OC2(C[NH2+]CC3=CC=NC4=CC=CC=C34)CCC1(C(=O)[O-])CC2	REAL300018644543	0	52	0.0	-84.60	376.58	9.03	-75.57
CC1(C)OC2(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)CCC1(C(=O)[O-])CC2	REAL300018644544	0	51	0.0	-80.41	386.24	8.58	-71.83
CC1(C)OC2(C[NH2+]CC3=CC=C(S(C)(=O)=O)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644545	0	53	0.0	-88.24	400.85	6.30	-81.94
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644546	0	60	0.0	-72.93	431.13	10.17	-62.76
CC1(C)OC2(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644547	0	54	0.0	-77.72	400.64	11.06	-66.66
CC(C)CCCC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644548	0	58	0.0	-69.25	397.75	9.95	-59.30
CCCCC(CC)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644549	0	55	0.0	-67.74	372.70	9.26	-58.48
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C2=CC=CC=C12	REAL300018644550	0	57	0.0	-79.73	409.55	10.25	-69.48
CCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644551	0	50	0.0	-73.57	373.84	9.47	-64.10
CC1(C)OC2(C[NH2+]CC3=CCCOC3)CCC1(C(=O)[O-])CC2	REAL300018644552	0	49	0.0	-75.22	347.11	6.59	-68.63
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644553	0	53	0.0	-83.01	387.49	9.13	-73.88
CC1(C)OC2(C[NH2+]CC3=CC=C4OCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644554	0	52	0.0	-79.94	376.03	8.60	-71.34
CC1(C)OC2(C[NH2+]CC3=CSC(Br)=C3)CCC1(C(=O)[O-])CC2	REAL300018644555	0	44	0.0	-79.14	351.80	8.46	-70.68
CC1(C)OC2(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644556	0	58	0.0	-80.69	414.07	8.67	-72.02
CC1(C)OC2(C[NH2+]CC3=CC=CC(NS(C)(=O)=O)=C3)CCC1(C(=O)[O-])CC2	REAL300018644557	0	55	0.0	-81.67	417.49	5.40	-76.27
CC1(C)OC2(C[NH2+]CC3=CN=CS3)CCC1(C(=O)[O-])CC2	REAL300018644558	0	43	0.0	-77.54	324.89	6.02	-71.52
CC1(C)OC2(C[NH2+]CC3=C4C=CNC4=CC=C3)CCC1(C(=O)[O-])CC2	REAL300018644559	0	51	0.0	-73.89	371.32	8.78	-65.11
CN1C=NC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644560	0	47	0.0	-80.08	340.37	7.90	-72.18
CC1(C)OC2(C[NH2+]CC3=CC=C4C=CNC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644561	0	51	0.0	-78.54	371.50	8.79	-69.75
CC1=NN(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644562	0	50	0.0	-82.40	362.80	6.94	-75.46
CC(CC1=CC=CS1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644563	0	50	0.0	-66.06	365.12	9.18	-56.88
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)CCC1(C(=O)[O-])CC2	REAL300018644564	0	50	0.0	-78.62	379.69	7.86	-70.76
CC1=CC(F)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644565	0	50	0.0	-79.58	361.34	9.46	-70.12
CC1(C)CCC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CC=C2O1	REAL300018644566	0	61	0.0	-78.03	430.77	10.59	-67.44
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644567	0	62	0.0	-71.01	419.28	11.70	-59.31
CN(C)C1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644568	0	55	0.0	-69.00	393.23	8.78	-60.22
CC1(C)OC2(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644569	0	56	0.0	-80.11	409.37	10.41	-69.70
CC1(C)OC2(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644570	0	56	0.0	-82.07	409.66	10.44	-71.63
CC1(C)OC2(C[NH2+]CC3=CSC=N3)CCC1(C(=O)[O-])CC2	REAL300018644571	0	43	0.0	-73.70	324.86	5.80	-67.90
CC1(C)OC2(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644572	0	56	0.0	-83.49	421.56	7.26	-76.23
CC1(C)OC2(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644573	0	57	0.0	-78.24	400.03	6.60	-71.64
CC1(C)OC2(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644574	0	61	0.0	-73.94	426.84	7.29	-66.65
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644575	0	54	0.0	-83.68	405.38	10.04	-73.64
CC1=NNC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644576	0	50	0.0	-78.34	360.66	6.31	-72.03
CC(C)(C)N1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300018644577	0	56	0.0	-77.25	402.90	8.58	-68.67
CN1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644578	0	47	0.0	-81.80	340.65	6.30	-75.50
COC1=CC=CC(C2=NNC=C2C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644579	0	58	0.0	-81.51	425.63	7.92	-73.59
CC1(C)OC2(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644580	0	57	0.0	-84.66	409.16	8.64	-76.02
CC(C)C1=NN(C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644582	0	56	0.0	-78.91	405.37	8.41	-70.50
COCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644583	0	58	0.0	-77.12	425.12	8.26	-68.86
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1Cl	REAL300018644584	0	51	0.0	-81.93	385.67	8.61	-73.32
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644585	0	52	0.0	-78.35	400.50	7.68	-70.67
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644586	0	59	0.0	-81.94	421.62	10.34	-71.60
COC1=NC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644587	0	50	0.0	-73.37	365.91	5.55	-67.82
CC1(C)OC2(C[NH2+]CC3=CC=C(Br)C=N3)CCC1(C(=O)[O-])CC2	REAL300018644588	0	46	0.0	-78.34	356.52	7.54	-70.80
CC1(C)OC2(C[NH2+]CC3=CN=C(N4CCOCC4)S3)CCC1(C(=O)[O-])CC2	REAL300018644589	0	56	0.0	-79.33	413.91	6.10	-73.23
CC1(C)OC2(C[NH2+]CC3=CC=CC4=NC=CC=C34)CCC1(C(=O)[O-])CC2	REAL300018644590	0	52	0.0	-84.04	376.34	9.04	-75.00
CC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644591	0	46	0.0	-77.23	346.84	6.73	-70.50
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3OCCO4)CCC1(C(=O)[O-])CC2	REAL300018644592	0	53	0.0	-73.33	383.14	8.00	-65.33
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3OCCCO4)CCC1(C(=O)[O-])CC2	REAL300018644593	0	56	0.0	-74.84	399.96	8.79	-66.05
CC1(C)OC2(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644594	0	54	0.0	-75.77	399.70	11.08	-64.69
CC1(C)OC2(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)CCC1(C(=O)[O-])CC2	REAL300018644595	0	54	0.0	-75.64	397.60	10.95	-64.69
CC1(C)OC2(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644596	0	55	0.0	-85.68	409.30	10.05	-75.63
CC1(C)OC2(C[NH2+]CC3=CN=C(N4CCOCC4)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644597	0	58	0.0	-85.68	418.29	7.14	-78.54
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644598	0	59	0.0	-82.04	430.80	10.79	-71.25
CCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644599	0	57	0.0	-75.79	413.00	9.80	-65.99
CC(CN1C=NC=N1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644600	0	49	0.0	-70.69	349.45	9.15	-61.54
C#CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644601	0	56	0.0	-78.79	418.77	10.31	-68.48
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)CCC1(C(=O)[O-])CC2	REAL300018644602	0	54	0.0	-77.32	406.29	11.37	-65.95
CC1=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C=NC2=NN1	REAL300018644603	0	52	0.0	-92.75	383.20	7.29	-85.46
CC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300018644604	0	48	0.0	-83.56	351.61	6.74	-76.82
CC1(C)OC2(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644605	0	61	0.0	-75.35	434.36	10.99	-64.36
CCC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644606	0	49	0.0	-77.17	368.33	7.48	-69.69
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)CCC1(C(=O)[O-])CC2	REAL300018644607	0	53	0.0	-66.89	384.60	11.86	-55.03
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C2=CC=CN=C2)=N1	REAL300018644608	0	56	0.0	-79.14	414.03	8.14	-71.00
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C2=CC=NC=C2)=N1	REAL300018644609	0	56	0.0	-81.10	414.20	8.18	-72.92
CC1(C)OC2(C[NH2+]CC3=CN=C4C=CC=CN34)CCC1(C(=O)[O-])CC2	REAL300018644610	0	50	0.0	-82.94	367.09	9.23	-73.71
CN(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644611	0	51	0.0	-76.36	382.36	7.78	-68.58
CC(C)OC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644612	0	57	0.0	-75.55	410.26	9.67	-65.88
CC(C)C1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644613	0	52	0.0	-73.32	388.00	7.80	-65.52
CC1(C)OC2(C[NH2+]CC3=CSC(C4CC4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644614	0	50	0.0	-73.79	376.68	7.99	-65.80
CCC1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644615	0	49	0.0	-73.51	368.19	7.24	-66.27
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644616	0	56	0.0	-76.02	403.51	10.96	-65.06
CC1=CC=CC(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644617	0	59	0.0	-72.96	418.51	11.56	-61.40
CC1=CC=C(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644618	0	59	0.0	-73.47	418.51	11.57	-61.90
CC1(C)OC2(C[NH2+]C3CCC(F)(F)CC3)CCC1(C(=O)[O-])CC2	REAL300018644619	0	50	0.0	-77.34	350.15	8.28	-69.06
CC(C1=CC=CC=C1)N1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644620	0	62	0.0	-73.54	434.49	9.54	-64.00
CC1(C)OC2(C[NH2+]C3CCN(CC4CC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644621	1	59	0.0	-70.98	404.82	7.95	-63.03
CC(C)(C)C1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644622	0	55	0.0	-72.96	406.95	8.31	-64.65
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644623	0	50	0.0	-75.59	396.12	8.49	-67.10
CC1(C)OC2(C[NH2+]CC3=CC4=NC=CN=C4C=C3)CCC1(C(=O)[O-])CC2	REAL300018644624	0	51	0.0	-85.37	376.19	7.18	-78.19
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3OC3CCCC3)CCC1(C(=O)[O-])CC2	REAL300018644625	0	61	0.0	-69.05	432.84	11.04	-58.01
CC1(C)OC2(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)CCC1(C(=O)[O-])CC2	REAL300018644626	0	50	0.0	-77.63	383.94	9.78	-67.85
CC(C)(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644627	0	55	0.0	-75.74	406.88	8.52	-67.22
CC(C)CN1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644628	1	61	0.0	-70.59	414.52	8.15	-62.44
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C(C)S1	REAL300018644629	0	50	0.0	-74.74	370.20	9.32	-65.42
CC1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)S2)C=C1	REAL300018644630	0	57	0.0	-76.85	429.49	12.24	-64.61
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCC1	REAL300018644631	0	53	0.0	-70.12	354.01	8.72	-61.40
C#CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644632	0	53	0.0	-80.31	397.28	9.54	-70.77
CC1(C)OC2(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644633	0	61	0.0	-74.84	427.18	7.57	-67.27
CC(C)(C)N1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644634	1	61	0.0	-70.43	403.24	7.28	-63.15
COCCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644635	0	61	0.0	-77.49	446.67	8.87	-68.62
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1SC	REAL300018644636	0	55	0.0	-82.35	409.05	9.11	-73.24
CCOCC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1OC	REAL300018644637	0	61	0.0	-75.62	443.83	9.00	-66.62
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)CCC1(C(=O)[O-])CC2	REAL300018644638	0	54	0.0	-85.25	399.65	8.72	-76.53
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644639	0	56	0.0	-80.73	418.44	9.75	-70.98
C=CCCC(CC)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644640	0	53	0.0	-68.69	364.02	9.05	-59.64
CCN1C=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644641	0	50	0.0	-74.73	357.10	8.12	-66.61
CCCC(CC1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644642	0	59	0.0	-67.79	406.14	11.30	-56.49
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)CCC1(C(=O)[O-])CC2	REAL300018644643	0	53	0.0	-83.44	393.14	8.59	-74.85
CC1(C)OC2(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)CCC1(C(=O)[O-])CC2	REAL300018644644	0	53	0.0	-76.38	403.29	9.54	-66.84
CCN1N=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1C	REAL300018644645	0	56	0.0	-78.75	402.81	8.37	-70.38
C=CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1Cl	REAL300018644646	0	55	0.0	-82.12	420.43	10.12	-72.00
CC1(C)OC2(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)CCC1(C(=O)[O-])CC2	REAL300018644647	0	53	0.0	-78.02	405.07	9.75	-68.27
C=CCC(C)C(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644648	0	53	0.0	-69.88	362.62	8.75	-61.13
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644649	0	60	0.0	-73.48	424.20	9.67	-63.81
CC(C)CCC1CCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644650	0	62	0.0	-69.93	423.20	10.97	-58.96
CCCCC1CCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644651	0	59	0.0	-69.50	405.41	10.45	-59.05
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C2OC(C)CC2=C1	REAL300018644652	0	59	0.0	-72.44	426.67	8.66	-63.78
CN1N=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C2=CC=CC=C21	REAL300018644653	0	53	0.0	-78.32	390.19	8.68	-69.64
CN1C=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644654	0	47	0.0	-74.34	343.10	6.48	-67.86
CC1(C)OC2(C[NH2+]CC3=C4C=CC=CC4=NN3)CCC1(C(=O)[O-])CC2	REAL300018644655	0	50	0.0	-88.28	367.13	7.41	-80.87
CC1(C)OC2(C[NH2+]CC3=NNC4=CC=CC=C43)CCC1(C(=O)[O-])CC2	REAL300018644655	1	50	0.0	-78.57	367.33	7.39	-71.18
CN(C)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1F	REAL300018644656	0	55	0.0	-81.69	401.21	8.31	-73.38
CC1(C)OC2(C[NH2+]CC3=NC=CN3CC(F)(F)F)CCC1(C(=O)[O-])CC2	REAL300018644657	0	50	0.0	-78.03	377.77	8.32	-69.71
CC1(C)CC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CC=C2O1	REAL300018644659	0	58	0.0	-79.87	417.55	10.01	-69.86
CC1=NSC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644660	0	46	0.0	-81.14	346.80	7.21	-73.93
CC1(C)OC2(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644661	0	53	0.0	-78.55	396.89	7.20	-71.35
CC1(C)OC2(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)CCC1(C(=O)[O-])CC2	REAL300018644662	0	50	0.0	-76.01	396.72	8.58	-67.43
CC(CC1=CSC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644663	0	50	0.0	-67.88	365.02	8.98	-58.90
CC1(C)OC2(C[NH2+]CC3CCCCCCC3)CCC1(C(=O)[O-])CC2	REAL300018644664	0	59	0.0	-72.63	382.58	9.91	-62.72
CC1=CSC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644665	0	46	0.0	-73.78	346.72	6.50	-67.28
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644666	0	57	0.0	-77.89	417.56	9.29	-68.60
CC1=NC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644667	0	49	0.0	-79.25	350.66	7.51	-71.74
CC(CSC(C)(C)C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644668	0	56	0.0	-67.88	396.01	9.54	-58.34
CN(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N1C	REAL300018644669	0	55	0.0	-81.02	392.58	8.17	-72.85
CC1(C)OC2(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)CCC1(C(=O)[O-])CC2	REAL300018644670	0	54	0.0	-82.41	399.16	9.07	-73.34
CC(C)OCC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644671	0	53	0.0	-67.96	371.22	7.24	-60.72
CC(C)COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644672	0	60	0.0	-77.42	433.09	10.49	-66.93
COCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644673	0	58	0.0	-79.76	425.12	8.26	-71.50
COCC(CC(C)C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644674	0	56	0.0	-69.60	385.86	7.33	-62.27
CC1(C)CCCC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644675	0	59	0.0	-73.54	395.12	10.01	-63.53
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644676	0	58	0.0	-73.47	406.00	9.75	-63.72
CC1(C)CCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644677	0	53	0.0	-66.58	356.56	9.06	-57.52
CC1(C)OC2(C[NH2+]CC3=CC=C4CCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644678	0	54	0.0	-75.34	385.65	10.67	-64.67
CC1=CC=CC=C1CC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644679	0	56	0.0	-70.48	390.92	10.55	-59.93
CC1=CC=CC(CC(C)[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644680	0	56	0.0	-69.93	396.35	10.77	-59.16
COC1=CC2=C(C=C1C[NH2+]CC13CCC(C(=O)[O-])(CC1)C(C)(C)O3)OCO2	REAL300018644681	0	54	0.0	-76.35	394.25	6.79	-69.56
COC1=CC(Cl)=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1OC	REAL300018644682	0	55	0.0	-77.29	410.82	8.46	-68.83
COC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)SC=C1	REAL300018644683	0	48	0.0	-68.14	360.25	7.17	-60.97
CC(C)COC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644684	0	60	0.0	-75.54	433.10	10.49	-65.05
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)CCC1(C(=O)[O-])CC2	REAL300018644685	0	53	0.0	-83.36	386.76	10.93	-72.43
CC1(C)OC2(C[NH2+]CCC3CCOCC3)CCC1(C(=O)[O-])CC2	REAL300018644686	0	54	0.0	-76.02	373.43	7.27	-68.75
CC1(C)OC2(C[NH2+]CC3CCSCC3)CCC1(C(=O)[O-])CC2	REAL300018644687	0	51	0.0	-77.96	360.59	8.78	-69.18
CC(C)COC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644688	0	60	0.0	-69.24	431.75	10.56	-58.68
CC1(C)OC2(C[NH2+]CC3CCCCCC3)CCC1(C(=O)[O-])CC2	REAL300018644689	0	56	0.0	-73.37	372.33	9.55	-63.82
CC1(C)CC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=C2O1	REAL300018644690	0	58	0.0	-69.40	417.41	9.99	-59.41
CC1(C)OC2(C[NH2+]CC3=C(Cl)C=NC=C3Cl)CCC1(C(=O)[O-])CC2	REAL300018644691	0	46	0.0	-70.64	363.61	7.82	-62.82
CC1(C)OC2(C[NH2+]CC3=NC4=C(CCCC4)S3)CCC1(C(=O)[O-])CC2	REAL300018644692	0	53	0.0	-73.17	388.75	8.51	-64.66
CC1(C)OC2(C[NH2+]CC3=CC=NC=C3Br)CCC1(C(=O)[O-])CC2	REAL300018644693	0	46	0.0	-76.90	350.99	7.57	-69.33
CC1(C)OC2(C[NH2+]CC3=CC=NC=C3Cl)CCC1(C(=O)[O-])CC2	REAL300018644694	0	46	0.0	-77.54	347.38	7.47	-70.07
CC(C)(C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)N1CCOCC1	REAL300018644695	0	59	0.0	-72.05	393.24	5.74	-66.31
CCC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCC1	REAL300018644696	0	56	0.0	-67.63	372.00	9.38	-58.25
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NN1C	REAL300018644697	0	50	0.0	-74.09	362.60	6.94	-67.15
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644698	0	53	0.0	-73.61	395.03	10.50	-63.11
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C2=CC=CC=C2)=N1	REAL300018644699	0	57	0.0	-77.82	419.53	9.93	-67.89
CCC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300018644700	0	51	0.0	-83.44	373.09	7.35	-76.09
CC1(C)OC2(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644701	0	54	0.0	-78.15	398.60	9.98	-68.17
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NO1	REAL300018644702	0	46	0.0	-76.12	337.15	6.91	-69.21
CCN1C=NC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644703	0	50	0.0	-79.39	362.27	8.84	-70.55
CC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N1C	REAL300018644704	0	50	0.0	-80.24	359.90	7.69	-72.55
CC1(C)OC2(C[NH2+]CC3=CC4=CC=NC=C4C=C3)CCC1(C(=O)[O-])CC2	REAL300018644705	0	52	0.0	-83.77	381.14	9.25	-74.52
CC1(C)OC2(C[NH2+]CC3=CC=CC4=NNC=C43)CCC1(C(=O)[O-])CC2	REAL300018644706	0	50	0.0	-87.14	366.35	7.46	-79.68
CC1(C)OC2(C[NH2+]CC3=CC=CC4=CNN=C43)CCC1(C(=O)[O-])CC2	REAL300018644707	0	50	0.0	-70.47	366.41	7.45	-63.02
CC1(C)OC2(C[NH2+]CC3=CN=C4CCCN34)CCC1(C(=O)[O-])CC2	REAL300018644708	0	51	0.0	-79.45	366.24	8.35	-71.10
CC1(C)OC2(C[NH2+]C3CCN(S(C)(=O)=O)CC3)CCC1(C(=O)[O-])CC2	REAL300018644709	0	55	0.0	-85.73	393.88	4.58	-81.15
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C=N3)CCC1(C(=O)[O-])CC2	REAL300018644710	0	46	0.0	-79.14	341.61	7.02	-72.12
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)SC=N1	REAL300018644711	0	46	0.0	-77.51	344.03	6.52	-70.99
COC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644712	0	51	0.0	-80.43	376.05	8.13	-72.30
CC(CC1=CN=CC=N1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644713	0	51	0.0	-72.30	365.96	6.38	-65.92
CC(C)(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300018644714	0	57	0.0	-82.33	411.63	8.68	-73.65
CC1=NOC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644715	0	46	0.0	-83.07	337.15	6.94	-76.13
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=CO1	REAL300018644716	0	47	0.0	-75.04	340.06	7.57	-67.47
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(Cl)=C1	REAL300018644717	0	50	0.0	-69.94	374.26	9.87	-60.07
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644718	0	55	0.0	-76.24	407.60	7.71	-68.53
CC1(C)OC2(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)CCC1(C(=O)[O-])CC2	REAL300018644719	0	49	0.0	-96.17	380.81	9.81	-86.36
CC1(C)OC2(C[NH2+]CCC3=CC=CC(Cl)=C3)CCC1(C(=O)[O-])CC2	REAL300018644720	0	50	0.0	-78.28	378.38	10.05	-68.23
CC1(C)OC2(C[NH2+]C3CCCC3C3=CC=CC=C3)CCC1(C(=O)[O-])CC2	REAL300018644721	0	57	0.0	-67.29	392.78	11.44	-55.85
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)CCC1(C(=O)[O-])CC2	REAL300018644722	0	52	0.0	-70.77	396.76	9.80	-60.97
CC1(C)OC2(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)CCC1(C(=O)[O-])CC2	REAL300018644723	0	52	0.0	-65.10	393.99	9.72	-55.38
CC1(C)OC2(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)CCC1(C(=O)[O-])CC2	REAL300018644724	0	52	0.0	-73.74	385.67	9.36	-64.38
CC1(C)OC2(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)CCC1(C(=O)[O-])CC2	REAL300018644725	0	52	0.0	-71.94	386.45	9.37	-62.57
CC1(C)OC2(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)CCC1(C(=O)[O-])CC2	REAL300018644726	0	52	0.0	-72.99	394.53	9.73	-63.26
CS(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644727	0	52	0.0	-87.76	392.35	7.36	-80.40
CC1(C)OC2(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)CCC1(C(=O)[O-])CC2	REAL300018644728	0	49	0.0	-85.51	381.06	9.88	-75.63
CC(C)CCN1C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644729	0	60	0.0	-75.68	427.16	11.14	-64.54
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)O2)C=C1	REAL300018644730	0	60	0.0	-78.03	443.27	12.09	-65.94
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(OC(F)F)=C1	REAL300018644731	0	55	0.0	-79.07	407.50	7.70	-71.37
CCC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CCO1	REAL300018644732	0	54	0.0	-71.48	365.95	7.53	-63.95
CC(C)C1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CCO1	REAL300018644733	0	57	0.0	-73.32	382.94	8.06	-65.26
CCN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C2=CC=CC=C2)=N1	REAL300018644734	0	60	0.0	-77.60	441.05	10.80	-66.80
CC1(C)OC2(C[NH2+]CC3=CC=C4CCCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644735	0	57	0.0	-74.80	402.84	11.26	-63.54
CC1(C)OC2(C[NH2+]C3CCC(C4CCCCC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644736	0	66	0.0	-70.35	436.64	11.76	-58.59
CC(C)CC(C)CC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644737	0	61	0.0	-69.82	411.26	10.10	-59.72
CC1=CC=C(C(C)C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644738	0	56	0.0	-74.43	397.56	10.74	-63.69
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1C(C)(C)C	REAL300018644739	0	63	0.0	-77.16	440.81	10.75	-66.41
COCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300018644740	0	51	0.0	-77.75	376.46	6.79	-70.96
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644741	0	60	0.0	-75.09	421.32	9.95	-65.14
CC(C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCCC1	REAL300018644742	0	59	0.0	-71.97	395.86	10.17	-61.80
CC1(C)OC2(C[NH2+]CC3=CC=C(S(N)(=O)=O)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644743	0	52	0.0	-89.96	394.32	3.73	-86.23
CCC(CC)(CC)C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644744	0	58	0.0	-69.51	378.54	9.22	-60.29
CC1=CN=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300018644745	1	46	0.0	-76.20	337.55	4.32	-71.88
CC1(C)OC2(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)CCC1(C(=O)[O-])CC2	REAL300018644746	0	54	0.0	-73.20	391.54	10.75	-62.45
CC1=CNC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644747	0	47	0.0	-79.03	341.48	6.10	-72.93
CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C)=C1	REAL300018644748	0	57	0.0	-76.83	406.31	9.61	-67.22
COC1=CC(C)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644749	0	54	0.0	-69.50	389.69	8.79	-60.71
CC1(C)OC2(C[NH2+]CC3CCC4=CC=CC=C4C3)CCC1(C(=O)[O-])CC2	REAL300018644750	0	57	0.0	-78.51	399.67	11.22	-67.29
CC1(C)OC2(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3N)CCC1(C(=O)[O-])CC2	REAL300018644751	0	49	0.0	-80.03	381.80	7.86	-72.17
CC1(C)OC2(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644752	0	57	0.0	-78.18	404.85	11.15	-67.03
CC1=NC(C)=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)O1	REAL300018644753	0	49	0.0	-79.65	358.27	4.91	-74.74
COCC1=CSC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644754	0	51	0.0	-75.34	385.77	7.62	-67.72
CCCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644755	0	53	0.0	-73.64	395.23	10.23	-63.41
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N=C1	REAL300018644756	0	49	0.0	-74.10	356.64	7.59	-66.51
CC1(C)OC2(C[NH2+]CC3=CC=NS3)CCC1(C(=O)[O-])CC2	REAL300018644757	0	43	0.0	-80.95	325.03	6.59	-74.36
CC(C)N1C=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644758	0	53	0.0	-77.60	380.99	8.58	-69.02
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=CC=C1[N+](=O)[O-]	REAL300018644759	0	52	0.0	-88.73	377.89	9.91	-78.82
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1Br	REAL300018644760	0	50	0.0	-79.85	379.63	9.95	-69.90
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1Cl	REAL300018644761	0	51	0.0	-83.33	385.67	8.61	-74.72
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644762	0	47	0.0	-74.97	352.00	8.51	-66.46
COC1=CC=CC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644763	0	54	0.0	-69.09	385.32	8.64	-60.45
CC1(C)OC2(C[NH2+]CC3=C4OC=CC4=CC=C3)CCC1(C(=O)[O-])CC2	REAL300018644764	0	50	0.0	-73.85	367.48	9.09	-64.76
CC1(C)OC2(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644765	0	54	0.0	-77.25	399.12	9.89	-67.36
CC1(C)OC2(C[NH2+]CC3=CN=C(C(F)(F)F)S3)CCC1(C(=O)[O-])CC2	REAL300018644766	0	46	0.0	-85.93	366.21	7.18	-78.75
CC1CSCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644767	0	48	0.0	-72.30	339.86	7.90	-64.40
CCC1=NN(C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644768	0	53	0.0	-79.09	384.09	7.91	-71.18
CC1(C)OC2(C[NH2+]CC3=NN4CCCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644769	0	54	0.0	-73.75	384.74	8.10	-65.65
CCC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644770	0	53	0.0	-74.76	383.13	10.22	-64.54
COC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644771	0	47	0.0	-79.78	357.65	4.37	-75.41
CC1(C)OC2(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)CCC1(C(=O)[O-])CC2	REAL300018644772	0	51	0.0	-79.70	378.59	10.34	-69.36
CC1=NC=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644773	0	48	0.0	-76.55	347.20	5.57	-70.98
CC1(C)OC2(C[NH2+]C3CCC4(CC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644774	0	54	0.0	-71.42	370.54	9.44	-61.98
CC1(C)OC2(C[NH2+]CC3=CC4=C(C=N3)OCCO4)CCC1(C(=O)[O-])CC2	REAL300018644775	0	52	0.0	-77.60	379.67	6.12	-71.48
CC1(C)OC2(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)CCC1(C(=O)[O-])CC2	REAL300018644776	0	50	0.0	-82.27	383.81	9.73	-72.54
CC1(C)OC2(C[NH2+]C3C[C@@H]4CC[C@@H](C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644777	0	54	0.0	-64.44	341.12	9.76	-54.68
CC1=CC=CN2C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CN=C12	REAL300018644778	0	53	0.0	-82.63	388.53	9.82	-72.81
CCN1N=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644779	0	49	0.0	-84.38	358.20	7.89	-76.49
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CN=C1Cl	REAL300018644780	0	47	0.0	-84.34	356.47	7.65	-76.69
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CN=C1Br	REAL300018644781	0	47	0.0	-84.28	360.76	7.65	-76.63
CC1(C)OC2(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)CCC1(C(=O)[O-])CC2	REAL300018644782	0	53	0.0	-85.44	399.55	8.66	-76.78
CC1(C)OC2(C[NH2+]CC3=CC(C(F)(F)F)=NN3)CCC1(C(=O)[O-])CC2	REAL300018644783	0	47	0.0	-88.47	361.31	6.13	-82.34
CC1=CN=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N1C	REAL300018644784	0	50	0.0	-78.66	360.54	7.61	-71.05
CC1(C)OC2(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)CCC1(C(=O)[O-])CC2	REAL300018644785	0	51	0.0	-83.66	378.62	8.78	-74.88
CC1(C)OC2(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)CCC1(C(=O)[O-])CC2	REAL300018644786	0	51	0.0	-84.24	378.43	8.78	-75.46
CCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644787	0	53	0.0	-77.49	389.25	6.36	-71.13
CC1=C(Cl)C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644788	0	50	0.0	-77.17	369.13	9.84	-67.33
CC1(C)OC2(C[NH2+]CC3=CC4=CC=NC=C4S3)CCC1(C(=O)[O-])CC2	REAL300018644789	0	49	0.0	-82.61	372.26	8.52	-74.09
CC1=CC=CC2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)N21	REAL300018644790	0	53	0.0	-81.65	378.02	9.63	-72.02
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644791	0	59	0.0	-77.96	424.06	9.45	-68.51
CCC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CC1(C)C	REAL300018644792	0	56	0.0	-68.85	370.72	9.26	-59.59
C=CCCCCCC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644793	0	59	0.0	-69.57	414.50	10.77	-58.80
C=CCCCCC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644794	0	56	0.0	-69.84	393.00	9.99	-59.85
CC1=CC(Cl)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644795	0	50	0.0	-78.00	378.28	9.93	-68.07
COCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644796	0	54	0.0	-77.33	395.20	8.50	-68.83
COCC(CC(C)(C)C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644797	0	59	0.0	-64.85	399.09	8.27	-56.58
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)CCC1(C(=O)[O-])CC2	REAL300018644798	0	52	0.0	-88.80	387.66	9.23	-79.57
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC2=CC=CN=C12	REAL300018644799	0	55	0.0	-83.36	401.37	9.96	-73.40
CC(C)C1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644800	0	59	0.0	-70.14	388.61	10.08	-60.06
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)SN=N1	REAL300018644801	0	45	0.0	-86.20	339.29	5.92	-80.28
CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1C	REAL300018644802	0	60	0.0	-77.56	433.07	10.54	-67.02
COC1=C(C)C=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1C	REAL300018644803	0	56	0.0	-73.78	402.70	7.57	-66.21
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644804	0	57	0.0	-73.53	413.98	10.41	-63.12
CC1(C)OC2(C[NH2+]C3CCCCC34CCCC4)CCC1(C(=O)[O-])CC2	REAL300018644805	0	60	0.0	-67.17	389.77	10.42	-56.75
CCC1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644806	0	56	0.0	-70.68	378.10	9.40	-61.28
CC1(C)OC2(C[NH2+]CC3=CC=C(S(C)(=O)=O)S3)CCC1(C(=O)[O-])CC2	REAL300018644807	0	50	0.0	-88.07	393.23	5.46	-82.61
CC1(C)OC2(C[NH2+]CC3=CC=CC(F)=C3N)CCC1(C(=O)[O-])CC2	REAL300018644808	0	49	0.0	-78.17	356.12	6.90	-71.27
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)F)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644809	0	50	0.0	-80.24	372.32	9.63	-70.61
CC1(C)OC2(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)CCC1(C(=O)[O-])CC2	REAL300018644810	0	49	0.0	-85.22	379.65	6.74	-78.48
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3CCC4)CCC1(C(=O)[O-])CC2	REAL300018644811	0	54	0.0	-74.85	384.44	10.59	-64.26
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C([N+](=O)[O-])=N1	REAL300018644812	0	49	0.0	-85.42	368.33	8.15	-77.27
CC1(C)OC2(C[NH2+]CC3=NC(Cl)=CS3)CCC1(C(=O)[O-])CC2	REAL300018644813	0	43	0.0	-77.60	341.90	6.33	-71.27
COC1=NSC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644814	0	47	0.0	-82.72	357.45	4.69	-78.03
CC1(C)OC2(C[NH2+]CC3=NC=CC4=CC=CC=C43)CCC1(C(=O)[O-])CC2	REAL300018644815	0	52	0.0	-75.18	377.97	9.05	-66.13
COC1=CC=CC(Cl)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644816	0	51	0.0	-65.45	382.45	8.56	-56.89
CC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N1C1=CC=CC=C1	REAL300018644817	0	57	0.0	-74.93	419.27	11.07	-63.86
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=NN1C	REAL300018644818	0	50	0.0	-78.26	359.82	7.03	-71.23
CCCN1N=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1C	REAL300018644819	0	59	0.0	-77.94	425.34	9.16	-68.78
CCN(CC)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1F	REAL300018644820	0	61	0.0	-81.51	439.41	9.83	-71.68
CCOC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C12CCCC2	REAL300018644821	0	61	0.0	-68.97	420.69	9.85	-59.12
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644822	0	58	0.0	-75.74	415.96	11.30	-64.44
CCC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCC1	REAL300018644823	0	53	0.0	-67.83	356.33	8.88	-58.95
CC1(C)OC2(C[NH2+]C3CC4CCC(C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644824	0	54	0.0	-70.39	356.50	8.93	-61.46
CC1(C)OC2(C[NH2+]C3CCCC34CCCC4)CCC1(C(=O)[O-])CC2	REAL300018644825	0	57	0.0	-68.28	377.68	10.22	-58.06
CCCC(C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1=CC=CC=C1	REAL300018644826	0	59	0.0	-73.77	418.41	11.42	-62.35
CC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC(C2=CC=CC=C2)C1	REAL300018644827	0	63	0.0	-73.45	430.07	11.98	-61.47
CC1(C)OC2(C[NH2+]CC3=CN=C(C4CC4)O3)CCC1(C(=O)[O-])CC2	REAL300018644828	0	50	0.0	-79.31	368.96	6.07	-73.24
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644829	0	57	0.0	-72.06	414.59	9.77	-62.29
CC(C)(C)C1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644830	0	56	0.0	-70.37	379.83	9.29	-61.08
CC1(C)OC2(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)CCC1(C(=O)[O-])CC2	REAL300018644831	0	49	0.0	-78.18	378.31	8.29	-69.89
CC1(C)OC2(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)CCC1(C(=O)[O-])CC2	REAL300018644832	0	51	0.0	-78.52	384.53	8.50	-70.02
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC2=CC=CC=C21	REAL300018644833	0	57	0.0	-80.88	414.61	10.37	-70.51
CCOC1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644834	0	53	0.0	-80.29	386.53	7.19	-73.10
CCOC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644835	0	54	0.0	-80.09	397.91	9.06	-71.03
COC1=CC=C(C(C)C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644836	0	57	0.0	-77.56	405.63	9.37	-68.19
CN1N=C(C2CC2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644837	0	54	0.0	-83.05	392.57	8.44	-74.61
CC1(C)OC2(C[NH2+]C3CCC4(CCCCC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644839	0	63	0.0	-71.91	407.60	10.63	-61.28
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C(C)C1=CC=CC=C1	REAL300018644840	0	56	0.0	-68.20	390.74	10.36	-57.84
CC1(C)OC2(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)CCC1(C(=O)[O-])CC2	REAL300018644841	0	55	0.0	-81.12	393.56	9.86	-71.26
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644842	0	62	0.0	-70.67	432.39	8.73	-61.94
COC1=CC=CC2=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C=CC=C12	REAL300018644843	0	57	0.0	-79.73	409.57	10.25	-69.48
CC1(C)OC2(C[NH2+]CC3=CC=NN3CC3CC3)CCC1(C(=O)[O-])CC2	REAL300018644844	0	54	0.0	-79.84	389.63	8.82	-71.02
CC(CCC1=CC=CN=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644845	0	55	0.0	-76.55	391.93	9.11	-67.44
CC(C)C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644846	0	56	0.0	-74.72	400.47	10.71	-64.01
CN1N=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644847	0	46	0.0	-84.74	336.38	7.03	-77.71
CC1(C)OC2(C[NH2+]CC3=CC=C(S(N)(=O)=O)O3)CCC1(C(=O)[O-])CC2	REAL300018644848	0	49	0.0	-89.02	377.66	1.90	-87.12
CC1(C)OC2(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644849	0	58	0.0	-77.28	418.73	11.79	-65.49
CC1(C)OC2(C[NH2+]C3CCC4(CCOCC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644850	0	61	0.0	-75.20	399.12	8.28	-66.92
COC1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1C	REAL300018644851	0	53	0.0	-79.81	378.68	6.93	-72.88
CC1(C)OC2(C[NH2+]CC3=CC=CC(Cl)=C3N)CCC1(C(=O)[O-])CC2	REAL300018644852	0	49	0.0	-76.90	365.18	7.39	-69.51
CCC1=CNC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644853	0	50	0.0	-78.81	363.02	6.83	-71.98
CC1(C)OC2(C[NH2+]CCC3=CC=C(F)C=C3Cl)CCC1(C(=O)[O-])CC2	REAL300018644854	0	50	0.0	-78.54	381.80	10.01	-68.53
CC1(C)OC2(C[NH2+]CC3=CC4=CN=CC=C4O3)CCC1(C(=O)[O-])CC2	REAL300018644855	0	49	0.0	-83.45	362.84	7.56	-75.89
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)(F)F)S3)CCC1(C(=O)[O-])CC2	REAL300018644856	0	47	0.0	-81.93	371.11	9.09	-72.84
CC1=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)NC2=CC=C1	REAL300018644857	0	54	0.0	-80.87	393.06	9.35	-71.52
CCOC1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644858	0	57	0.0	-69.40	391.37	8.28	-61.12
CC1(C)OC2(C[NH2+]CC3=CSC(C(F)(F)F)=C3)CCC1(C(=O)[O-])CC2	REAL300018644859	0	47	0.0	-82.61	370.75	8.91	-73.70
CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C)=C1	REAL300018644860	0	60	0.0	-76.62	427.76	10.42	-66.20
CC1=C(C)NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644861	0	50	0.0	-78.43	361.32	6.62	-71.81
CC1=CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644862	0	51	0.0	-70.88	352.20	8.73	-62.15
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1OC1CC1	REAL300018644863	0	59	0.0	-83.59	430.18	9.64	-73.95
CC1(C)OC2(C[NH2+]C3CCC4(CCCC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644864	0	60	0.0	-71.09	397.04	10.31	-60.78
CC1(C)OC2(C[NH2+]CC3=CC=C(C(F)F)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644865	0	49	0.0	-85.70	368.14	7.88	-77.82
CC1(C)OC2(C[NH2+]C3CCC4=CC=CC=C4CC3)CCC1(C(=O)[O-])CC2	REAL300018644866	0	57	0.0	-75.43	391.32	10.72	-64.71
CC1(C)OC2(C[NH2+]CC3=NC=C(Br)S3)CCC1(C(=O)[O-])CC2	REAL300018644867	0	43	0.0	-76.78	346.62	6.64	-70.14
CCC1(C)CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644868	0	59	0.0	-70.57	387.23	9.52	-61.05
CC1(C)OC2(C[NH2+]C3CCCC4=CC=CC=C4C3)CCC1(C(=O)[O-])CC2	REAL300018644869	0	57	0.0	-73.09	391.39	10.73	-62.36
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C(F)F)=N1	REAL300018644870	0	50	0.0	-76.89	370.36	7.44	-69.45
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCCCC1	REAL300018644871	0	59	0.0	-70.62	383.35	9.87	-60.75
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018644872	0	59	0.0	-72.39	425.57	11.12	-61.27
CCC1(CC)CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644873	0	62	0.0	-71.04	401.70	10.00	-61.04
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3CCOC4)CCC1(C(=O)[O-])CC2	REAL300018644874	0	55	0.0	-77.61	387.05	8.73	-68.88
CC1(C)OC2(C[NH2+]CC3CC3C3=CC=C(F)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644875	0	54	0.0	-79.69	395.73	10.95	-68.74
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644876	0	56	0.0	-71.86	401.48	10.45	-61.41
CC1(C)OC2(C[NH2+]CC3=CC=CC(S(N)(=O)=O)=C3)CCC1(C(=O)[O-])CC2	REAL300018644877	0	52	0.0	-87.06	394.42	3.74	-83.32
CCCN1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644878	0	53	0.0	-80.56	379.35	8.06	-72.50
CC1=CC=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)NC2=C1	REAL300018644879	0	54	0.0	-80.52	393.39	9.37	-71.15
CC1(C)OC2(C[NH2+]CC3=C4CCCN4N=C3)CCC1(C(=O)[O-])CC2	REAL300018644880	0	51	0.0	-79.04	366.71	7.37	-71.67
CC1(C)OC2(C[NH2+]CC3=NN4CCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644881	0	51	0.0	-74.81	366.78	7.28	-67.53
CC1(C)OC2(C[NH2+]CC3=NC=C(C(F)(F)F)S3)CCC1(C(=O)[O-])CC2	REAL300018644882	0	46	0.0	-79.96	365.49	7.09	-72.87
CC1(C)OC2(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)CCC1(C(=O)[O-])CC2	REAL300018644883	0	51	0.0	-76.88	384.57	8.51	-68.37
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644884	0	55	0.0	-87.53	399.35	10.42	-77.11
CC1(C)OC2(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644885	0	63	0.0	-74.57	428.17	12.10	-62.47
CC(C)C1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C1	REAL300018644886	0	56	0.0	-70.50	380.57	9.41	-61.09
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CN=C4O3)CCC1(C(=O)[O-])CC2	REAL300018644887	0	49	0.0	-84.41	362.88	6.24	-78.17
CC1(C)OC2(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644888	0	57	0.0	-69.75	407.27	11.88	-57.87
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1N1C=NC=N1	REAL300018644889	0	56	0.0	-86.84	414.54	12.31	-74.53
CC1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644890	0	56	0.0	-69.84	371.01	9.18	-60.66
CCC1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644891	0	59	0.0	-69.70	388.65	9.79	-59.91
CC1(C)OC2(C[NH2+]C3CCCC(C)(C)CC3)CCC1(C(=O)[O-])CC2	REAL300018644892	0	59	0.0	-69.61	379.43	9.33	-60.28
CC(C)(C)C1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CC1	REAL300018644893	0	65	0.0	-70.91	420.65	10.68	-60.23
CC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)CCN1C	REAL300018644894	1	55	0.0	-71.30	365.63	5.90	-65.40
CC1(C)OC2(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)CCC1(C(=O)[O-])CC2	REAL300018644895	0	50	0.0	-82.29	374.52	9.36	-72.93
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C1CCCO1	REAL300018644896	0	51	0.0	-67.91	349.05	6.60	-61.31
CC1(C)OC2(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644897	0	54	0.0	-82.62	404.51	9.31	-73.31
COCC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644898	0	54	0.0	-76.50	395.31	8.51	-67.99
CN(C)CC1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CS1	REAL300018644899	0	54	0.0	-74.15	402.69	5.45	-68.70
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C(OC(F)F)C=C1C	REAL300018644900	0	57	0.0	-75.11	416.37	9.61	-65.50
CC1=CC=C(CC[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1	REAL300018644901	0	53	0.0	-75.41	383.05	10.22	-65.19
CCCCC(C)C(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644902	0	58	0.0	-68.59	393.56	9.79	-58.80
COC1=CC(C)=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1OC	REAL300018644903	0	58	0.0	-81.34	414.26	8.50	-72.84
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3C3CC3)CCC1(C(=O)[O-])CC2	REAL300018644904	0	54	0.0	-73.60	383.25	10.77	-62.83
CC1(C)OC2(C[NH2+]CCC3=CC=C(F)C=C3F)CCC1(C(=O)[O-])CC2	REAL300018644905	0	50	0.0	-79.24	373.51	9.65	-69.59
CC1=CC(CC[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC(C)=C1	REAL300018644906	0	56	0.0	-75.42	404.46	10.86	-64.56
COC1=CC=C(N2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C=N2)C=C1	REAL300018644907	0	58	0.0	-83.51	428.46	9.28	-74.23
CC(CCC1=CSC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644908	0	53	0.0	-73.83	387.09	9.84	-63.99
CC1(C)OC2(C[NH2+]CC3=CNN=C3C3=CSC=C3)CCC1(C(=O)[O-])CC2	REAL300018644909	0	51	0.0	-79.57	387.01	7.63	-71.94
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)CCC1(C(=O)[O-])CC2	REAL300018644910	0	53	0.0	-84.52	396.43	7.03	-77.49
CC(CC1=CN(C)N=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644911	0	53	0.0	-71.33	378.11	7.77	-63.56
CN1N=CC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CN=C21	REAL300018644912	0	52	0.0	-88.28	384.45	7.90	-80.38
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644913	0	56	0.0	-75.97	408.97	10.98	-64.99
COCC(CC1CCOCC1)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644914	0	61	0.0	-73.75	418.54	6.96	-66.79
CN1C=C(CCC[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=N1	REAL300018644915	0	53	0.0	-79.17	385.83	8.07	-71.10
CC1(C)OC2(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)CCC1(C(=O)[O-])CC2	REAL300018644916	0	57	0.0	-66.93	406.39	11.87	-55.06
CC1CCC2=C(C1)SC(C[NH2+]CC13CCC(C(=O)[O-])(CC1)C(C)(C)O3)=N2	REAL300018644917	0	56	0.0	-72.95	409.55	9.12	-63.83
CCC1=CN=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)S1	REAL300018644918	0	49	0.0	-73.07	368.41	7.49	-65.58
CC1(C)OC2(C[NH2+]CC3=CC=C(F)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644919	0	46	0.0	-87.03	341.40	6.92	-80.11
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3N3CCCCC3)CCC1(C(=O)[O-])CC2	REAL300018644920	0	62	0.0	-69.25	434.03	10.81	-58.44
CC1(C)OC2(C[NH2+]C3CCC4COCCC4C3)CCC1(C(=O)[O-])CC2	REAL300018644921	0	58	0.0	-74.38	385.33	8.30	-66.08
CC1(C)CC2(CC([NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C2)CO1	REAL300018644922	0	58	0.0	-75.20	404.20	8.33	-66.87
CC1CC2(CC([NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C2)CO1	REAL300018644923	0	55	0.0	-74.89	383.81	7.65	-67.24
CC1(C)OC2(C[NH2+]C3CCOC4=CC=CC=C4C3)CCC1(C(=O)[O-])CC2	REAL300018644924	0	55	0.0	-74.95	384.77	9.00	-65.95
CC1(C)OC2(C[NH2+]C3CCCC4=C(C=CS4)C3)CCC1(C(=O)[O-])CC2	REAL300018644925	0	54	0.0	-73.73	383.96	9.94	-63.79
CN1C=NC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=C21	REAL300018644926	0	53	0.0	-83.34	378.54	10.02	-73.32
COC1=CC=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644927	0	54	0.0	-75.18	384.52	8.71	-66.47
CC1(C)OC2(C[NH2+]CC3=NOC(C4CCC4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644928	0	53	0.0	-76.26	385.38	9.01	-67.25
CC1(C2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=NO2)CC1	REAL300018644929	0	53	0.0	-76.37	387.81	8.92	-67.45
CCC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644930	0	53	0.0	-73.13	373.57	10.05	-63.08
CC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644931	0	50	0.0	-79.18	367.96	9.50	-69.68
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C)=C1C	REAL300018644932	0	56	0.0	-73.60	389.69	10.50	-63.10
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644933	0	59	0.0	-67.50	391.06	11.07	-56.43
CC1(C)OC2(C[NH2+]CC3=CN=C4CCCCCN34)CCC1(C(=O)[O-])CC2	REAL300018644934	0	57	0.0	-79.92	396.31	9.16	-70.76
COC1=CC=C2SC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CC2=C1	REAL300018644935	0	54	0.0	-79.06	407.07	9.60	-69.46
CC1(C)OC2(C[NH2+]CC3=CON=C3C3CC3)CCC1(C(=O)[O-])CC2	REAL300018644936	0	50	0.0	-82.77	368.36	8.37	-74.40
CC1(C)OC2(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)CCC1(C(=O)[O-])CC2	REAL300018644937	0	53	0.0	-86.66	395.19	9.93	-76.73
CCN1CCC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)=CC=C21	REAL300018644938	0	59	0.0	-77.08	419.44	9.39	-67.69
CC1(C)CC2(CO1)CCC([NH2+]CC13CCC(C(=O)[O-])(CC1)C(C)(C)O3)CC2	REAL300018644939	0	64	0.0	-75.91	425.00	9.05	-66.86
CSC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1Cl	REAL300018644940	0	51	0.0	-82.38	395.36	10.23	-72.15
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1C1CC1	REAL300018644941	0	57	0.0	-75.15	406.57	11.39	-63.76
COC1=CC=CC2=C1CCCC([NH2+]CC13CCC(C(=O)[O-])(CC1)C(C)(C)O3)C2	REAL300018644942	0	61	0.0	-75.50	419.47	10.16	-65.34
CCOC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=N1	REAL300018644943	0	53	0.0	-81.50	389.08	6.40	-75.10
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1C1CC1	REAL300018644944	0	57	0.0	-75.13	406.68	11.41	-63.72
CC1=NN(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C(C)=C2)C=C1	REAL300018644945	0	60	0.0	-83.67	435.25	11.17	-72.50
CC(C)CC1CCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644946	0	59	0.0	-69.50	400.94	10.16	-59.34
CC1(C)OC2(C[NH2+]C3CC(C4CCC4)C3)CCC1(C(=O)[O-])CC2	REAL300018644947	0	54	0.0	-70.77	376.75	9.77	-61.00
CC1(C)OC2(C[NH2+]CC3=CN=C(C4CCOCC4)O3)CCC1(C(=O)[O-])CC2	REAL300018644948	0	57	0.0	-81.12	412.51	5.23	-75.89
CC1(C)OC2(C[NH2+]CC3=NOC(C4CC4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644949	0	50	0.0	-76.48	368.81	8.49	-67.99
CC1OC2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C=C2C1C	REAL300018644950	0	58	0.0	-79.61	413.53	9.87	-69.74
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1OC(F)F	REAL300018644951	0	54	0.0	-75.46	399.47	9.09	-66.37
CC(C)C1=CC=C(O)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644952	0	57	0.0	-74.94	408.13	8.09	-66.85
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)NN=C1C(F)(F)F	REAL300018644953	0	50	0.0	-88.28	375.70	6.63	-81.65
CC1(C)OC2(C[NH2+]C3CCC4(CCC4)CC3)CCC1(C(=O)[O-])CC2	REAL300018644954	0	57	0.0	-70.69	382.95	9.79	-60.90
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=C1O	REAL300018644955	0	51	0.0	-77.47	371.23	6.67	-70.80
CC1(C)OC2(C[NH2+]CC3=NC(C4CC4)=CS3)CCC1(C(=O)[O-])CC2	REAL300018644956	0	50	0.0	-74.08	375.88	7.97	-66.11
CC1(C)OC2(C[NH2+]CC3=CN(CC4CC4)N=N3)CCC1(C(=O)[O-])CC2	REAL300018644957	0	53	0.0	-81.89	389.77	7.66	-74.23
CC1(C)OC2(C[NH2+]CC3=CC=C4CCOC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644958	0	52	0.0	-77.77	375.88	8.56	-69.21
CC1(C)OC2(C[NH2+]CC3=NC4=C(CCCC4)N3)CCC1(C(=O)[O-])CC2	REAL300018644959	0	54	0.0	-78.48	383.18	7.83	-70.65
CC1(C)OC2(C[NH2+]CC3=CC=C4COCCC4=C3)CCC1(C(=O)[O-])CC2	REAL300018644960	0	55	0.0	-77.77	393.96	8.87	-68.90
CC1=CC=CC(F)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644961	0	50	0.0	-70.92	362.46	9.30	-61.62
CC1(C)OC2(C[NH2+]CC3=CC=CC=C3C3CCC3)CCC1(C(=O)[O-])CC2	REAL300018644962	0	57	0.0	-73.95	399.60	11.23	-62.72
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C2CCOCC2)=N1	REAL300018644963	0	61	0.0	-83.13	437.93	7.91	-75.22
CC1(C)OC2(C[NH2+]CC3=CN=CC(C4=CC=CN=C4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644964	0	55	0.0	-84.49	404.43	8.61	-75.88
CC1(C)OC2(C[NH2+]C3CC(COCC4=CC=CC=C4)C3)CCC1(C(=O)[O-])CC2	REAL300018644965	0	61	0.0	-73.51	443.23	10.75	-62.76
CSC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644966	0	51	0.0	-76.05	380.46	9.80	-66.25
CC(C)(C)N1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644967	0	56	0.0	-78.97	387.81	8.35	-70.62
CC1(C)OC2(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)CCC1(C(=O)[O-])CC2	REAL300018644968	0	54	0.0	-78.36	394.16	10.82	-67.54
CC1(C)C2CC([NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)CC21	REAL300018644969	0	54	0.0	-70.45	365.40	9.29	-61.16
CC(C)C1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)N(C)N=C1	REAL300018644970	0	56	0.0	-82.10	402.30	8.25	-73.85
CCC([NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2)C(C)CC1=CC=CC=C1	REAL300018644971	0	62	0.0	-72.65	420.86	11.53	-61.12
CCN1C=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644972	0	50	0.0	-73.88	364.63	7.34	-66.54
CC1(C)OC2(C[NH2+]CC3=CC=C(CC4CC4)S3)CCC1(C(=O)[O-])CC2	REAL300018644973	0	54	0.0	-73.67	405.45	11.04	-62.63
CC1(C)OC2(C[NH2+]CC3=CC=C(OC4CC4)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644974	0	55	0.0	-78.92	400.72	9.72	-69.20
CC1=NC=CN1C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C)=C1	REAL300018644975	0	60	0.0	-85.24	434.67	11.85	-73.39
CC1=C(C)N(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)C(C)(C)O4)C=C2)C=N1	REAL300018644976	0	60	0.0	-87.11	437.88	12.37	-74.74
CC1(C)OC2(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)CCC1(C(=O)[O-])CC2	REAL300018644977	0	61	0.0	-75.75	435.20	12.81	-62.94
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)OC2=CC=C(F)C=C12	REAL300018644979	0	53	0.0	-81.50	394.94	9.99	-71.51
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644980	0	53	0.0	-73.32	398.26	10.63	-62.69
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644981	0	57	0.0	-85.81	420.21	9.88	-75.93
CCCN1C=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644982	0	53	0.0	-73.77	386.13	8.10	-65.67
CC(C)N1C=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644983	0	53	0.0	-73.43	383.31	7.86	-65.57
CC(C)(C)C1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=C1	REAL300018644984	0	58	0.0	-79.70	411.64	9.28	-70.42
CCC(CC)C(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644985	0	55	0.0	-68.45	365.78	8.73	-59.72
CC1(C)OC2(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)CCC1(C(=O)[O-])CC2	REAL300018644986	0	50	0.0	-78.31	382.51	7.84	-70.47
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=NC2=C1CCCC2	REAL300018644987	0	57	0.0	-78.75	403.81	9.45	-69.30
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C(C(F)(F)F)=N1	REAL300018644988	0	50	0.0	-77.30	376.91	7.55	-69.75
CC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=N1	REAL300018644989	0	49	0.0	-74.23	356.80	7.56	-66.67
CC1(C)OC2(C[NH2+]CC3=CC4=CC=CC=C4C=N3)CCC1(C(=O)[O-])CC2	REAL300018644990	0	52	0.0	-74.94	381.30	9.19	-65.75
COC1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)=CC=C1C	REAL300018644991	0	53	0.0	-77.40	387.44	6.16	-71.24
CC1(C)OC2(C[NH2+]CC3=CC=CC(C(F)F)=C3F)CCC1(C(=O)[O-])CC2	REAL300018644992	0	50	0.0	-76.54	376.08	9.66	-66.88
CC1(C)OC2(C[NH2+]CC3=CC=CC4=C3COCC4)CCC1(C(=O)[O-])CC2	REAL300018644993	0	55	0.0	-76.79	386.95	8.76	-68.03
CCOC1=CC=C(Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644994	0	54	0.0	-71.37	406.97	9.60	-61.77
CC1(C)OC2(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)CCC1(C(=O)[O-])CC2	REAL300018644995	0	54	0.0	-84.02	402.57	8.69	-75.33
CC1(C)OC2(C[NH2+]CC3=CC4=C(CCCC4)O3)CCC1(C(=O)[O-])CC2	REAL300018644996	0	54	0.0	-75.13	384.51	9.60	-65.53
CCC(C)N1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)C(C)(C)O2	REAL300018644997	0	56	0.0	-81.38	401.45	8.54	-72.84
CC1(C)OC2(C[NH2+]CC3=CN(C4CCCCC4)N=C3)CCC1(C(=O)[O-])CC2	REAL300018644998	0	60	0.0	-78.23	424.79	9.81	-68.42
CC1(C)OC2(C[NH2+]C3CC4CCCCC4C3)CCC1(C(=O)[O-])CC2	REAL300018644999	0	57	0.0	-71.18	383.73	9.97	-61.21
COC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)C(C)(C)O3)C=CC=C1C(C)(C)C	REAL300018645000	0	63	0.0	-71.79	433.22	10.48	-61.31
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1F	REAL300018645763	0	46	0.0	-41.16	334.91	10.52	-30.64
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])CC2CCC1CC2	REAL300018645765	0	45	0.0	-48.44	344.65	10.89	-37.55
CC1(C)CC([NH2+]CC2(C(=O)[O-])CC3CCC2CC3)CC(C)(C)C1	REAL300018645766	0	58	0.0	-35.89	377.97	11.09	-24.80
O=C([O-])C1(C[NH2+]C2CCC3=CC(Br)=CC=C3C2)CC2CCC1CC2	REAL300018645767	0	50	0.0	-43.87	371.53	11.89	-31.98
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645768	0	56	0.0	-40.32	397.04	11.98	-28.34
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C(Cl)=C1OC	REAL300018645769	0	51	0.0	-47.75	382.88	9.58	-38.17
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)CC2CCC1CC2	REAL300018645770	0	50	0.0	-43.43	375.54	12.42	-31.01
O=C([O-])C1(C[NH2+]CC2=CC3=CC=CC=C3S2)CC2CCC1CC2	REAL300018645771	0	46	0.0	-39.68	345.56	11.35	-28.33
CC(C)OC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645772	0	53	0.0	-41.61	377.44	10.65	-30.96
CCCCCCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645773	0	65	0.0	-42.49	467.02	13.95	-28.54
CC(C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2)CC1=CC=C(C(C)(C)C)C=C1	REAL300018645774	0	64	0.0	-39.88	441.13	14.17	-25.71
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=CC=C1F	REAL300018645775	0	46	0.0	-44.00	334.89	10.50	-33.50
O=C([O-])C1(C[NH2+]CC2=C3NC=CC3=CC=C2)CC2CCC1CC2	REAL300018645776	0	47	0.0	-41.92	339.54	9.80	-32.12
O=C([O-])C1(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)CC2CCC1CC2	REAL300018645777	0	42	0.0	-54.90	328.22	9.60	-45.30
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2N2CCOCC2)CC2CCC1CC2	REAL300018645778	0	56	0.0	-38.89	393.94	9.37	-29.52
CC(C)CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645779	0	55	0.0	-39.38	389.31	12.49	-26.89
CC1=CC=C(C2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3CC4)=C2)C=C1	REAL300018645780	0	56	0.0	-42.00	403.77	13.88	-28.12
CC1=CC(C)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645781	0	49	0.0	-39.64	350.99	11.12	-28.52
COC1=CC=C(Br)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645782	0	47	0.0	-35.11	353.07	9.67	-25.44
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1[N+](=O)[O-]	REAL300018645783	0	49	0.0	-50.23	363.71	10.54	-39.69
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)CC2CCC1CC2	REAL300018645784	0	43	0.0	-43.49	341.63	10.81	-32.68
CC1=CC=CC(C)=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645785	0	49	0.0	-38.57	341.35	10.87	-27.70
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645786	0	56	0.0	-42.34	404.24	13.89	-28.45
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC(F)F)=C2)CC2CCC1CC2	REAL300018645787	0	47	0.0	-45.44	347.43	9.38	-36.06
CCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1OCC	REAL300018645788	0	57	0.0	-44.90	410.63	10.84	-34.06
CC(C)C1CCC([NH2+]CC2(C(=O)[O-])CC3CCC2CC3)CC1	REAL300018645789	0	55	0.0	-36.77	362.97	10.90	-25.87
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)CC2CCC1CC2	REAL300018645790	0	46	0.0	-49.80	360.07	11.21	-38.59
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C=C2Br)CC2CCC1CC2	REAL300018645791	0	43	0.0	-36.39	330.00	10.45	-25.94
O=C([O-])C1(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)CC2CCC1CC2	REAL300018645792	0	46	0.0	-51.29	347.77	8.90	-42.39
O=C([O-])C1(C[NH2+]CC2=CC=NC3=CC=CC=C23)CC2CCC1CC2	REAL300018645793	0	48	0.0	-46.93	344.60	10.06	-36.87
O=C([O-])C1(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)CC2CCC1CC2	REAL300018645794	0	47	0.0	-45.23	354.17	9.60	-35.63
CS(=O)(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645795	0	49	0.0	-52.34	368.85	7.33	-45.01
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645796	0	57	0.0	-42.49	416.40	12.88	-29.61
CC(CCOCC1=CC=CC=C1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645797	0	56	0.0	-38.29	399.15	11.20	-27.09
O=C([O-])C1(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)CC2CCC1CC2	REAL300018645798	0	50	0.0	-40.45	368.68	12.08	-28.37
O=C([O-])C1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)CC2CCC1CC2	REAL300018645799	0	53	0.0	-43.01	399.09	13.75	-29.26
O=C([O-])C1(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)CC2CCC1CC2	REAL300018645800	0	53	0.0	-43.11	399.11	13.73	-29.38
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C2=CC=CC=C12	REAL300018645801	0	53	0.0	-44.05	377.49	11.29	-32.76
CCC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)S1	REAL300018645802	0	46	0.0	-37.33	341.76	10.48	-26.85
CN1C2=CC=CC=C2N=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645803	0	49	0.0	-51.31	354.59	10.14	-41.17
O=C([O-])C1(C[NH2+]CC2=CC=C3OCCC3=C2)CC2CCC1CC2	REAL300018645804	0	48	0.0	-43.63	344.06	9.64	-33.99
O=C([O-])C1(C[NH2+]CC2=CSC(Br)=C2)CC2CCC1CC2	REAL300018645805	0	40	0.0	-43.61	319.81	9.48	-34.13
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)CC2CCC1CC2	REAL300018645806	0	56	0.0	-42.69	412.97	11.38	-31.31
O=C([O-])C1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)CC2CCC1CC2	REAL300018645807	0	56	0.0	-40.48	412.93	11.37	-29.11
O=C([O-])C1(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)CC2CCC1CC2	REAL300018645808	0	54	0.0	-43.65	382.10	9.71	-33.94
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645809	0	51	0.0	-51.37	381.75	6.51	-44.86
O=C([O-])C1(C[NH2+]CC2=C3C=CNC3=CC=C2)CC2CCC1CC2	REAL300018645810	0	47	0.0	-40.74	339.35	9.82	-30.92
O=C([O-])C1(C[NH2+]CC2=CC=C3C=CNC3=C2)CC2CCC1CC2	REAL300018645811	0	47	0.0	-42.69	339.52	9.83	-32.86
CC(CC1=CC=CS1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645812	0	46	0.0	-33.32	333.60	10.23	-23.09
O=C([O-])C1(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)CC2CCC1CC2	REAL300018645813	0	46	0.0	-51.25	347.72	8.89	-42.36
CC1=CC(F)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645814	0	46	0.0	-42.84	329.40	10.49	-32.35
CC1(C)CCC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3CC4)=CC=C2O1	REAL300018645815	0	57	0.0	-43.41	398.79	11.62	-31.79
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645816	0	58	0.0	-36.95	385.43	12.64	-24.31
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CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645884	0	55	0.0	-40.88	403.86	12.92	-27.96
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CC(C1=CC=CC=C1)N1CCC([NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300018645887	0	58	0.0	-37.35	404.54	10.52	-26.83
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CC1=CC=C(C2=CC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3CC4)S2)C=C1	REAL300018645901	0	53	0.0	-39.63	397.40	13.26	-26.37
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COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=CC=C1SC	REAL300018645909	0	51	0.0	-45.94	377.10	10.15	-35.79
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CC(C)CCC1CCCC1[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645926	0	58	0.0	-39.35	393.95	11.92	-27.43
CCCCC1CCCC1[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645927	0	55	0.0	-39.25	376.38	11.41	-27.84
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C2OC(C)CC2=C1	REAL300018645928	0	55	0.0	-43.17	394.61	9.68	-33.49
CN1N=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C2=CC=CC=C21	REAL300018645929	0	49	0.0	-40.29	358.11	9.72	-30.57
O=C([O-])C1(C[NH2+]CC2=C3C=CC=CC3=NN2)CC2CCC1CC2	REAL300018645930	0	46	0.0	-48.45	335.07	8.42	-40.03
O=C([O-])C1(C[NH2+]CC2=NNC3=CC=CC=C32)CC2CCC1CC2	REAL300018645930	1	46	0.0	-40.05	335.25	8.43	-31.62
CN(C)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1F	REAL300018645931	0	51	0.0	-46.83	369.09	9.36	-37.47
O=C([O-])C1(C[NH2+]CC2=NC=CN2CC(F)(F)F)CC2CCC1CC2	REAL300018645932	0	46	0.0	-37.89	345.38	9.29	-28.60
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645934	0	58	0.0	-40.35	407.69	13.35	-27.00
CC1(C)CC2=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3CC4)=CC=C2O1	REAL300018645935	0	54	0.0	-44.08	385.59	11.05	-33.03
O=C([O-])C1(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)CC2CCC1CC2	REAL300018645936	0	49	0.0	-40.25	364.82	8.24	-32.01
O=C([O-])C1(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)CC2CCC1CC2	REAL300018645937	0	46	0.0	-37.79	364.63	9.62	-28.17
CC(CC1=CSC=C1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645938	0	46	0.0	-34.54	333.18	10.07	-24.47
O=C([O-])C1(C[NH2+]CC2CCCCCCC2)CC2CCC1CC2	REAL300018645939	0	55	0.0	-37.80	350.72	10.93	-26.87
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645940	0	53	0.0	-48.94	385.60	10.35	-38.59
COC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=CC(C(F)(F)F)=C1	REAL300018645941	0	50	0.0	-45.17	376.39	10.10	-35.07
O=C([O-])C1(C[NH2+]CC2=CC=C(Br)C=C2Cl)CC2CCC1CC2	REAL300018645942	0	43	0.0	-36.52	341.30	10.91	-25.61
CC(CSC(C)(C)C)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645943	0	52	0.0	-39.35	364.44	10.57	-28.78
CN(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)N1C	REAL300018645944	0	51	0.0	-47.47	360.65	9.20	-38.27
O=C([O-])C1(C[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)CC2CCC1CC2	REAL300018645945	0	50	0.0	-42.54	367.09	10.11	-32.43
CC(C)COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645946	0	56	0.0	-41.57	401.12	11.52	-30.05
COCCOC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018645947	0	54	0.0	-44.04	393.14	9.30	-34.74
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645948	0	52	0.0	-35.47	384.05	13.01	-22.46
CC1(C)CCCC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C1	REAL300018645949	0	55	0.0	-38.33	363.14	11.03	-27.30
O=C([O-])C1(C[NH2+]CC2=CC=C(OC(F)F)C(Cl)=C2)CC2CCC1CC2	REAL300018645950	0	47	0.0	-46.74	363.45	9.92	-36.82
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645951	0	54	0.0	-39.61	374.06	10.79	-28.82
O=C([O-])C1(C[NH2+]CC2=CC=C3CCCC3=C2)CC2CCC1CC2	REAL300018645952	0	50	0.0	-40.15	353.68	11.72	-28.43
CC1=CC=CC=C1CC(C)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645953	0	52	0.0	-34.00	358.94	11.58	-22.42
CC1=CC=CC(CC(C)[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645954	0	52	0.0	-34.03	364.38	11.80	-22.23
COC1=CC2=C(C=C1C[NH2+]CC1(C(=O)[O-])CC3CCC1CC3)OCO2	REAL300018645955	0	50	0.0	-43.35	362.38	7.82	-35.53
COC1=CC(Cl)=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1OC	REAL300018645956	0	51	0.0	-38.80	378.70	9.48	-29.32
COC1=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)SC=C1	REAL300018645957	0	44	0.0	-37.30	328.30	8.21	-29.09
CC(C)COC1=CC=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645958	0	56	0.0	-42.56	401.14	11.52	-31.04
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)CC2CCC1CC2	REAL300018645959	0	49	0.0	-45.31	354.70	11.97	-33.34
C=CCOC1=C(Cl)C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1OC	REAL300018645960	0	55	0.0	-46.32	421.65	11.17	-35.15
COC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1CN1C=CC=N1	REAL300018645961	0	57	0.0	-44.66	420.37	10.79	-33.87
CC(C)COC1=CC=CC=C1C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645962	0	56	0.0	-39.49	399.79	11.59	-27.90
CC1(C)CC2=CC=CC(C[NH2+]CC3(C(=O)[O-])CC4CCC3CC4)=C2O1	REAL300018645963	0	54	0.0	-40.68	385.48	11.02	-29.66
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=NC=C2Cl)CC2CCC1CC2	REAL300018645964	0	42	0.0	-36.35	331.63	8.86	-27.49
O=C([O-])C1(C[NH2+]CC2=NC3=C(CCCC3)S2)CC2CCC1CC2	REAL300018645965	0	49	0.0	-42.29	356.68	9.55	-32.74
O=C([O-])C1(C[NH2+]CC2=CC=NC=C2Br)CC2CCC1CC2	REAL300018645966	0	42	0.0	-37.42	319.02	8.61	-28.81
O=C([O-])C1(C[NH2+]CC2=CC=NC=C2Cl)CC2CCC1CC2	REAL300018645967	0	42	0.0	-38.06	315.43	8.51	-29.55
CC(C)(C[NH2+]CC1(C(=O)[O-])CC2CCC1CC2)N1CCOCC1	REAL300018645968	0	55	0.0	-39.99	361.74	6.67	-33.32
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC(Br)=C2)CC2CCC1CC2	REAL300018645969	0	43	0.0	-44.30	335.86	10.48	-33.82
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645970	0	49	0.0	-36.93	355.79	11.94	-24.99
CN1C=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C(C2=CC=CC=C2)=N1	REAL300018645971	0	53	0.0	-48.89	387.14	10.97	-37.92
CCC1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=N1	REAL300018645972	0	47	0.0	-46.65	341.14	8.39	-38.26
O=C([O-])C1(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)CC2CCC1CC2	REAL300018645973	0	50	0.0	-48.69	366.54	11.00	-37.69
O=C([O-])C1(C[NH2+]CC2=CC=C(C(F)(F)F)C=C2[N+](=O)[O-])CC2CCC1CC2	REAL300018645974	0	48	0.0	-56.00	367.10	11.40	-44.60
O=C([O-])C1(C[NH2+]CC2=CC3=CC=NC=C3C=C2)CC2CCC1CC2	REAL300018645975	0	48	0.0	-46.63	349.18	10.28	-36.35
CC1=C(Br)SC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645976	0	43	0.0	-39.65	339.66	10.24	-29.41
O=C([O-])C1(C[NH2+]CC2=CC=CC3=NNC=C32)CC2CCC1CC2	REAL300018645977	0	46	0.0	-47.07	334.28	8.50	-38.57
O=C([O-])C1(C[NH2+]CC2=CC=CC3=CNN=C32)CC2CCC1CC2	REAL300018645978	0	46	0.0	-45.31	334.45	8.50	-36.81
O=C([O-])C1(C[NH2+]CC2=CC3=CC(Br)=CC=C3O2)CC2CCC1CC2	REAL300018645979	0	46	0.0	-42.42	357.35	10.94	-31.48
O=C([O-])C1(C[NH2+]CC2=CN=C3CCCN23)CC2CCC1CC2	REAL300018645980	0	47	0.0	-46.82	334.18	9.40	-37.42
CS(=O)(=O)N1CCC([NH2+]CC2(C(=O)[O-])CC3CCC2CC3)CC1	REAL300018645981	0	51	0.0	-44.43	361.43	5.64	-38.79
COC1=CC(F)=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645982	0	47	0.0	-43.55	344.09	9.17	-34.38
CC(CC1=CN=CC=N1)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645983	0	47	0.0	-39.62	330.12	8.21	-31.41
CC(C)(C)C1=NC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=N1	REAL300018645984	0	53	0.0	-46.31	379.80	9.77	-36.54
COC1=CC=CC=C1N1CCC([NH2+]CC2(C(=O)[O-])CC3CCC2CC3)CC1	REAL300018645985	0	59	0.0	-41.85	409.07	9.71	-32.14
CC1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C(Cl)=C1	REAL300018645986	0	46	0.0	-41.67	342.28	10.91	-30.76
COC1=CC=C(OC(F)F)C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=C1	REAL300018645987	0	51	0.0	-42.23	375.54	8.72	-33.51
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC=C2OC(F)F)CC2CCC1CC2	REAL300018645988	0	47	0.0	-39.06	360.12	9.84	-29.22
O=C([O-])C1(C[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)CC2CCC1CC2	REAL300018645989	0	45	0.0	-55.94	348.84	10.84	-45.10
O=C([O-])C1(C[NH2+]CCC2=CC=CC(Cl)=C2)CC2CCC1CC2	REAL300018645990	0	46	0.0	-39.58	346.40	11.09	-28.49
O=C([O-])C1(C[NH2+]C2CCCC2C2=CC=CC=C2)CC2CCC1CC2	REAL300018645991	0	53	0.0	-37.67	369.15	12.01	-25.66
CC1=CC(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)=CC=C1OC1=CC=CN=C1	REAL300018645992	0	56	0.0	-45.93	411.32	11.51	-34.42
CC(CC1=CC=C(F)C=C1Br)[NH2+]CC1(C(=O)[O-])CC2CCC1CC2	REAL300018645993	0	49	0.0	-35.79	357.01	12.02	-23.77
CC1=CC=C(C2=NC=C(C[NH2+]CC3(C(=O)[O-])CC4CCC3CC4)S2)C=C1	REAL300018645994	0	52	0.0	-42.92	394.59	11.50	-31.42
O=C([O-])C1(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)CC2CCC1CC2	REAL300018645995	0	48	0.0	-41.32	364.64	10.85	-30.47
O=C([O-])C1(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)CC2CCC1CC2	REAL300018645996	0	48	0.0	-35.78	361.93	10.73	-25.05
O=C([O-])C1(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)CC2CCC1CC2	REAL300018645997	0	48	0.0	-44.96	353.61	10.37	-34.59
O=C([O-])C1(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)CC2CCC1CC2	REAL300018645998	0	48	0.0	-42.04	354.32	10.41	-31.63
O=C([O-])C1(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)CC2CCC1CC2	REAL300018645999	0	48	0.0	-44.32	362.47	10.75	-33.57
CS(=O)C1=CC=C(C[NH2+]CC2(C(=O)[O-])CC3CCC2CC3)C=C1	REAL300018646000	0	48	0.0	-48.30	360.37	8.40	-39.90
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1F	REAL300018648555	0	44	0.0	-77.88	339.30	8.54	-69.34
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])(CC1)OC2	REAL300018648557	0	43	0.0	-73.28	349.12	8.91	-64.37
CC1(C)CC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC(C)(C)C1	REAL300018648558	0	56	0.0	-69.47	382.57	9.14	-60.33
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC(Br)=CC=C4C3)(CC1)OC2	REAL300018648559	0	48	0.0	-77.24	371.18	9.98	-67.26
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648560	0	54	0.0	-73.59	401.45	10.01	-63.58
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(Cl)=C1OC	REAL300018648561	0	49	0.0	-74.79	387.23	7.60	-67.19
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(CC1)OC2	REAL300018648562	0	48	0.0	-77.75	379.94	10.45	-67.30
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CC=C4S3)(CC1)OC2	REAL300018648563	0	44	0.0	-75.07	349.82	9.36	-65.71
CC(C)OC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648564	0	51	0.0	-76.72	381.86	8.67	-68.05
CCCCCCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648565	0	63	0.0	-76.53	471.44	11.97	-64.56
CC(C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)CC1=CC=C(C(C)(C)C)C=C1	REAL300018648566	0	62	0.0	-74.29	445.55	12.20	-62.09
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1F	REAL300018648567	0	44	0.0	-80.07	339.30	8.53	-71.54
O=C([O-])C12CCC(C[NH2+]CC3=C4NC=CC4=CC=C3)(CC1)OC2	REAL300018648568	0	45	0.0	-76.69	343.80	7.82	-68.87
O=C([O-])C12CCC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)(CC1)OC2	REAL300018648569	0	40	0.0	-91.46	332.63	7.63	-83.83
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3N3CCOCC3)(CC1)OC2	REAL300018648570	0	54	0.0	-71.43	397.15	7.40	-64.03
CC(C)CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648571	0	53	0.0	-73.52	393.73	10.51	-63.01
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=C2)C=C1	REAL300018648572	0	54	0.0	-77.48	408.20	11.91	-65.57
CC1=CC(C)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648573	0	47	0.0	-73.95	355.39	9.15	-64.80
COC1=CC=C(Br)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648574	0	45	0.0	-70.92	357.44	7.71	-63.21
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1[N+](=O)[O-]	REAL300018648575	0	47	0.0	-91.40	368.10	8.56	-82.84
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(CC1)OC2	REAL300018648576	0	41	0.0	-80.24	346.04	8.84	-71.40
CC1=CC=CC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648577	0	47	0.0	-72.75	345.75	8.90	-63.85
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648578	0	54	0.0	-76.64	408.68	11.91	-64.73
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(CC1)OC2	REAL300018648579	0	45	0.0	-79.53	351.84	7.41	-72.12
CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1OCC	REAL300018648580	0	55	0.0	-81.09	415.03	8.87	-72.22
CC(C)C1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648581	0	53	0.0	-69.59	360.93	9.16	-60.43
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)(CC1)OC2	REAL300018648582	0	44	0.0	-86.09	364.47	9.24	-76.85
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(F)C=C3Br)(CC1)OC2	REAL300018648583	0	41	0.0	-73.15	335.27	8.45	-64.70
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(CC1)OC2	REAL300018648584	0	44	0.0	-86.52	352.19	6.93	-79.59
O=C([O-])C12CCC(C[NH2+]CC3=CC=NC4=CC=CC=C34)(CC1)OC2	REAL300018648585	0	46	0.0	-83.60	349.05	8.09	-75.51
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)(CC1)OC2	REAL300018648586	0	45	0.0	-79.40	358.58	7.62	-71.78
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648587	0	47	0.0	-87.61	373.28	5.34	-82.27
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COCCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648697	0	55	0.0	-76.42	419.11	7.92	-68.50
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1SC	REAL300018648698	0	49	0.0	-81.35	381.49	8.17	-73.18
CCC(C)OC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1OC	REAL300018648699	0	58	0.0	-80.77	431.86	9.36	-71.41
C=C(C)COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1OC	REAL300018648700	0	56	0.0	-81.85	425.50	9.30	-72.55
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1OCCC(C)C	REAL300018648701	0	61	0.0	-80.92	453.75	10.05	-70.87
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CCOCC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1OC	REAL300018648703	0	55	0.0	-76.01	416.17	8.04	-67.97
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CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648705	0	50	0.0	-79.94	390.79	8.79	-71.15
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CCCC(CC1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648707	0	53	0.0	-67.43	386.95	10.55	-56.88
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CCN1N=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1C	REAL300018648710	0	50	0.0	-77.72	376.29	7.46	-70.26
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648711	0	53	0.0	-77.77	408.27	10.95	-66.82
C=CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1Cl	REAL300018648712	0	49	0.0	-81.37	392.87	9.19	-72.18
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)(CC1)OC2	REAL300018648713	0	47	0.0	-78.11	377.61	8.85	-69.26
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648714	0	54	0.0	-72.70	399.37	8.95	-63.75
CC(C)CCC1CCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648715	0	56	0.0	-68.85	389.63	10.41	-58.44
CCCCC1CCCC1[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648716	0	53	0.0	-69.05	376.19	9.49	-59.56
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C2OC(C)CC2=C1	REAL300018648717	0	53	0.0	-71.53	399.00	7.71	-63.82
CN1N=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C2=CC=CC=C21	REAL300018648718	0	47	0.0	-77.85	362.53	7.75	-70.10
O=C([O-])C12CCC(C[NH2+]CC3=C4C=CC=CC4=NN3)(CC1)OC2	REAL300018648719	0	44	0.0	-87.63	339.47	6.45	-81.18
O=C([O-])C12CCC(C[NH2+]CC3=NNC4=CC=CC=C43)(CC1)OC2	REAL300018648719	1	44	0.0	-76.22	339.67	6.46	-69.76
CN(C)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1F	REAL300018648720	0	49	0.0	-80.41	373.65	7.38	-73.03
O=C([O-])C12CCC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(CC1)OC2	REAL300018648721	0	44	0.0	-79.32	349.78	7.32	-72.00
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648723	0	56	0.0	-69.96	420.48	11.59	-58.37
CC1(C)CC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=CC=C2O1	REAL300018648724	0	52	0.0	-79.05	389.99	9.07	-69.98
O=C([O-])C12CCC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(CC1)OC2	REAL300018648725	0	47	0.0	-78.24	369.24	6.27	-71.97
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)(CC1)OC2	REAL300018648726	0	44	0.0	-75.73	369.05	7.65	-68.08
CC(CC1=CSC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648727	0	44	0.0	-69.35	337.61	8.08	-61.27
O=C([O-])C12CCC(C[NH2+]CC3CCCCCCC3)(CC1)OC2	REAL300018648728	0	53	0.0	-72.14	354.67	9.00	-63.14
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648729	0	51	0.0	-79.58	390.16	8.36	-71.22
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC(C(F)(F)F)=C1	REAL300018648730	0	48	0.0	-80.98	381.14	8.14	-72.84
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Br)C=C3Cl)(CC1)OC2	REAL300018648731	0	41	0.0	-73.21	346.57	8.89	-64.32
CC(CSC(C)(C)C)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648732	0	50	0.0	-65.61	368.86	8.59	-57.02
CN(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)N1C	REAL300018648733	0	49	0.0	-79.86	371.20	6.89	-72.97
O=C([O-])C12CCC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)(CC1)OC2	REAL300018648734	0	48	0.0	-82.15	371.50	8.14	-74.01
CC(C)COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648735	0	54	0.0	-76.42	405.55	9.54	-66.88
COCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648736	0	52	0.0	-78.86	397.57	7.32	-71.54
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648737	0	50	0.0	-72.18	396.80	10.70	-61.48
CC1(C)CCCC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C1	REAL300018648738	0	53	0.0	-72.47	367.56	9.06	-63.41
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)(CC1)OC2	REAL300018648739	0	45	0.0	-82.15	367.86	7.95	-74.20
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648740	0	52	0.0	-72.60	378.89	8.84	-63.76
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4CCCC4=C3)(CC1)OC2	REAL300018648741	0	48	0.0	-74.41	358.09	9.74	-64.67
CC1=CC=CC=C1CC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648742	0	50	0.0	-69.95	363.44	9.60	-60.35
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COC1=CC2=C(C=C1C[NH2+]CC13CCC(C(=O)[O-])(CC1)CO3)OCO2	REAL300018648744	0	48	0.0	-75.52	366.75	5.85	-69.67
COC1=CC(Cl)=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1OC	REAL300018648745	0	49	0.0	-76.94	383.12	7.51	-69.43
COC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)SC=C1	REAL300018648746	0	42	0.0	-67.22	332.70	6.24	-60.98
CC(C)COC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648747	0	54	0.0	-74.58	405.54	9.55	-65.03
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COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1CN1C=CC=N1	REAL300018648750	0	55	0.0	-82.93	424.67	8.82	-74.11
CC(C)COC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648751	0	54	0.0	-68.25	404.19	9.61	-58.64
CC1(C)CC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=C2O1	REAL300018648752	0	52	0.0	-68.56	389.79	9.05	-59.51
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)(CC1)OC2	REAL300018648753	0	40	0.0	-69.83	336.05	6.87	-62.96
O=C([O-])C12CCC(C[NH2+]CC3=NC4=C(CCCC4)S3)(CC1)OC2	REAL300018648754	0	47	0.0	-72.14	361.10	7.57	-64.57
O=C([O-])C12CCC(C[NH2+]CC3=CC=NC=C3Br)(CC1)OC2	REAL300018648755	0	40	0.0	-73.63	324.27	6.60	-67.03
O=C([O-])C12CCC(C[NH2+]CC3=CC=NC=C3Cl)(CC1)OC2	REAL300018648756	0	40	0.0	-74.39	320.66	6.50	-67.89
CC(C)(C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)N1CCOCC1	REAL300018648757	0	53	0.0	-72.63	365.79	4.84	-67.79
O=C([O-])C12CCC(C[NH2+]CC3=CC(F)=CC(Br)=C3)(CC1)OC2	REAL300018648758	0	41	0.0	-81.26	340.28	8.51	-72.75
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648759	0	47	0.0	-70.05	368.16	9.63	-60.42
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C2=CC=CC=C2)=N1	REAL300018648760	0	51	0.0	-76.67	391.87	8.99	-67.68
CCC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=N1	REAL300018648761	0	45	0.0	-82.42	345.53	6.41	-76.01
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(CC1)OC2	REAL300018648762	0	48	0.0	-79.45	371.00	9.02	-70.43
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3[N+](=O)[O-])(CC1)OC2	REAL300018648763	0	46	0.0	-80.40	371.14	9.40	-71.00
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(CC1)OC2	REAL300018648764	0	46	0.0	-82.65	353.58	8.31	-74.34
CC1=C(Br)SC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648765	0	41	0.0	-77.80	344.07	8.26	-69.54
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=NNC=C43)(CC1)OC2	REAL300018648766	0	44	0.0	-86.33	338.70	6.53	-79.80
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=CNN=C43)(CC1)OC2	REAL300018648767	0	44	0.0	-69.42	338.85	6.51	-62.91
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(Br)=CC=C4O3)(CC1)OC2	REAL300018648768	0	44	0.0	-80.68	361.75	8.97	-71.71
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4CCCN34)(CC1)OC2	REAL300018648769	0	45	0.0	-78.45	338.59	7.42	-71.03
CS(=O)(=O)N1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648770	0	49	0.0	-83.32	365.85	3.66	-79.66
COC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648771	0	45	0.0	-79.42	348.50	7.20	-72.22
CC(CC1=CN=CC=N1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648772	0	45	0.0	-65.99	335.11	6.19	-59.80
CC(C)(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=N1	REAL300018648773	0	51	0.0	-81.89	384.21	7.78	-74.11
COC1=CC=CC=C1N1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648774	0	57	0.0	-74.64	408.54	7.72	-66.92
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(Cl)=C1	REAL300018648775	0	44	0.0	-68.79	346.69	8.94	-59.85
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648776	0	49	0.0	-75.49	379.95	6.75	-68.74
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)(CC1)OC2	REAL300018648777	0	45	0.0	-70.22	364.55	7.87	-62.35
O=C([O-])C12CCC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)(CC1)OC2	REAL300018648778	0	43	0.0	-95.05	353.25	8.87	-86.18
O=C([O-])C12CCC(C[NH2+]CCC3=CC=CC(Cl)=C3)(CC1)OC2	REAL300018648779	0	44	0.0	-76.11	350.83	9.10	-67.01
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=CC=C3)(CC1)OC2	REAL300018648780	0	51	0.0	-69.32	370.14	10.07	-59.25
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1OC1=CC=CN=C1	REAL300018648781	0	54	0.0	-79.38	417.88	9.70	-69.68
CC1=CC=C(C2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)S2)C=C1	REAL300018648782	0	50	0.0	-78.09	399.01	9.53	-68.56
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)(CC1)OC2	REAL300018648783	0	46	0.0	-71.42	368.91	8.85	-62.57
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)(CC1)OC2	REAL300018648784	0	46	0.0	-64.58	366.32	8.76	-55.82
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(CC1)OC2	REAL300018648785	0	46	0.0	-72.82	357.99	8.41	-64.41
O=C([O-])C12CCC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(CC1)OC2	REAL300018648786	0	46	0.0	-72.62	358.61	8.41	-64.21
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)(CC1)OC2	REAL300018648787	0	46	0.0	-72.00	366.83	8.79	-63.21
CS(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648788	0	46	0.0	-88.55	364.80	6.41	-82.14
O=C([O-])C12CCC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)(CC1)OC2	REAL300018648789	0	43	0.0	-84.00	353.50	8.94	-75.06
CC(C)CCN1C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648790	0	54	0.0	-73.63	399.64	10.22	-63.41
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)(CC1)OC2	REAL300018648791	0	48	0.0	-78.74	387.32	9.88	-68.86
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)O1	REAL300018648792	0	51	0.0	-79.10	399.77	10.47	-68.63
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)O2)C=C1	REAL300018648793	0	54	0.0	-77.40	415.71	11.16	-66.24
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(OC(F)F)=C1	REAL300018648794	0	49	0.0	-78.04	379.95	6.76	-71.28
CC(C)C1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CCO1	REAL300018648795	0	51	0.0	-72.66	355.36	7.12	-65.54
CCN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C2=CC=CC=C2)=N1	REAL300018648796	0	54	0.0	-76.36	413.08	9.87	-66.49
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4CCCCC4=C3)(CC1)OC2	REAL300018648797	0	51	0.0	-73.97	375.28	10.32	-63.65
O=C([O-])C12CCC(C[NH2+]C3CCC(C4CCCCC4)CC3)(CC1)OC2	REAL300018648798	0	60	0.0	-69.89	402.55	11.04	-58.85
CC(C)CC(C)CC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648799	0	55	0.0	-68.33	383.73	9.37	-58.96
CC1=CC=C(C(C)C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648800	0	50	0.0	-73.25	370.00	9.80	-63.45
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1C(C)(C)C	REAL300018648801	0	57	0.0	-76.13	413.25	9.81	-66.32
COCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)O1	REAL300018648802	0	45	0.0	-76.96	348.90	5.85	-71.11
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648803	0	54	0.0	-74.22	392.98	8.97	-65.25
CC(C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)C1CCCCC1	REAL300018648804	0	53	0.0	-71.52	368.44	9.28	-62.24
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648805	0	46	0.0	-88.56	366.81	2.78	-85.78
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)(CC1)OC2	REAL300018648806	0	48	0.0	-73.57	364.00	9.79	-63.78
CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C)=C1	REAL300018648807	0	51	0.0	-75.90	378.76	8.68	-67.22
COC1=CC(C)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648808	0	48	0.0	-68.58	362.13	7.86	-60.72
O=C([O-])C12CCC(C[NH2+]CC3CCC4=CC=CC=C4C3)(CC1)OC2	REAL300018648809	0	51	0.0	-77.10	372.12	10.27	-66.83
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648810	0	43	0.0	-79.08	354.24	6.93	-72.15
O=C([O-])C12CCC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)(CC1)OC2	REAL300018648811	0	51	0.0	-76.60	379.40	10.23	-66.37
COCC1=CSC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648812	0	45	0.0	-74.53	358.07	6.66	-67.87
CCCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)S1	REAL300018648813	0	47	0.0	-72.83	367.67	9.29	-63.54
CC(C)N1C=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648814	0	47	0.0	-77.29	353.43	7.64	-69.65
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=CC=C1[N+](=O)[O-]	REAL300018648815	0	46	0.0	-87.44	350.20	8.95	-78.49
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1Br	REAL300018648816	0	44	0.0	-78.74	352.07	9.01	-69.73
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1Cl	REAL300018648817	0	45	0.0	-82.30	358.12	7.68	-74.62
COC1=CC=CC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648818	0	48	0.0	-68.07	357.75	7.71	-60.36
O=C([O-])C12CCC(C[NH2+]CC3=C4OC=CC4=CC=C3)(CC1)OC2	REAL300018648819	0	44	0.0	-72.70	339.93	8.15	-64.55
O=C([O-])C12CCC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(CC1)OC2	REAL300018648820	0	48	0.0	-76.97	371.47	8.95	-68.02
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(CC1)OC2	REAL300018648821	0	40	0.0	-84.76	338.65	6.24	-78.52
CCC1=NN(C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648822	0	47	0.0	-78.10	356.53	6.96	-71.14
O=C([O-])C12CCC(C[NH2+]CC3=NN4CCCCC4=C3)(CC1)OC2	REAL300018648823	0	48	0.0	-73.34	357.18	7.16	-66.18
CCC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648824	0	47	0.0	-73.95	355.47	9.26	-64.69
COC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)S1	REAL300018648825	0	41	0.0	-78.91	330.09	3.43	-75.48
O=C([O-])C12CCC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)(CC1)OC2	REAL300018648826	0	45	0.0	-78.69	351.04	9.40	-69.29
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)(CC1)OC2	REAL300018648827	0	46	0.0	-77.11	352.01	5.19	-71.92
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)(CC1)OC2	REAL300018648828	0	44	0.0	-81.54	356.14	8.77	-72.77
CC1=CC=CN2C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=CN=C12	REAL300018648829	0	47	0.0	-81.72	360.87	8.87	-72.85
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CN=C1Cl	REAL300018648830	0	41	0.0	-83.18	328.92	6.69	-76.49
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CN=C1Br	REAL300018648831	0	41	0.0	-83.11	333.21	6.72	-76.39
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)(CC1)OC2	REAL300018648832	0	47	0.0	-85.13	371.90	7.73	-77.40
O=C([O-])C12CCC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(CC1)OC2	REAL300018648833	0	41	0.0	-87.22	333.69	5.20	-82.02
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(CC1)OC2	REAL300018648834	0	45	0.0	-81.74	350.97	7.84	-73.90
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(CC1)OC2	REAL300018648835	0	45	0.0	-83.17	350.87	7.84	-75.33
CCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=N1	REAL300018648836	0	47	0.0	-77.17	361.60	5.43	-71.74
CC1=C(Cl)C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648837	0	44	0.0	-76.88	342.05	8.82	-68.06
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=NC=C4S3)(CC1)OC2	REAL300018648838	0	43	0.0	-81.78	344.70	7.58	-74.20
CC1=CC=CC2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)N21	REAL300018648839	0	47	0.0	-80.25	349.93	8.65	-71.60
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648840	0	53	0.0	-76.36	396.63	8.56	-67.80
C=CCCCCCC(C)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648841	0	53	0.0	-68.80	386.94	9.83	-58.97
CC1=CC(Cl)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648842	0	44	0.0	-76.89	350.72	8.99	-67.90
COCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648843	0	48	0.0	-76.16	367.65	7.55	-68.61
COCC(CC(C)(C)C)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648844	0	53	0.0	-66.32	371.08	6.86	-59.46
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(CC1)OC2	REAL300018648845	0	46	0.0	-87.58	359.99	8.27	-79.31
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC2=CC=CN=C12	REAL300018648846	0	49	0.0	-82.28	373.81	9.02	-73.26
CC(C)C1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C1	REAL300018648847	0	53	0.0	-69.91	367.36	8.93	-60.98
CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1C	REAL300018648848	0	54	0.0	-76.54	405.51	9.60	-66.94
COC1=C(C)C=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1C	REAL300018648849	0	50	0.0	-72.93	375.03	6.63	-66.30
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648850	0	51	0.0	-72.40	386.41	9.47	-62.93
O=C([O-])C12CCC(C[NH2+]C3CCCCC34CCCC4)(CC1)OC2	REAL300018648851	0	54	0.0	-66.31	361.52	9.48	-56.83
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)S1	REAL300018648852	0	44	0.0	-87.33	365.66	4.51	-82.82
O=C([O-])C12CCC(C[NH2+]CC3=C4N=CC(Br)=CN4N=C3)(CC1)OC2	REAL300018648853	0	43	0.0	-73.24	356.48	7.37	-65.87
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)O2)C=C1	REAL300018648854	0	60	0.0	-77.10	448.94	12.03	-65.07
NC1=C(F)C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648855	0	43	0.0	-77.07	328.62	5.95	-71.12
CC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CCN1CC1=CC=CC=C1	REAL300018648856	0	59	0.0	-70.81	421.74	9.02	-61.79
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648857	0	61	0.0	-71.33	446.32	10.63	-60.70
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648858	0	61	0.0	-71.56	453.24	10.97	-60.59
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(CC1)OC2	REAL300018648859	0	44	0.0	-80.23	346.75	8.75	-71.48
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(CC1)OC2	REAL300018648860	0	43	0.0	-84.78	351.99	5.80	-78.98
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3CCC4)(CC1)OC2	REAL300018648861	0	48	0.0	-74.05	356.89	9.66	-64.39
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C([N+](=O)[O-])=N1	REAL300018648862	0	43	0.0	-83.95	340.76	7.21	-76.74
O=C([O-])C12CCC(C[NH2+]CC3=NC(Cl)=CS3)(CC1)OC2	REAL300018648863	0	37	0.0	-76.30	314.34	5.39	-70.91
COC1=NSC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648864	0	41	0.0	-81.68	329.89	3.75	-77.93
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4C=CC(Br)=CN34)(CC1)OC2	REAL300018648865	0	44	0.0	-81.54	360.71	8.88	-72.66
O=C([O-])C12CCC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(CC1)OC2	REAL300018648866	0	46	0.0	-74.19	350.31	8.12	-66.07
COC1=CC=CC(Cl)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648867	0	45	0.0	-64.72	354.81	7.60	-57.12
CC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)N1C1=CC=CC=C1	REAL300018648868	0	51	0.0	-74.44	391.62	10.11	-64.33
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648869	0	59	0.0	-77.98	447.40	12.59	-65.39
CCCN1N=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1C	REAL300018648870	0	53	0.0	-77.59	397.79	8.21	-69.38
CCN(CC)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1F	REAL300018648871	0	55	0.0	-80.66	413.05	9.00	-71.66
CCOC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C12CCCC2	REAL300018648872	0	55	0.0	-67.72	392.25	8.88	-58.84
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C(SC)C=C1OC	REAL300018648873	0	53	0.0	-73.39	406.93	7.97	-65.42
CN(C)C1=CC=C(N2CCC([NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)CC2)C=C1	REAL300018648874	0	61	0.0	-73.59	431.54	8.54	-65.05
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648875	0	52	0.0	-75.57	388.35	10.38	-65.19
O=C([O-])C12CCC(C[NH2+]C3CCCC34CCCC4)(CC1)OC2	REAL300018648876	0	51	0.0	-66.77	350.11	9.28	-57.49
CCCC(C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)C1=CC=CC=C1	REAL300018648877	0	53	0.0	-71.52	389.61	10.46	-61.06
CC1CC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC(C2=CC=CC=C2)C1	REAL300018648878	0	57	0.0	-72.33	402.51	11.05	-61.28
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C4CC4)O3)(CC1)OC2	REAL300018648879	0	44	0.0	-78.72	341.30	5.13	-73.59
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648880	0	51	0.0	-71.34	386.89	8.81	-62.53
O=C([O-])C12CCC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)(CC1)OC2	REAL300018648881	0	43	0.0	-77.16	350.66	7.35	-69.81
O=C([O-])C12CCC(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)(CC1)OC2	REAL300018648882	0	45	0.0	-77.75	356.89	7.53	-70.22
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC2=CC=CC=C21	REAL300018648883	0	51	0.0	-80.01	387.06	9.43	-70.58
CCOC1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648884	0	47	0.0	-79.58	358.87	6.23	-73.35
CCOC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648885	0	48	0.0	-79.15	370.35	8.12	-71.03
COC1=CC=C(C(C)C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648886	0	51	0.0	-76.12	378.07	8.41	-67.71
CN1N=C(C2CC2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648887	0	48	0.0	-82.22	364.90	7.48	-74.74
O=C([O-])C12CCC(C[NH2+]C3CCC4(CCCCC4)CC3)(CC1)OC2	REAL300018648889	0	57	0.0	-70.29	380.04	9.69	-60.60
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)C(C)C1=CC=CC=C1	REAL300018648890	0	50	0.0	-70.02	363.12	9.50	-60.52
O=C([O-])C12CCC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)(CC1)OC2	REAL300018648891	0	49	0.0	-79.81	365.08	8.90	-70.91
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648892	0	56	0.0	-70.68	405.97	7.86	-62.82
COC1=CC=CC2=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)C=CC=C12	REAL300018648893	0	51	0.0	-78.89	381.97	9.32	-69.57
O=C([O-])C12CCC(C[NH2+]CC3=CC=NN3CC3CC3)(CC1)OC2	REAL300018648894	0	48	0.0	-80.37	366.78	7.87	-72.50
CC(CCC1=CC=CN=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648895	0	49	0.0	-75.23	364.37	8.16	-67.07
CC(C)C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648896	0	50	0.0	-73.98	372.80	9.75	-64.23
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)O1	REAL300018648897	0	43	0.0	-88.56	349.99	0.96	-87.60
O=C([O-])C12CCC(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)(CC1)OC2	REAL300018648898	0	52	0.0	-76.32	391.39	10.85	-65.47
O=C([O-])C12CCC(C[NH2+]C3CCC4(CCOCC4)CC3)(CC1)OC2	REAL300018648899	0	55	0.0	-73.35	371.58	7.34	-66.01
COC1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1C	REAL300018648900	0	47	0.0	-78.96	351.12	6.00	-72.96
NC1=C(Cl)C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648901	0	43	0.0	-76.00	337.55	6.43	-69.57
O=C([O-])C12CCC(C[NH2+]CCC3=CC=C(F)C=C3Cl)(CC1)OC2	REAL300018648902	0	44	0.0	-75.37	353.11	9.04	-66.33
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CN=CC=C4O3)(CC1)OC2	REAL300018648903	0	43	0.0	-82.81	335.19	6.62	-76.19
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(CC1)OC2	REAL300018648904	0	41	0.0	-81.18	343.45	8.13	-73.05
CC1=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)NC2=CC=C1	REAL300018648905	0	48	0.0	-79.94	365.37	8.41	-71.53
CCOC1CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648906	0	51	0.0	-70.15	363.70	7.33	-62.82
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(CC1)OC2	REAL300018648907	0	41	0.0	-80.68	343.20	7.97	-72.71
CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C)=C1	REAL300018648908	0	54	0.0	-75.67	400.25	9.48	-66.19
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1OC1CC1	REAL300018648909	0	53	0.0	-82.71	402.37	8.69	-74.02
O=C([O-])C12CCC(C[NH2+]C3CCC4(CCCC4)CC3)(CC1)OC2	REAL300018648910	0	54	0.0	-70.02	369.39	9.37	-60.65
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(CC1)OC2	REAL300018648911	0	43	0.0	-84.85	340.58	6.95	-77.90
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC=CC=C4CC3)(CC1)OC2	REAL300018648912	0	51	0.0	-73.20	363.79	9.84	-63.36
O=C([O-])C12CCC(C[NH2+]CC3=NC=C(Br)S3)(CC1)OC2	REAL300018648913	0	37	0.0	-75.72	319.06	5.70	-70.02
CCC1(C)CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648914	0	53	0.0	-69.48	359.67	8.58	-60.90
O=C([O-])C12CCC(C[NH2+]C3CCCC4=CC=CC=C4C3)(CC1)OC2	REAL300018648915	0	51	0.0	-72.67	363.98	9.86	-62.81
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C(F)F)=N1	REAL300018648916	0	44	0.0	-71.01	344.70	6.50	-64.51
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)C1CCCCCC1	REAL300018648917	0	53	0.0	-68.60	356.65	9.06	-59.54
CC([NH2+]CC12CCC(C(=O)[O-])(CC1)CO2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018648918	0	53	0.0	-70.68	398.02	10.18	-60.50
CCC1(CC)CCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648919	0	56	0.0	-70.24	374.24	9.07	-61.17
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3CCOC4)(CC1)OC2	REAL300018648920	0	49	0.0	-76.76	359.41	7.80	-68.96
O=C([O-])C12CCC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)(CC1)OC2	REAL300018648921	0	48	0.0	-74.48	362.77	9.75	-64.73
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648922	0	50	0.0	-67.90	373.61	9.48	-58.42
NS(=O)(=O)C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648923	0	46	0.0	-85.80	366.81	2.77	-83.03
CCCN1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648924	0	47	0.0	-79.59	351.78	7.11	-72.48
CC1=CC=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)NC2=C1	REAL300018648925	0	48	0.0	-79.59	365.83	8.43	-71.16
O=C([O-])C12CCC(C[NH2+]CC3=C4CCCN4N=C3)(CC1)OC2	REAL300018648926	0	45	0.0	-78.55	339.10	6.44	-72.11
O=C([O-])C12CCC(C[NH2+]CC3=NN4CCCC4=C3)(CC1)OC2	REAL300018648927	0	45	0.0	-74.52	339.11	6.34	-68.18
O=C([O-])C12CCC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(CC1)OC2	REAL300018648928	0	40	0.0	-78.68	337.93	6.14	-72.54
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)(CC1)OC2	REAL300018648929	0	45	0.0	-75.78	356.92	7.55	-68.23
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648930	0	49	0.0	-87.83	371.82	9.48	-78.35
O=C([O-])C12CCC(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)(CC1)OC2	REAL300018648931	0	57	0.0	-73.69	400.70	11.16	-62.53
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CN=C4O3)(CC1)OC2	REAL300018648932	0	43	0.0	-84.05	335.23	5.31	-78.74
CC1=CC(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)C=C2)=CC(C)=C1	REAL300018648933	0	57	0.0	-77.31	429.61	12.56	-64.75
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)(CC1)OC2	REAL300018648934	0	51	0.0	-71.77	381.22	11.01	-60.76
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CC=C1N1C=NC=N1	REAL300018648935	0	50	0.0	-85.08	381.53	11.28	-73.80
CCC1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648936	0	53	0.0	-68.43	360.50	8.81	-59.62
CC1(C)CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648937	0	53	0.0	-69.38	359.70	8.61	-60.77
CC(C)(C)C1CCCC([NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)CC1	REAL300018648938	0	59	0.0	-69.65	393.32	9.77	-59.88
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(CC1)OC2	REAL300018648939	0	44	0.0	-81.50	346.87	8.42	-73.08
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(CC1)OC2	REAL300018648940	0	48	0.0	-82.02	376.96	8.36	-73.66
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)(CC1)OC2	REAL300018648941	0	48	0.0	-81.77	376.50	6.13	-75.64
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(Br)=C1	REAL300018648942	0	45	0.0	-71.17	358.34	7.67	-63.50
COCC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648943	0	48	0.0	-76.04	367.64	7.55	-68.49
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648944	0	51	0.0	-82.26	408.55	10.10	-72.16
CN(C)CC1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=CS1	REAL300018648945	0	48	0.0	-73.96	373.79	4.32	-69.64
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)(CC1)OC2	REAL300018648946	0	52	0.0	-80.74	413.18	11.92	-68.82
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C(OC(F)F)C=C1C	REAL300018648947	0	51	0.0	-74.11	389.56	8.70	-65.41
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648948	0	58	0.0	-73.91	417.98	9.02	-64.89
CC1=CC=C(CC[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648949	0	47	0.0	-74.10	355.49	9.28	-64.82
COC1=CC(C)=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1OC	REAL300018648950	0	52	0.0	-79.80	386.11	7.64	-72.16
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3C3CC3)(CC1)OC2	REAL300018648951	0	48	0.0	-72.78	355.61	9.83	-62.95
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3[N+](=O)[O-])(CC1)OC2	REAL300018648952	0	43	0.0	-74.74	371.57	9.74	-65.00
CC1=C(Br)C=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)S1	REAL300018648953	0	41	0.0	-75.28	345.16	8.33	-66.95
O=C([O-])C12CCC(C[NH2+]CCC3=CC=C(F)C=C3F)(CC1)OC2	REAL300018648954	0	44	0.0	-76.13	346.07	8.71	-67.42
CC1=CC(C)=CC(CC[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648955	0	50	0.0	-73.93	376.92	9.92	-64.01
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)(CC1)OC2	REAL300018648956	0	48	0.0	-81.27	385.33	8.22	-73.05
O=C([O-])C12CCC(C[NH2+]C3CCCCC3C3=CC=CC=C3Cl)(CC1)OC2	REAL300018648957	0	54	0.0	-63.37	388.25	11.60	-51.77
COC1=CC=C(CC(C)[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C)=C1OC	REAL300018648958	0	58	0.0	-76.06	422.50	8.90	-67.16
COC1=CC=C(N2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)C=N2)C=C1	REAL300018648959	0	52	0.0	-82.29	400.90	8.34	-73.95
CC(CCC1=CSC=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648960	0	47	0.0	-71.98	359.53	8.89	-63.09
COCCC1=CC=C(OCC(C)[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=C1	REAL300018648961	0	58	0.0	-72.77	434.31	8.57	-64.20
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648962	0	50	0.0	-70.94	386.79	10.42	-60.52
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648963	0	51	0.0	-82.41	403.93	10.27	-72.14
O=C([O-])C12CCC(C[NH2+]CC3=C(F)C=NC=C3Br)(CC1)OC2	REAL300018648964	0	40	0.0	-70.89	331.29	6.58	-64.31
O=C([O-])C12CCC(C[NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)(CC1)OC2	REAL300018648965	0	54	0.0	-75.13	405.46	11.18	-63.95
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=C(C(F)(F)F)C=C3)(CC1)OC2	REAL300018648966	0	54	0.0	-75.14	403.22	11.50	-63.64
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(CC1)OC2	REAL300018648967	0	45	0.0	-79.21	359.36	6.67	-72.54
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(CC1)OC2	REAL300018648968	0	47	0.0	-83.11	368.77	6.07	-77.04
CC(CC1=CN(C)N=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648969	0	47	0.0	-73.33	350.70	6.88	-66.45
CN1N=CC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=CN=C21	REAL300018648970	0	46	0.0	-87.06	356.88	6.96	-80.10
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648971	0	50	0.0	-74.50	381.41	10.06	-64.44
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648972	0	51	0.0	-63.33	401.66	10.50	-52.83
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648973	1	61	0.0	-72.74	433.94	10.11	-62.63
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648974	0	53	0.0	-73.69	404.23	10.79	-62.90
COCC(CC1CCOCC1)[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648975	0	55	0.0	-70.50	391.02	6.17	-64.33
CN1C=C(CCC[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C=N1	REAL300018648976	0	47	0.0	-78.53	358.40	7.17	-71.36
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)(CC1)OC2	REAL300018648977	0	51	0.0	-66.51	378.07	10.90	-55.61
CN1CCN(C2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)C=N2)CC1	REAL300018648978	0	56	0.0	-83.71	415.95	6.11	-77.60
O=C([O-])C12CCC(C[NH2+]C3CC=C(C4=CC=C(Cl)C=C4)CC3)(CC1)OC2	REAL300018648979	0	52	0.0	-75.47	401.71	11.30	-64.17
O=C([O-])C12CCC(C[NH2+]CC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)(CC1)OC2	REAL300018648980	0	54	0.0	-78.49	411.66	9.29	-69.20
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648981	0	50	0.0	-86.68	398.43	9.19	-77.49
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=CC(C(F)(F)F)=C3)(CC1)OC2	REAL300018648982	0	54	0.0	-74.81	403.22	11.50	-63.31
CC1CCC2=C(C1)SC(C[NH2+]CC13CCC(C(=O)[O-])(CC1)CO3)=N2	REAL300018648983	0	50	0.0	-72.07	381.90	8.18	-63.89
CCC1=CN=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)S1	REAL300018648984	0	43	0.0	-72.08	340.76	6.55	-65.53
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3N3CCCCC3)(CC1)OC2	REAL300018648985	0	56	0.0	-68.40	406.49	9.87	-58.53
O=C([O-])C12CCC(C[NH2+]C3CCC4COCCC4C3)(CC1)OC2	REAL300018648986	0	52	0.0	-72.68	364.24	7.16	-65.52
CC1(C)CC2(CC([NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)C2)CO1	REAL300018648987	0	52	0.0	-73.52	375.68	7.37	-66.15
CC1CC2(CC([NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)C2)CO1	REAL300018648988	0	49	0.0	-73.59	356.25	6.69	-66.90
O=C([O-])C12CCC(C[NH2+]C3CCOC4=CC=CC=C4C3)(CC1)OC2	REAL300018648989	0	49	0.0	-73.73	357.22	8.09	-65.64
O=C([O-])C12CCC(C[NH2+]C3CCCC4=C(C=CS4)C3)(CC1)OC2	REAL300018648990	0	48	0.0	-73.29	356.61	9.06	-64.23
CN1C=NC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=C21	REAL300018648991	0	47	0.0	-82.39	350.98	9.08	-73.31
COC1=CC=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648992	0	48	0.0	-74.57	356.85	7.75	-66.82
O=C([O-])C12CCC(C[NH2+]CC3=NOC(C4CCC4)=C3)(CC1)OC2	REAL300018648993	0	47	0.0	-76.13	355.98	8.02	-68.11
CC1(C2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=NO2)CC1	REAL300018648994	0	47	0.0	-76.07	360.16	7.98	-68.09
CCC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648995	0	47	0.0	-72.22	346.04	9.11	-63.11
CC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)=C1	REAL300018648996	0	44	0.0	-77.95	340.40	8.56	-69.39
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CC2)CO3)C(C)=C1C	REAL300018648997	0	50	0.0	-72.67	362.13	9.55	-63.12
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CC1)CO2	REAL300018648998	0	53	0.0	-66.66	363.58	9.88	-56.78
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4CCCCCN34)(CC1)OC2	REAL300018648999	0	51	0.0	-79.89	368.63	8.24	-71.65
COC1=CC=C2SC(C[NH2+]CC34CCC(C(=O)[O-])(CC3)CO4)=CC2=C1	REAL300018649000	0	48	0.0	-78.24	379.51	8.66	-69.58
CC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1F	REAL300018650574	0	36	0.0	-89.44	335.90	10.24	-79.20
CC1(C)CCCCC1[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650575	0	42	0.0	-76.91	335.34	9.97	-66.94
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])S2)S1	REAL300018650577	0	35	0.0	-86.75	345.67	10.64	-76.11
CC(C)=CCCC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650578	0	42	0.0	-80.00	357.68	10.60	-69.40
CC1(C)CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC(C)(C)C1	REAL300018650579	0	48	0.0	-80.74	378.84	10.83	-69.91
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650580	0	46	0.0	-84.68	398.05	11.72	-72.96
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(Cl)=C1OC	REAL300018650581	0	41	0.0	-87.88	383.78	9.32	-78.56
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)S2)S1	REAL300018650582	0	40	0.0	-89.12	376.55	12.15	-76.97
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC=CC=C4S3)S2)S1	REAL300018650583	0	36	0.0	-86.78	346.57	11.08	-75.70
CC(C)OC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650584	0	43	0.0	-87.76	378.46	10.39	-77.37
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC=C1F	REAL300018650585	0	36	0.0	-91.54	335.90	10.23	-81.31
CC1CCC(C)C([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650586	0	42	0.0	-78.26	346.20	10.21	-68.05
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C4NC=CC4=CC=C3)S2)S1	REAL300018650587	0	37	0.0	-88.06	340.54	9.54	-78.52
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)S2)S1	REAL300018650588	0	32	0.0	-102.61	329.23	9.34	-93.27
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC=C3N3CCOCC3)S2)S1	REAL300018650589	0	46	0.0	-83.59	393.63	9.12	-74.47
CC1CC(C)CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650590	0	42	0.0	-80.04	349.74	10.15	-69.89
CC(C)CC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650591	0	45	0.0	-84.42	390.32	12.22	-72.20
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=C2)C=C1	REAL300018650592	0	46	0.0	-88.89	404.80	13.62	-75.27
CC1=CC(C)=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650593	0	39	0.0	-84.90	352.00	10.86	-74.04
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1[N+](=O)[O-]	REAL300018650594	0	39	0.0	-104.80	364.70	10.27	-94.53
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)S2)S1	REAL300018650595	0	33	0.0	-91.65	342.64	10.55	-81.10
CC1=CC=CC(C)=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650596	0	39	0.0	-83.91	342.35	10.62	-73.29
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650597	0	46	0.0	-87.57	405.25	13.62	-73.95
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(OC(F)F)=C3)S2)S1	REAL300018650598	0	37	0.0	-90.86	348.44	9.12	-81.74
CCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1OCC	REAL300018650599	0	47	0.0	-92.35	411.64	10.57	-81.78
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC=CS3)S2)S1	REAL300018650600	1	29	0.0	-84.10	293.97	6.68	-77.42
CC(C)C1CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650601	0	45	0.0	-79.91	363.97	10.65	-69.26
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=CN=C3)S2)S1	REAL300018650602	0	31	0.0	-93.62	298.81	7.54	-86.08
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)S2)S1	REAL300018650603	0	36	0.0	-98.96	348.78	8.64	-90.32
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=NC4=CC=CC=C34)S2)S1	REAL300018650604	0	38	0.0	-95.44	345.63	9.80	-85.64
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)S2)S1	REAL300018650605	0	37	0.0	-91.25	355.18	9.33	-81.92
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650606	0	39	0.0	-99.13	369.87	7.06	-92.07
CC(CCOCC1=CC=CC=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650607	0	46	0.0	-82.92	400.17	10.94	-71.98
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)S2)S1	REAL300018650608	0	40	0.0	-87.80	369.64	11.83	-75.97
CC(C)CCCC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650609	0	44	0.0	-78.99	366.80	10.71	-68.28
CCCCC(CC)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650610	0	41	0.0	-76.71	341.91	10.01	-66.70
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C2=CC=CC=C12	REAL300018650611	0	43	0.0	-90.47	378.50	11.02	-79.45
CCC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650612	0	36	0.0	-82.89	342.77	10.22	-72.67
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CCCOC3)S2)S1	REAL300018650613	0	35	0.0	-84.80	316.16	7.36	-77.44
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650614	0	39	0.0	-92.56	355.59	9.88	-82.68
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C4OCCC4=C3)S2)S1	REAL300018650615	0	38	0.0	-90.21	345.07	9.38	-80.83
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC(Br)=C3)S2)S1	REAL300018650616	0	30	0.0	-89.08	320.84	9.22	-79.86
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)S2)S1	REAL300018650617	0	44	0.0	-90.43	383.10	9.44	-80.99
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650618	0	41	0.0	-99.94	382.77	6.25	-93.69
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=CS3)S2)S1	REAL300018650619	0	29	0.0	-87.24	293.93	6.79	-80.45
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C4C=CNC4=CC=C3)S2)S1	REAL300018650620	0	37	0.0	-84.01	340.36	9.55	-74.46
CN1C=NC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650621	0	33	0.0	-90.77	309.33	8.67	-82.10
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C4C=CNC4=C3)S2)S1	REAL300018650622	0	37	0.0	-88.43	340.55	9.56	-78.87
CC1=NN(C)C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650623	0	36	0.0	-93.12	331.84	7.73	-85.39
CC(CC1=CC=CS1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650624	0	36	0.0	-76.80	334.30	10.00	-66.80
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)S2)S1	REAL300018650625	0	36	0.0	-90.37	348.76	8.63	-81.74
CC1=CC(F)=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650626	0	36	0.0	-90.07	330.41	10.23	-79.84
CC1(C)CCC2=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=CC=C2O1	REAL300018650627	0	47	0.0	-88.39	399.80	11.36	-77.03
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650628	0	48	0.0	-80.96	388.30	12.49	-68.47
CN(C)C1=CC=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650629	0	41	0.0	-79.78	360.29	9.58	-70.20
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)S2)S1	REAL300018650630	0	42	0.0	-90.60	378.41	11.18	-79.42
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)S2)S1	REAL300018650631	0	42	0.0	-92.74	378.60	11.19	-81.55
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC=N3)S2)S1	REAL300018650632	1	29	0.0	-82.24	293.79	6.54	-75.70
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)S2)S1	REAL300018650633	0	42	0.0	-93.65	390.51	8.03	-85.62
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)S2)S1	REAL300018650634	0	43	0.0	-88.23	369.08	7.38	-80.85
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)S2)S1	REAL300018650635	0	47	0.0	-84.46	395.89	8.08	-76.38
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)S2)S1	REAL300018650636	0	40	0.0	-94.45	374.42	10.82	-83.63
CC1=NNC(C)=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650637	0	36	0.0	-88.85	329.57	7.06	-81.79
CC(C)(C)N1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650638	0	42	0.0	-87.52	371.94	9.35	-78.17
CN1N=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650639	0	33	0.0	-92.69	309.80	7.11	-85.58
COC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650640	0	44	0.0	-92.60	395.15	8.69	-83.91
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)S2)S1	REAL300018650641	0	43	0.0	-94.88	378.20	9.41	-85.47
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650643	0	42	0.0	-89.41	374.39	9.18	-80.23
COCCOC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650644	0	44	0.0	-87.53	394.17	9.03	-78.50
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1Cl	REAL300018650645	0	37	0.0	-91.86	354.71	9.39	-82.47
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)S2)S1	REAL300018650646	1	38	0.0	-86.34	369.44	8.46	-77.88
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650647	0	45	0.0	-92.03	390.55	11.11	-80.92
COC1=NC=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650648	0	36	0.0	-84.37	335.01	6.30	-78.07
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(Br)C=N3)S2)S1	REAL300018650649	0	32	0.0	-87.14	325.47	8.31	-78.83
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(N4CCOCC4)S3)S2)S1	REAL300018650650	0	42	0.0	-89.37	382.87	6.85	-82.52
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=NC=CC=C34)S2)S1	REAL300018650651	0	38	0.0	-94.89	345.28	9.79	-85.10
CC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650652	0	32	0.0	-86.87	315.88	7.50	-79.37
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=C3OCCO4)S2)S1	REAL300018650653	0	39	0.0	-84.38	352.09	8.75	-75.63
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=C3OCCCO4)S2)S1	REAL300018650654	0	42	0.0	-86.19	370.79	9.52	-76.67
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)S2)S1	REAL300018650655	0	40	0.0	-85.91	369.71	11.84	-74.07
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)S2)S1	REAL300018650656	0	40	0.0	-85.08	365.75	11.76	-73.32
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)S2)S1	REAL300018650657	0	41	0.0	-96.01	378.34	10.82	-85.19
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(N4CCOCC4)N=C3)S2)S1	REAL300018650658	0	44	0.0	-95.95	387.33	7.91	-88.04
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650659	0	45	0.0	-91.13	399.75	11.56	-79.57
CCCOC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650660	0	43	0.0	-86.22	382.04	10.56	-75.66
CC(CN1C=NC=N1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650661	0	35	0.0	-81.05	318.49	9.93	-71.12
C#CCCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650662	0	42	0.0	-88.84	387.82	11.09	-77.75
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)S2)S1	REAL300018650663	0	40	0.0	-87.03	375.23	12.12	-74.91
CC1=C2C=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)C=NC2=NN1	REAL300018650664	0	38	0.0	-102.39	352.25	8.06	-94.33
CC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650665	0	34	0.0	-93.60	320.65	7.52	-86.08
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)S2)S1	REAL300018650666	0	47	0.0	-85.87	403.27	11.73	-74.14
CCC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650667	0	35	0.0	-86.87	337.37	8.25	-78.62
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)S2)S1	REAL300018650668	0	39	0.0	-78.01	353.48	12.64	-65.37
CN1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C2=CC=CN=C2)=N1	REAL300018650669	0	42	0.0	-93.70	383.53	8.94	-84.76
CN1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C2=CC=NC=C2)=N1	REAL300018650670	0	42	0.0	-92.23	383.37	8.95	-83.28
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C4C=CC=CN34)S2)S1	REAL300018650671	0	36	0.0	-94.29	336.02	9.98	-84.31
CN(C)C1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650672	0	37	0.0	-85.89	350.24	8.52	-77.37
CC(C)OC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650673	0	43	0.0	-88.71	378.45	10.38	-78.33
CC(C)C1=NC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650674	1	38	0.0	-81.91	356.95	8.57	-73.34
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC(C4CC4)=N3)S2)S1	REAL300018650675	1	36	0.0	-82.28	345.63	8.76	-73.52
CCC1=NC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650676	1	35	0.0	-81.93	337.23	8.01	-73.92
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650677	0	42	0.0	-86.50	372.56	11.73	-74.77
CC1=CC=CC(CCC(C)[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650678	0	45	0.0	-83.31	387.55	12.33	-70.98
CC1=CC=C(CCC(C)[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650679	0	45	0.0	-83.12	387.55	12.34	-70.78
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC(F)(F)CC3)S2)S1	REAL300018650680	0	36	0.0	-88.09	319.19	9.05	-79.04
CC(C1=CC=CC=C1)N1CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650681	0	48	0.0	-81.83	404.47	10.10	-71.73
O=C([O-])C1=CC2=C(C=C(CNC3CC[NH+](CC4CC4)CC3)S2)S1	REAL300018650682	1	45	0.0	-75.92	374.88	9.78	-66.14
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCN(CC4CC4)CC3)S2)S1	REAL300018650682	1	45	0.0	-80.66	371.87	8.46	-72.20
CC(C)(C)C1=NC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650683	1	41	0.0	-81.68	375.89	9.08	-72.60
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)S2)S1	REAL300018650684	1	36	0.0	-84.34	365.07	9.26	-75.08
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=NC=CN=C4C=C3)S2)S1	REAL300018650685	0	37	0.0	-95.23	345.22	7.95	-87.28
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC=C3OC3CCCC3)S2)S1	REAL300018650686	0	47	0.0	-79.80	402.88	11.82	-67.98
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)S2)S1	REAL300018650687	0	36	0.0	-86.25	352.88	10.55	-75.70
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650688	0	41	0.0	-86.28	376.03	9.33	-76.95
CC(C)C[NH+]1CCC(NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650689	1	47	0.0	-75.11	382.47	9.68	-65.43
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C(C)S1	REAL300018650690	0	36	0.0	-84.65	339.21	10.08	-74.57
CC1=CC=C(C2=CC=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)S2)C=C1	REAL300018650691	0	43	0.0	-86.30	398.43	12.99	-73.31
CC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCC1	REAL300018650692	0	39	0.0	-78.84	327.08	9.58	-69.26
C#CCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650693	0	39	0.0	-90.63	366.32	10.31	-80.32
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)S2)S1	REAL300018650694	0	47	0.0	-85.18	396.22	8.35	-76.83
CC(C)(C)[NH+]1CCC(NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650695	1	47	0.0	-72.00	372.48	8.98	-63.02
COCCCOC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650696	0	47	0.0	-87.80	415.71	9.63	-78.17
COC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC=C1SC	REAL300018650697	0	41	0.0	-92.59	378.10	9.88	-82.71
CCOCC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC=C1OC	REAL300018650698	0	47	0.0	-86.04	412.77	9.75	-76.29
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)S2)S1	REAL300018650699	0	40	0.0	-95.73	368.58	9.47	-86.26
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650700	0	42	0.0	-91.39	387.38	10.50	-80.89
C=CCCC(CC)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650701	0	39	0.0	-77.40	333.22	9.79	-67.61
CCN1C=CN=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650702	1	36	0.0	-85.99	326.06	8.88	-77.11
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650703	0	45	0.0	-78.26	375.53	12.09	-66.17
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)S2)S1	REAL300018650704	1	39	0.0	-91.83	362.09	9.37	-82.46
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)S2)S1	REAL300018650705	0	39	0.0	-87.17	372.34	10.31	-76.86
CCN1N=C(C)C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1C	REAL300018650706	0	42	0.0	-88.28	371.85	9.14	-79.14
C=CCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1Cl	REAL300018650707	0	41	0.0	-92.19	389.47	10.89	-81.30
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)S2)S1	REAL300018650708	0	39	0.0	-88.81	374.21	10.56	-78.25
C=CCC(C)C(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650709	0	39	0.0	-78.98	332.89	9.57	-69.41
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650710	0	46	0.0	-83.46	396.15	10.52	-72.94
CC(C)CCC1CCCC1[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650711	0	48	0.0	-80.07	391.02	11.74	-68.33
CCCCC1CCCC1[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650712	0	45	0.0	-79.71	374.62	11.26	-68.45
COC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C2OC(C)CC2=C1	REAL300018650713	0	45	0.0	-83.56	395.61	9.41	-74.15
CN1N=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C2=CC=CC=C21	REAL300018650714	0	39	0.0	-87.56	359.13	9.45	-78.11
CN1C=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650715	1	33	0.0	-82.96	312.05	7.25	-75.71
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C4C=CC=CC4=NN3)S2)S1	REAL300018650716	0	36	0.0	-99.05	336.07	8.15	-90.90
CN(C)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1F	REAL300018650717	0	41	0.0	-92.36	370.09	9.08	-83.28
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC=CN3CC(F)(F)F)S2)S1	REAL300018650718	1	36	0.0	-88.60	346.47	9.11	-79.49
CC1CCCCC1[NH+]1CCC(NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650719	1	54	0.0	-74.32	412.05	11.08	-63.24
CC1(C)CC2=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=CC=C2O1	REAL300018650720	0	44	0.0	-90.05	386.59	10.78	-79.27
CC1=NSC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650721	0	32	0.0	-90.58	315.74	7.95	-82.63
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)S2)S1	REAL300018650722	1	39	0.0	-87.16	365.84	7.97	-79.19
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)S2)S1	REAL300018650723	1	36	0.0	-84.55	365.66	9.36	-75.19
CC(CC1=CSC=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650724	0	36	0.0	-78.81	334.20	9.81	-69.00
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3CCCCCCC3)S2)S1	REAL300018650725	0	45	0.0	-83.51	352.69	10.66	-72.85
CC1=CSC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650726	1	32	0.0	-84.23	315.77	7.27	-76.96
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650727	0	43	0.0	-89.19	386.93	10.06	-79.13
CC1=NC=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650728	0	35	0.0	-89.11	319.08	8.34	-80.77
CC(CSC(C)(C)C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650729	0	42	0.0	-75.96	365.05	10.31	-65.65
CN(C)C1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)N1C	REAL300018650730	0	41	0.0	-91.54	367.82	8.61	-82.93
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)S2)S1	REAL300018650731	0	40	0.0	-91.16	368.10	9.84	-81.32
CC(C)OCC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650732	0	39	0.0	-78.35	340.27	8.01	-70.34
CC(C)COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650733	0	46	0.0	-87.60	402.14	11.26	-76.34
COCCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650734	0	44	0.0	-89.90	394.16	9.03	-80.87
COCC(CC(C)C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650735	0	42	0.0	-77.66	354.87	8.38	-69.28
CC1(C)CCCC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650736	0	45	0.0	-83.60	364.16	10.77	-72.83
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650737	0	44	0.0	-83.40	375.50	10.55	-72.85
CC1(C)CCCC1[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650738	0	39	0.0	-77.43	325.85	9.87	-67.56
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C4CCCC4=C3)S2)S1	REAL300018650739	0	40	0.0	-85.31	354.69	11.45	-73.86
CC1=CC=CC=C1CC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650740	0	42	0.0	-79.21	359.98	11.32	-67.89
CC1=CC=CC(CC(C)[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650741	0	42	0.0	-78.05	365.39	11.55	-66.50
COC1=CC2=C(C=C1C[NH2+]CC1=CC3=C(C=C(C(=O)[O-])S3)S1)OCO2	REAL300018650742	0	40	0.0	-86.96	363.34	7.56	-79.40
COC1=CC(Cl)=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1OC	REAL300018650743	0	41	0.0	-85.98	379.75	9.21	-76.77
COC1=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)SC=C1	REAL300018650744	0	34	0.0	-77.83	329.31	7.95	-69.88
CC(C)COC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650745	0	46	0.0	-85.92	402.14	11.26	-74.66
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)S2)S1	REAL300018650746	0	39	0.0	-94.34	355.70	11.70	-82.64
O=C([O-])C1=CC2=C(C=C(C[NH2+]CCC3CCOCC3)S2)S1	REAL300018650747	0	40	0.0	-86.29	342.61	8.09	-78.20
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3CCSCC3)S2)S1	REAL300018650748	0	37	0.0	-88.27	329.77	9.60	-78.67
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650749	0	46	0.0	-79.90	400.73	11.32	-68.58
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3CCCCCC3)S2)S1	REAL300018650750	0	42	0.0	-82.91	341.58	10.31	-72.60
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=C2O1	REAL300018650751	0	44	0.0	-80.29	386.49	10.75	-69.54
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C(Cl)C=NC=C3Cl)S2)S1	REAL300018650752	1	32	0.0	-80.28	332.64	8.58	-71.70
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC4=C(CCCC4)S3)S2)S1	REAL300018650753	0	39	0.0	-83.68	357.70	9.28	-74.40
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=NC=C3Br)S2)S1	REAL300018650754	0	32	0.0	-85.08	319.99	8.35	-76.73
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=NC=C3Cl)S2)S1	REAL300018650755	0	32	0.0	-85.90	316.39	8.25	-77.65
CC(C)(C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)N1CCOCC1	REAL300018650756	0	45	0.0	-82.97	362.39	6.56	-76.41
CCC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCC1	REAL300018650757	0	42	0.0	-78.10	341.49	10.25	-67.85
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=NN1C	REAL300018650758	1	36	0.0	-82.65	331.54	7.71	-74.94
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650759	0	39	0.0	-82.45	364.79	11.34	-71.11
CN1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C2=CC=CC=C2)=N1	REAL300018650760	0	43	0.0	-88.22	388.39	10.72	-77.50
CCC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650761	0	37	0.0	-93.58	342.14	8.12	-85.46
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)S2)S1	REAL300018650762	0	40	0.0	-89.18	367.54	10.73	-78.45
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=NO1	REAL300018650763	1	32	0.0	-84.64	306.11	7.68	-76.96
CCN1C=NC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650764	0	36	0.0	-88.43	325.96	9.68	-78.75
CC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)N1C	REAL300018650765	0	36	0.0	-90.94	328.86	8.46	-82.48
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC=NC=C4C=C3)S2)S1	REAL300018650766	0	38	0.0	-94.13	350.18	10.02	-84.11
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=NNC=C43)S2)S1	REAL300018650767	0	36	0.0	-97.45	335.30	8.23	-89.22
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=CNN=C43)S2)S1	REAL300018650768	0	36	0.0	-81.22	335.46	8.22	-73.00
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C4CCCN34)S2)S1	REAL300018650769	0	37	0.0	-90.13	335.19	9.12	-81.01
CS(=O)(=O)N1CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650770	0	41	0.0	-95.56	362.92	5.38	-90.18
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(F)C=N3)S2)S1	REAL300018650771	0	32	0.0	-87.84	310.56	7.79	-80.05
CC1=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)SC=N1	REAL300018650772	0	32	0.0	-87.27	313.09	7.29	-79.98
COC1=CC(F)=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650773	0	37	0.0	-90.57	345.10	8.90	-81.67
CC(CC1=CN=CC=N1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650774	0	37	0.0	-79.97	335.02	7.15	-72.82
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650775	0	43	0.0	-93.05	380.81	9.49	-83.56
CC1=NOC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650776	0	32	0.0	-92.56	306.11	7.71	-84.85
CC1=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=CO1	REAL300018650777	0	33	0.0	-84.41	309.10	8.33	-76.08
CC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(Cl)=C1	REAL300018650778	0	36	0.0	-81.06	343.29	10.64	-70.42
COC1=CC=C(OC(F)F)C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650779	0	41	0.0	-86.74	376.54	8.46	-78.28
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)S2)S1	REAL300018650780	0	35	0.0	-107.00	349.85	10.58	-96.42
O=C([O-])C1=CC2=C(C=C(C[NH2+]CCC3=CC=CC(Cl)=C3)S2)S1	REAL300018650781	0	36	0.0	-87.61	347.42	10.83	-76.78
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCC3C3=CC=CC=C3)S2)S1	REAL300018650782	0	43	0.0	-80.91	367.39	11.83	-69.08
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)S2)S1	REAL300018650783	0	38	0.0	-81.58	365.65	10.58	-71.00
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)S2)S1	REAL300018650784	0	38	0.0	-74.35	362.92	10.47	-63.88
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)S2)S1	REAL300018650785	0	38	0.0	-85.28	354.55	10.11	-75.17
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)S2)S1	REAL300018650786	0	38	0.0	-82.81	355.34	10.14	-72.67
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)S2)S1	REAL300018650787	0	38	0.0	-84.47	363.41	10.50	-73.97
CS(=O)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650788	0	38	0.0	-98.90	361.39	8.13	-90.77
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)S2)S1	REAL300018650789	0	35	0.0	-97.73	350.10	10.65	-87.08
CC(C)CCN1C=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650790	0	46	0.0	-85.81	396.18	11.93	-73.88
CCC1=CC=C(C2=CC=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)O2)C=C1	REAL300018650791	0	46	0.0	-87.26	412.31	12.86	-74.40
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(OC(F)F)=C1	REAL300018650792	0	41	0.0	-90.06	376.60	8.46	-81.60
CCC1CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CCO1	REAL300018650793	0	40	0.0	-83.01	341.17	8.13	-74.88
CC(C)C1CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CCO1	REAL300018650794	0	43	0.0	-82.76	356.90	8.73	-74.03
CCN1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C2=CC=CC=C2)=N1	REAL300018650795	0	46	0.0	-88.20	410.12	11.58	-76.62
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C4CCCCC4=C3)S2)S1	REAL300018650796	0	43	0.0	-84.87	371.88	12.03	-72.84
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC(C4CCCCC4)CC3)S2)S1	REAL300018650797	0	52	0.0	-79.83	399.15	12.74	-67.09
CC(C)CC(C)CC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650798	0	47	0.0	-79.08	380.64	11.11	-67.97
CC1=CC=C(C(C)C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650799	0	42	0.0	-84.30	366.60	11.53	-72.77
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1C(C)(C)C	REAL300018650800	0	49	0.0	-87.30	409.85	11.52	-75.78
COCC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300018650801	0	37	0.0	-86.95	345.51	7.56	-79.39
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650802	0	46	0.0	-85.57	389.58	10.67	-74.90
CC(C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCCC1	REAL300018650803	0	45	0.0	-82.44	365.03	10.99	-71.45
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650804	0	38	0.0	-100.01	363.41	4.49	-95.52
CCC(CC)(CC)C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650805	0	44	0.0	-79.97	347.71	10.03	-69.94
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)S2)S1	REAL300018650807	0	40	0.0	-83.70	360.58	11.52	-72.18
CC1=CNC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650808	1	33	0.0	-87.59	310.53	6.86	-80.73
CCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C)=C1	REAL300018650809	0	43	0.0	-87.26	375.36	10.39	-76.87
COC1=CC(C)=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650810	0	40	0.0	-80.04	358.73	9.57	-70.47
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3CCC4=CC=CC=C4C3)S2)S1	REAL300018650811	0	43	0.0	-88.67	368.71	11.99	-76.68
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650812	0	35	0.0	-90.42	350.79	8.65	-81.77
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)S2)S1	REAL300018650813	0	43	0.0	-87.96	373.74	11.91	-76.05
CC1=NC(C)=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300018650814	0	35	0.0	-89.14	327.24	5.68	-83.46
COCC1=CSC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650815	0	37	0.0	-85.00	354.70	8.37	-76.63
CCCC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650816	0	39	0.0	-82.88	364.27	11.00	-71.88
CC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)N=C1	REAL300018650817	0	35	0.0	-82.59	325.60	8.37	-74.22
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=NS3)S2)S1	REAL300018650818	0	29	0.0	-90.33	293.98	7.36	-82.97
CC(C)N1C=CN=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650819	1	39	0.0	-86.36	350.04	9.35	-77.01
CC1=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=CC=C1[N+](=O)[O-]	REAL300018650820	0	38	0.0	-100.57	346.83	10.67	-89.90
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC=C1Br	REAL300018650821	0	36	0.0	-90.18	348.67	10.72	-79.46
COC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC=C1Cl	REAL300018650822	0	37	0.0	-93.79	354.71	9.38	-84.41
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650823	0	33	0.0	-84.82	321.04	9.29	-75.53
COC1=CC=CC(C)=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650824	0	40	0.0	-79.56	353.48	9.46	-70.10
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C4OC=CC4=CC=C3)S2)S1	REAL300018650825	0	36	0.0	-84.76	336.52	9.86	-74.90
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)S2)S1	REAL300018650826	1	40	0.0	-86.06	368.07	10.66	-75.40
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(C(F)(F)F)S3)S2)S1	REAL300018650827	0	32	0.0	-96.06	335.25	7.95	-88.11
CC1CSCC1[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650828	0	34	0.0	-83.94	310.48	8.69	-75.25
CCC1=NN(C)C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650829	0	39	0.0	-89.43	353.13	8.67	-80.76
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NN4CCCCC4=C3)S2)S1	REAL300018650830	1	40	0.0	-82.38	353.78	8.87	-73.51
CCC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650831	0	39	0.0	-84.88	352.07	10.97	-73.91
COC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650832	0	33	0.0	-89.44	326.69	5.14	-84.30
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)S2)S1	REAL300018650833	0	37	0.0	-89.90	347.69	11.13	-78.77
CC1=NC=CN=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650834	0	34	0.0	-87.53	316.15	6.34	-81.19
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4(CC4)CC3)S2)S1	REAL300018650835	0	40	0.0	-81.09	339.48	10.23	-70.86
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=C(C=N3)OCCO4)S2)S1	REAL300018650836	0	38	0.0	-86.49	348.61	6.90	-79.59
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)S2)S1	REAL300018650837	0	36	0.0	-93.07	352.74	10.48	-82.59
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3C[C@@H]4CC[C@@H](C4)C3)S2)S1	REAL300018650838	0	40	0.0	-79.91	325.59	9.70	-70.21
CC1=CC=CN2C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=CN=C12	REAL300018650839	0	39	0.0	-93.95	357.47	10.57	-83.38
CCN1N=CN=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650840	1	35	0.0	-93.37	322.61	8.71	-84.66
CN1C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CN=C1Cl	REAL300018650841	0	33	0.0	-95.20	325.52	8.40	-86.80
CN1C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CN=C1Br	REAL300018650842	0	33	0.0	-95.11	329.81	8.43	-86.68
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)S2)S1	REAL300018650843	1	39	0.0	-93.90	368.50	9.43	-84.47
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(C(F)(F)F)=NN3)S2)S1	REAL300018650844	0	33	0.0	-99.30	330.24	6.88	-92.42
CC1=CN=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)N1C	REAL300018650845	1	36	0.0	-87.20	329.49	8.39	-78.81
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)S2)S1	REAL300018650846	0	37	0.0	-93.49	347.57	9.55	-83.94
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)S2)S1	REAL300018650847	0	37	0.0	-94.62	347.48	9.55	-85.07
CCOC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650848	0	39	0.0	-86.29	358.21	7.13	-79.16
CC1=C(Cl)C=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650849	0	36	0.0	-87.93	338.04	10.61	-77.32
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC=NC=C4S3)S2)S1	REAL300018650850	0	35	0.0	-92.20	341.31	9.29	-82.91
CC1=CC=CC2=NC=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)N21	REAL300018650851	0	39	0.0	-92.41	346.53	10.37	-82.04
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650852	0	45	0.0	-88.02	393.24	10.27	-77.75
CCC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CC1(C)C	REAL300018650853	0	42	0.0	-76.85	348.87	10.24	-66.61
C=CCCCCCC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650854	0	45	0.0	-79.23	383.54	11.54	-67.69
C=CCCCCC(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650855	0	42	0.0	-79.53	362.04	10.76	-68.77
CC1=CC(Cl)=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650856	0	36	0.0	-88.38	347.32	10.70	-77.68
COCC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650857	0	40	0.0	-87.43	364.24	9.27	-78.16
COCC(CC(C)(C)C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650858	0	45	0.0	-74.31	368.36	9.05	-65.26
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)S2)S1	REAL300018650859	0	38	0.0	-100.29	356.60	9.97	-90.32
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC2=CC=CN=C12	REAL300018650860	0	41	0.0	-93.95	370.43	10.73	-83.22
CC(C)C1CCCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650861	0	45	0.0	-79.43	357.52	10.86	-68.57
CC1=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)SN=N1	REAL300018650862	0	31	0.0	-96.47	308.34	6.69	-89.78
CCCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1C	REAL300018650863	0	46	0.0	-87.78	402.11	11.31	-76.47
COC1=C(C)C=NC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1C	REAL300018650864	0	42	0.0	-84.59	371.64	8.34	-76.25
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650865	0	43	0.0	-84.67	383.09	11.17	-73.50
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCCC34CCCC4)S2)S1	REAL300018650866	0	46	0.0	-77.99	359.06	11.23	-66.76
CCC1CCCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650867	0	42	0.0	-79.07	340.70	10.38	-68.69
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650868	0	36	0.0	-97.47	362.27	6.22	-91.25
NC1=C(F)C=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650869	0	35	0.0	-88.80	325.14	7.67	-81.13
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(C(F)F)C=C3)S2)S1	REAL300018650870	0	36	0.0	-91.35	343.34	10.47	-80.88
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)S2)S1	REAL300018650871	0	35	0.0	-94.47	348.60	7.51	-86.96
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=C3CCC4)S2)S1	REAL300018650872	0	40	0.0	-85.12	353.39	11.36	-73.76
CN1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C([N+](=O)[O-])=N1	REAL300018650873	0	35	0.0	-97.80	337.35	8.92	-88.88
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC(Cl)=CS3)S2)S1	REAL300018650874	1	29	0.0	-88.54	310.95	7.10	-81.44
COC1=NSC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650875	0	33	0.0	-92.51	326.49	5.46	-87.05
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC=CC4=CC=CC=C43)S2)S1	REAL300018650876	0	38	0.0	-86.79	346.91	9.82	-76.97
COC1=CC=CC(Cl)=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650877	0	37	0.0	-75.14	351.39	9.31	-65.83
CC1=NC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)N1C1=CC=CC=C1	REAL300018650878	0	43	0.0	-84.23	388.21	11.80	-72.43
CC1=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=NN1C	REAL300018650879	0	36	0.0	-87.85	330.54	7.77	-80.08
CCCN1N=C(C)C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1C	REAL300018650880	0	45	0.0	-88.44	394.37	9.93	-78.51
CCN(CC)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1F	REAL300018650881	0	47	0.0	-91.54	408.46	10.59	-80.95
CCOC1CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C12CCCC2	REAL300018650882	0	47	0.0	-81.76	390.40	10.61	-71.15
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650883	0	44	0.0	-87.23	384.93	12.09	-75.14
CCC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCC1	REAL300018650884	0	39	0.0	-77.57	324.97	9.62	-67.95
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC4CCC(C4)C3)S2)S1	REAL300018650885	0	40	0.0	-79.82	325.51	9.72	-70.10
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCC34CCCC4)S2)S1	REAL300018650886	0	43	0.0	-78.53	346.89	11.00	-67.53
CCCC(C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1=CC=CC=C1	REAL300018650887	0	45	0.0	-83.67	386.22	12.15	-71.52
CC1CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC(C2=CC=CC=C2)C1	REAL300018650888	0	49	0.0	-83.98	406.16	12.99	-70.99
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C(C4CC4)O3)S2)S1	REAL300018650889	0	36	0.0	-88.85	337.90	6.84	-82.01
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650890	0	43	0.0	-82.68	383.49	10.52	-72.16
CC(C)(C)C1CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650891	0	42	0.0	-80.57	349.85	10.06	-70.51
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)S2)S1	REAL300018650892	0	35	0.0	-89.02	347.26	9.06	-79.96
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)S2)S1	REAL300018650893	0	37	0.0	-89.27	353.47	9.25	-80.02
COC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC2=CC=CC=C21	REAL300018650894	0	43	0.0	-91.25	383.65	11.14	-80.11
CCOC1=CN=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650895	0	39	0.0	-90.70	355.47	7.94	-82.76
CCOC1=CC(F)=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650896	0	40	0.0	-90.30	366.95	9.83	-80.47
COC1=CC=C(C(C)C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650897	0	43	0.0	-87.26	374.68	10.14	-77.12
CN1N=C(C2CC2)C=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650898	0	40	0.0	-93.89	361.51	9.19	-84.70
O=C([O-])C1=CC2=C(C=C(CNC3CC[N@@H+]4CCCC4C3)S2)S1	REAL300018650899	1	42	0.0	-70.44	346.66	9.07	-61.37
O=C([O-])C1=CC2=C(C=C(CNC3CC[N@H+]4CCCC4C3)S2)S1	REAL300018650899	1	42	0.0	-72.63	343.45	8.94	-63.69
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4(CCCCC4)CC3)S2)S1	REAL300018650900	0	49	0.0	-81.48	376.64	11.40	-70.08
CC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C(C)C1=CC=CC=C1	REAL300018650901	0	42	0.0	-81.04	359.71	11.20	-69.84
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)S2)S1	REAL300018650902	0	41	0.0	-91.47	362.60	10.64	-80.83
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650903	0	48	0.0	-82.35	401.52	10.13	-72.22
COC1=CC=CC2=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)C=CC=C12	REAL300018650904	0	43	0.0	-90.66	378.52	11.02	-79.64
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=NN3CC3CC3)S2)S1	REAL300018650905	0	40	0.0	-90.65	358.70	9.59	-81.06
CC(CCC1=CC=CN=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650906	0	41	0.0	-87.02	360.98	9.88	-77.14
CC(C)C1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650907	0	42	0.0	-84.84	369.40	11.46	-73.38
CN1N=CN=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650908	1	32	0.0	-93.84	305.33	7.80	-86.04
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)O1	REAL300018650909	1	35	0.0	-98.69	346.54	2.68	-96.01
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)S2)S1	REAL300018650910	0	44	0.0	-87.34	387.99	12.57	-74.77
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4(CCOCC4)CC3)S2)S1	REAL300018650911	0	47	0.0	-84.76	368.18	9.06	-75.70
COC1=CN=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1C	REAL300018650912	0	39	0.0	-90.06	347.72	7.70	-82.36
NC1=C(Cl)C=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650913	0	35	0.0	-87.53	334.06	8.15	-79.38
CCC1=CNC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650914	1	36	0.0	-87.44	331.96	7.60	-79.84
O=C([O-])C1=CC2=C(C=C(C[NH2+]CCC3=CC=C(F)C=C3Cl)S2)S1	REAL300018650915	0	36	0.0	-87.27	350.86	10.80	-76.47
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CN=CC=C4O3)S2)S1	REAL300018650916	0	35	0.0	-92.94	331.79	8.33	-84.61
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(C(F)(F)F)S3)S2)S1	REAL300018650917	0	33	0.0	-91.53	340.05	9.84	-81.69
CC1=C2C=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)NC2=CC=C1	REAL300018650918	0	40	0.0	-91.17	362.02	10.12	-81.05
CCOC1CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650919	0	43	0.0	-79.81	360.31	9.04	-70.77
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CSC(C(F)(F)F)=C3)S2)S1	REAL300018650920	0	33	0.0	-92.37	339.80	9.68	-82.69
CCCOC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C)=C1	REAL300018650921	0	46	0.0	-87.06	396.85	11.19	-75.87
CC1=C(C)NC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=N1	REAL300018650922	1	36	0.0	-87.13	330.28	7.39	-79.74
CC1=CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650923	0	37	0.0	-80.76	320.91	9.49	-71.27
COC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1OC1CC1	REAL300018650924	0	45	0.0	-94.30	398.96	10.40	-83.90
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4(CCCC4)CC3)S2)S1	REAL300018650925	0	46	0.0	-81.13	366.00	11.09	-70.04
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(C(F)F)N=C3)S2)S1	REAL300018650926	0	35	0.0	-95.18	338.60	8.61	-86.57
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4=CC=CC=C4CC3)S2)S1	REAL300018650927	0	43	0.0	-84.55	360.39	11.53	-73.02
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC=C(Br)S3)S2)S1	REAL300018650928	1	29	0.0	-87.32	315.66	7.41	-79.91
CCC1(C)CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650929	0	45	0.0	-80.81	356.26	10.29	-70.52
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCC4=CC=CC=C4C3)S2)S1	REAL300018650930	0	43	0.0	-83.44	360.47	11.53	-71.91
CN1C=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C(F)F)=N1	REAL300018650931	0	36	0.0	-87.98	339.41	8.20	-79.78
CC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCCCC1	REAL300018650932	0	45	0.0	-79.87	352.31	10.65	-69.22
CC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018650933	0	45	0.0	-81.02	394.62	11.91	-69.11
CCC1(CC)CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650934	0	48	0.0	-81.04	370.83	10.80	-70.24
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC4=C3CCOC4)S2)S1	REAL300018650935	0	41	0.0	-88.07	356.01	9.50	-78.57
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3CC3C3=CC=C(F)C=C3)S2)S1	REAL300018650936	0	40	0.0	-89.45	364.77	11.73	-77.72
CC(CC1=COC2=CC=CC=C12)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650937	0	42	0.0	-83.32	372.83	11.23	-72.09
NS(=O)(=O)C1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650938	0	38	0.0	-97.95	363.41	4.48	-93.47
CCCN1N=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650939	0	39	0.0	-91.29	348.39	8.83	-82.46
CC1=CC=C2C=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)NC2=C1	REAL300018650940	0	40	0.0	-90.78	362.44	10.14	-80.64
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=C4CCCN4N=C3)S2)S1	REAL300018650941	0	37	0.0	-88.58	335.66	8.14	-80.44
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NN4CCCC4=C3)S2)S1	REAL300018650942	1	37	0.0	-83.49	335.71	8.05	-75.44
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NC=C(C(F)(F)F)S3)S2)S1	REAL300018650943	1	32	0.0	-90.66	334.53	7.85	-82.81
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)S2)S1	REAL300018650944	0	37	0.0	-88.16	353.40	9.27	-78.89
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650945	0	41	0.0	-98.78	368.43	11.19	-87.59
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)S2)S1	REAL300018650946	0	49	0.0	-83.25	397.51	12.80	-70.45
CC(C)C1CCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C1	REAL300018650947	0	42	0.0	-80.17	351.04	10.33	-69.84
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC=CN=C4O3)S2)S1	REAL300018650948	0	35	0.0	-93.25	331.83	7.01	-86.24
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)S2)S1	REAL300018650949	0	43	0.0	-84.35	384.21	12.35	-72.00
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CC=C1N1C=NC=N1	REAL300018650950	0	42	0.0	-97.08	378.11	12.99	-84.09
CC1CCCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650951	0	42	0.0	-79.53	339.80	9.93	-69.60
CCC1CCCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650952	0	45	0.0	-79.51	357.69	10.57	-68.94
CC1(C)CCCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650953	0	45	0.0	-81.35	348.93	10.11	-71.24
CC(C)(C)C1CCCC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC1	REAL300018650954	0	51	0.0	-80.77	388.53	11.41	-69.36
CC1CC([NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)CCN1C	REAL300018650955	0	41	0.0	-80.61	340.91	6.98	-73.63
CC1CC(NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC[N@@H+]1C	REAL300018650955	1	41	0.0	-75.24	342.45	8.10	-67.14
CC1CC(NCC2=CC3=C(C=C(C(=O)[O-])S3)S2)CC[N@H+]1C	REAL300018650955	1	41	0.0	-75.79	335.17	7.69	-68.10
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)S2)S1	REAL300018650956	0	36	0.0	-91.99	343.48	10.13	-81.86
CC([NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1)C1CCCO1	REAL300018650957	0	37	0.0	-77.36	318.75	7.34	-70.02
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)S2)S1	REAL300018650958	0	40	0.0	-93.02	373.55	10.08	-82.94
COCC1=CC=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650959	0	40	0.0	-86.95	364.24	9.26	-77.69
CN(C)CC1=NC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=CS1	REAL300018650960	1	40	0.0	-82.78	371.74	6.22	-76.56
CC1=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C(OC(F)F)C=C1C	REAL300018650961	0	43	0.0	-85.81	385.41	10.38	-75.43
CC1=CC=C(CC[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1	REAL300018650962	0	39	0.0	-84.82	352.09	11.00	-73.82
CCCCC(C)C(C)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650963	0	44	0.0	-78.03	362.61	10.56	-67.47
COC1=CC(C)=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=C1OC	REAL300018650964	0	44	0.0	-91.63	383.27	9.28	-82.35
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC=C3C3CC3)S2)S1	REAL300018650965	0	40	0.0	-84.13	352.17	11.54	-72.59
O=C([O-])C1=CC2=C(C=C(C[NH2+]CCC3=CC=C(F)C=C3F)S2)S1	REAL300018650966	0	36	0.0	-87.96	342.56	10.42	-77.54
CC1=CC(C)=CC(CC[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650967	0	42	0.0	-85.05	373.50	11.64	-73.41
COC1=CC=C(N2C=C(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)C=N2)C=C1	REAL300018650968	0	44	0.0	-94.19	397.50	10.05	-84.14
CC(CCC1=CSC=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650969	0	39	0.0	-83.42	356.13	10.60	-72.82
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CNN=C3C3=CSC=C3)S2)S1	REAL300018650970	0	37	0.0	-89.02	356.12	8.39	-80.63
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)S2)S1	REAL300018650971	0	39	0.0	-94.50	365.37	7.78	-86.72
CC(CC1=CN(C)N=C1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650972	0	39	0.0	-81.69	347.28	8.60	-73.09
CN1N=CC2=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=CN=C21	REAL300018650973	0	38	0.0	-99.02	353.49	8.67	-90.35
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650974	0	42	0.0	-85.25	378.01	11.78	-73.47
COCC(CC1CCOCC1)[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650975	0	47	0.0	-82.79	387.62	7.89	-74.90
CN1C=C(CCC[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C=N1	REAL300018650976	0	39	0.0	-89.41	355.00	8.88	-80.53
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)S2)S1	REAL300018650977	0	43	0.0	-79.55	381.01	12.24	-67.31
CC1CCC2=C(C1)SC(C[NH2+]CC1=CC3=C(C=C(C(=O)[O-])S3)S1)=N2	REAL300018650978	0	42	0.0	-83.60	378.50	9.89	-73.71
CCC1=CN=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)S1	REAL300018650979	1	35	0.0	-83.57	337.37	8.26	-75.31
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=C(F)N=C3)S2)S1	REAL300018650980	0	32	0.0	-96.94	310.44	7.69	-89.25
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC=CC=C3N3CCCCC3)S2)S1	REAL300018650981	0	48	0.0	-80.34	402.99	11.60	-68.74
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCC4COCCC4C3)S2)S1	REAL300018650982	0	44	0.0	-83.95	360.83	8.88	-75.07
CC1(C)CC2(CC([NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)C2)CO1	REAL300018650983	0	44	0.0	-84.88	373.25	9.10	-75.78
CC1CC2(CC([NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)C2)CO1	REAL300018650984	0	41	0.0	-85.19	352.31	8.40	-76.79
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCOC4=CC=CC=C4C3)S2)S1	REAL300018650985	0	41	0.0	-84.95	353.79	9.78	-75.17
O=C([O-])C1=CC2=C(C=C(C[NH2+]C3CCCC4=C(C=CS4)C3)S2)S1	REAL300018650986	0	40	0.0	-84.08	353.07	10.73	-73.35
CN1C=NC2=CC=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=C21	REAL300018650987	0	39	0.0	-94.06	347.60	10.80	-83.26
COC1=CC=C(C)C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650988	0	40	0.0	-85.11	353.50	9.45	-75.66
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=NOC(C4CCC4)=C3)S2)S1	REAL300018650989	1	39	0.0	-84.86	354.33	9.78	-75.08
CC1(C2=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=NO2)CC1	REAL300018650990	1	39	0.0	-85.19	356.76	9.69	-75.50
CCC1=CC=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650991	0	39	0.0	-83.52	342.74	10.82	-72.70
CC1=CC(F)=CC(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)=C1	REAL300018650992	0	36	0.0	-89.57	337.00	10.27	-79.30
CC1=CC=C(C[NH2+]CC2=CC3=C(C=C(C(=O)[O-])S3)S2)C(C)=C1C	REAL300018650993	0	42	0.0	-83.57	358.73	11.26	-72.31
CC(C)(C)C1=CC=CC=C1C[NH2+]CC1=CC2=C(C=C(C(=O)[O-])S2)S1	REAL300018650994	0	45	0.0	-78.52	363.51	11.89	-66.63
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CN=C4CCCCCN34)S2)S1	REAL300018650995	0	43	0.0	-91.00	365.25	9.93	-81.07
COC1=CC=C2SC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=CC2=C1	REAL300018650996	0	40	0.0	-88.69	376.11	10.37	-78.32
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CON=C3C3CC3)S2)S1	REAL300018650997	0	36	0.0	-93.49	337.32	9.15	-84.34
O=C([O-])C1=CC2=C(C=C(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)S2)S1	REAL300018650998	0	39	0.0	-96.33	364.15	10.70	-85.63
CCN1CCC2=CC(C[NH2+]CC3=CC4=C(C=C(C(=O)[O-])S4)S3)=CC=C21	REAL300018650999	0	45	0.0	-87.21	388.49	10.16	-77.05
CC1(C)CC2(CO1)CCC([NH2+]CC1=CC3=C(C=C(C(=O)[O-])S3)S1)CC2	REAL300018651000	0	50	0.0	-84.44	396.58	9.87	-74.57
O=C([O-])C1(C2=CC=CC(NCC3=CC=C(N4CCCC4)[NH+]=C3)=C2)CCC1	REAL300018654572	1	51	0.0	-63.72	394.01	10.09	-53.63
C[NH+]1CCN(C2=CC=C(CNC3=CC=CC(C4(C(=O)[O-])CCC4)=C3)C=C2)CC1	REAL300018654584	0	57	0.0	-75.60	429.32	11.12	-64.48
O=C([O-])C1(C2=CC=CC(NC3CC[NH+](CC4=CC=C(Cl)C=C4)CC3)=C2)CCC1	REAL300018654588	0	55	0.0	-81.18	430.19	13.55	-67.63
O=C([O-])C1(C2=CC=CC(NC3CC[NH+](CC4=CC=CC=C4Cl)CC3)=C2)CCC1	REAL300018654589	0	55	0.0	-73.37	426.81	13.56	-59.81
O=C([O-])C1(C2=CC=CC(NC3CC[NH+](CC4=CC=CC=N4)CC3)=C2)CCC1	REAL300018654590	0	54	0.0	-76.64	409.26	11.20	-65.44
O=C([O-])C1(C2=CC=CC(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)=C2)CCC1	REAL300018654595	0	59	0.0	-74.17	449.00	13.00	-61.17
C[NH+](C)CCOC1=CC=C(CNC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C=C1	REAL300018654603	0	55	0.0	-72.63	425.44	11.71	-60.92
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C1	REAL300018654648	0	55	0.0	-73.36	414.07	13.08	-60.28
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)C1	REAL300018654648	1	55	0.0	-69.89	411.14	13.05	-56.84
O=C([O-])C1(C2=CC=CC(NC3CC[NH+](CC4CC4)CC3)=C2)CCC1	REAL300018654649	0	52	0.0	-73.19	386.15	11.66	-61.53
CC(C)C[NH+]1CCC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC1	REAL300018654658	0	54	0.0	-72.36	393.63	11.55	-60.81
O=C([O-])C1(C2=CC=CC(NC3CC[NH+](CC4=CC=NC=C4)CC3)=C2)CCC1	REAL300018654665	0	54	0.0	-82.21	408.13	11.21	-71.00
CC(C)(C)[NH+]1CCC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC1	REAL300018654666	0	54	0.0	-69.41	383.78	10.86	-58.55
O=C([O-])C1(C2=CC=CC(NC3CC[NH+](CCN4CCOCC4)CC3)=C2)CCC1	REAL300018654672	0	61	0.0	-79.54	442.69	8.53	-71.01
CC1CCCCC1[NH+]1CCC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC1	REAL300018654692	0	61	0.0	-71.71	423.58	12.97	-58.74
CC(C)(CNC1=CC=CC(C2(C(=O)[O-])CCC2)=C1)[NH+]1CCOCC1	REAL300018654732	0	52	0.0	-63.79	372.78	8.83	-54.96
CC1CC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018654840	0	58	0.0	-73.51	430.17	13.51	-60.00
CC1CC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018654840	1	58	0.0	-73.92	430.62	13.53	-60.39
O=C([O-])C1(C2=CC=CC(NC3CC[N@@H+]4CCCC4C3)=C2)CCC1	REAL300018654871	0	49	0.0	-69.23	356.70	10.48	-58.75
O=C([O-])C1(C2=CC=CC(NC3CC[N@H+]4CCCC4C3)=C2)CCC1	REAL300018654871	1	49	0.0	-68.12	356.58	10.72	-57.40
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(C2(C(=O)[O-])CCC2)=C1	REAL300018654875	0	55	0.0	-74.39	414.75	13.33	-61.06
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=CC(C2(C(=O)[O-])CCC2)=C1	REAL300018654875	1	55	0.0	-69.05	410.70	13.05	-56.00
CC1CC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC[N@@H+]1C	REAL300018654924	0	48	0.0	-72.79	343.10	9.50	-63.29
CC1CC(NC2=CC=CC(C3(C(=O)[O-])CCC3)=C2)CC[N@H+]1C	REAL300018654924	1	48	0.0	-72.08	350.41	9.89	-62.19
C[N@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC(C2(C(=O)[O-])CCC2)=C1	REAL300018654958	0	60	0.0	-75.47	436.63	13.96	-61.51
C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=CC(C2(C(=O)[O-])CCC2)=C1	REAL300018654958	1	60	0.0	-75.55	438.38	14.04	-61.51
C[NH+]1CCN(C2=NC=C(CNC3=CC=CC(C4(C(=O)[O-])CCC4)=C3)C=N2)CC1	REAL300018654963	1	55	0.0	-75.32	423.47	10.70	-64.62
CC([NH2+]C1CC(C)(C)CC(C)(C)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664047	0	47	0.0	-68.75	352.85	7.68	-61.07
CC([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664048	0	39	0.0	-75.62	341.75	8.54	-67.08
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664049	0	45	0.0	-73.38	372.06	8.56	-64.82
CC([NH2+]CC1=CC=C(C2=CC=CS2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664051	1	39	0.0	-75.47	350.81	9.02	-66.45
CC([NH2+]CC1=CC2=CC=CC=C2S1)C1=NC(C(=O)[O-])=CS1	REAL300018664052	0	35	0.0	-74.03	320.84	7.94	-66.09
CC(C)OC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664053	1	42	0.0	-73.90	352.71	7.25	-66.65
CCCCCCCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664054	1	54	0.0	-73.64	442.29	10.55	-63.09
CC(C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018664055	0	53	0.0	-72.29	416.37	10.75	-61.54
CC([NH2+]CC1=C2NC=CC2=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664056	0	36	0.0	-73.24	314.81	6.40	-66.84
CC(C)CC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664058	1	44	0.0	-71.23	364.64	9.09	-62.14
CC1=CC=C(C2=CC=CC(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)=C2)C=C1	REAL300018664059	1	45	0.0	-74.55	379.06	10.49	-64.06
CC([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664062	1	32	0.0	-76.91	316.90	7.41	-69.50
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664063	1	45	0.0	-74.23	379.50	10.48	-63.75
CC([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664064	1	36	0.0	-76.98	322.69	5.98	-71.00
CCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OCC	REAL300018664065	1	46	0.0	-78.06	385.89	7.44	-70.62
CC([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664066	1	35	0.0	-83.16	335.33	7.81	-75.35
CC([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664068	1	35	0.0	-82.63	323.03	5.51	-77.12
CC([NH2+]CC1=CC=NC2=CC=CC=C12)C1=NC(C(=O)[O-])=CS1	REAL300018664069	0	37	0.0	-78.63	319.88	6.67	-71.96
CC([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664070	1	36	0.0	-77.46	329.44	6.20	-71.26
CC([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664071	1	38	0.0	-84.31	344.13	3.93	-80.38
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664072	1	46	0.0	-74.49	391.65	9.47	-65.02
CC(CCOCC1=CC=CC=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664073	0	45	0.0	-71.44	371.86	7.59	-63.85
CC([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664074	0	39	0.0	-75.76	340.80	8.53	-67.23
CC([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664075	1	42	0.0	-75.73	374.38	10.34	-65.39
CC([NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664076	1	42	0.0	-76.35	374.38	10.33	-66.02
CC([NH2+]CC1=CC=C2OCCC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664079	1	37	0.0	-75.85	319.32	6.25	-69.60
CC([NH2+]CC1=CSC(Br)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664080	1	29	0.0	-75.48	295.09	6.08	-69.40
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OCC1=CC=CN=C1	REAL300018664081	1	49	0.0	-82.58	418.79	7.79	-74.79
CC([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664082	1	43	0.0	-75.84	357.35	6.32	-69.52
CC([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664083	1	40	0.0	-85.07	357.03	3.11	-81.96
CC([NH2+]CC1=C2C=CNC2=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664084	0	36	0.0	-70.15	314.63	6.42	-63.73
CC([NH2+]CC1=CC=C2C=CNC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664085	1	36	0.0	-74.32	314.79	6.44	-67.88
CC([NH2+]CC1=CC=C2OC(C)(C)CCC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664087	1	46	0.0	-74.97	374.06	8.23	-66.74
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664088	0	47	0.0	-72.46	360.71	8.78	-63.68
CC([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664089	1	41	0.0	-77.39	352.67	8.04	-69.35
CC([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664090	1	41	0.0	-78.36	352.86	8.06	-70.30
CC(NCC1=CC=C(N2CC[NH+](C)CC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664091	0	49	0.0	-80.96	395.10	6.34	-74.62
CC([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664092	1	41	0.0	-79.40	364.85	4.91	-74.49
CC([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664093	0	42	0.0	-77.42	344.43	4.22	-73.20
CC([NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664094	0	47	0.0	-71.23	391.48	7.32	-63.91
CC(NC1CC[NH+](CC2=CC=C(Cl)C=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664094	1	47	0.0	-82.14	395.71	8.72	-73.42
CC([NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664095	0	47	0.0	-71.16	390.18	7.27	-63.89
CC(NC1CC[NH+](CC2=CC=CC=C2Cl)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664095	1	47	0.0	-66.55	392.38	8.64	-57.91
CC([NH2+]C1CCN(CC2=CC=CC=N2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664096	0	46	0.0	-73.53	371.06	5.14	-68.39
CC(NC1CC[NH+](CC2=CC=CC=N2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664096	1	46	0.0	-72.76	374.03	6.71	-66.05
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC(C)=C1OCC1=CC=CC=N1	REAL300018664100	1	51	0.0	-76.93	431.55	9.61	-67.32
CC([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664101	1	39	0.0	-78.41	354.37	7.09	-71.32
CC(NCC1=CC=C(OCC[NH+]2CCCC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664102	0	51	0.0	-79.87	414.77	8.22	-71.65
CC([NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664103	0	39	0.0	-75.23	368.02	9.68	-65.55
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1OCC(F)(F)F	REAL300018664104	1	43	0.0	-82.25	383.61	6.98	-75.27
CC([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664106	1	45	0.0	-78.52	389.59	7.92	-70.60
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664107	1	45	0.0	-76.26	387.48	7.99	-68.27
CC(NCC1=CC=C(OCC[NH+](C)C)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664108	0	47	0.0	-80.38	391.22	6.92	-73.46
CC([NH2+]CC1=CC(Br)=C2OCCOC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664109	1	38	0.0	-77.91	348.28	6.23	-71.68
CC([NH2+]CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664110	1	42	0.0	-81.94	382.96	8.56	-73.38
COCCOC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664111	1	43	0.0	-74.94	368.42	5.90	-69.04
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1Cl	REAL300018664112	1	36	0.0	-78.54	328.97	6.25	-72.29
CC([NH2+]CC1=CC2=CC(Br)=CC=C2OC1)C1=NC(C(=O)[O-])=CS1	REAL300018664113	1	38	0.0	-77.15	350.76	7.53	-69.62
CC([NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1)C1=NC(C(=O)[O-])=CS1	REAL300018664114	1	38	0.0	-79.02	362.31	7.97	-71.05
CC([NH2+]CC1=CN=C(N2CCOCC2)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664118	1	41	0.0	-75.27	357.13	3.72	-71.55
CC([NH2+]CC1=CC=CC2=NC=CC=C12)C1=NC(C(=O)[O-])=CS1	REAL300018664119	0	37	0.0	-78.26	319.53	6.66	-71.60
CC([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664120	1	39	0.0	-76.64	354.37	7.09	-69.55
CC([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664123	0	39	0.0	-73.98	342.83	8.70	-65.28
CC([NH2+]C1CC(C2=CC=CC(Br)=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664124	0	39	0.0	-73.92	347.40	8.79	-65.13
CC([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664125	0	39	0.0	-73.09	339.83	8.62	-64.47
CCCOC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664128	1	42	0.0	-73.30	356.30	7.43	-65.87
C#CCCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664129	1	41	0.0	-75.08	362.07	7.95	-67.13
CC([NH2+]CC1=CC(C2=CC=CC=C2)=CS1)C1=NC(C(=O)[O-])=CS1	REAL300018664130	1	39	0.0	-73.86	349.48	8.98	-64.88
CC([NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664131	1	39	0.0	-79.47	360.15	9.18	-70.29
CC1=C2C=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C=NC2=NN1	REAL300018664132	1	37	0.0	-85.88	326.49	4.93	-80.95
CC([NH2+]CC1=CC=CC(OC2CCCC2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664133	1	46	0.0	-73.09	378.17	8.62	-64.47
CC([NH2+]CC1=CN=C2C=CC=CN12)C1=NC(C(=O)[O-])=CS1	REAL300018664134	1	35	0.0	-77.06	310.28	6.83	-70.23
CC([NH2+]CC1=CN=C(N(C)C)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664135	1	36	0.0	-72.47	324.50	5.37	-67.10
CC(C)OC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664136	1	42	0.0	-73.19	352.72	7.25	-65.94
CC([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664140	1	46	0.0	-75.16	398.43	9.85	-65.31
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664142	0	41	0.0	-74.81	346.56	8.58	-66.23
CC1=CC=CC(CCC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664143	0	44	0.0	-71.53	361.55	9.17	-62.36
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664144	0	44	0.0	-75.46	378.88	9.50	-65.96
CC1=CC=C(CCC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664145	0	44	0.0	-71.80	363.06	9.18	-62.62
CC([NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664146	0	47	0.0	-70.30	391.64	7.15	-63.15
CC([NH2+]C1CCN(C(C)C2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664147	0	47	0.0	-71.85	379.50	6.96	-64.89
CC(NC1CC[N@@H+](C(C)C2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664147	1	47	0.0	-75.58	380.75	8.32	-67.26
CC(NC1CC[N@H+](C(C)C2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664147	1	47	0.0	-74.98	377.70	8.13	-66.85
CC(NC1CC[NH+](CC2CC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664148	0	44	0.0	-74.02	353.48	6.86	-67.16
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664150	0	55	0.0	-73.55	443.00	10.59	-62.96
CC([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664153	0	39	0.0	-76.27	357.69	9.25	-67.02
CC([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664154	0	44	0.0	-76.04	367.77	7.11	-68.93
CC([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664155	1	36	0.0	-79.87	319.48	4.81	-75.06
CC([NH2+]CC1=CN=C(C(C)(C)C)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664157	1	40	0.0	-72.44	350.28	6.17	-66.27
CC(C)C[NH+]1CCC(NC(C)C2=NC(C(=O)[O-])=CS2)CC1	REAL300018664158	0	46	0.0	-72.94	359.06	6.74	-66.20
CC1=CC=C(C2=CC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)S2)C=C1	REAL300018664159	0	42	0.0	-73.51	372.68	9.85	-63.66
C#CCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664161	1	38	0.0	-76.37	340.58	7.18	-69.19
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664162	0	44	0.0	-71.69	379.11	9.79	-61.90
CC([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664163	1	43	0.0	-75.75	384.96	9.40	-66.35
CCOC1=C(OC)C=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OC	REAL300018664164	1	47	0.0	-81.56	397.18	6.47	-75.09
CC([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664165	0	46	0.0	-74.28	371.58	5.19	-69.09
CC(NC1CC[NH+](CC2=CC=NC=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664165	1	46	0.0	-83.42	373.98	6.46	-76.96
CC(NC1CC[NH+](C(C)(C)C)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664166	0	46	0.0	-69.61	349.29	6.03	-63.58
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1SC	REAL300018664167	1	40	0.0	-78.26	352.35	6.75	-71.51
CCC(C)OC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1OC	REAL300018664168	1	49	0.0	-77.60	402.72	7.93	-69.67
C=C(C)COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1OC	REAL300018664169	1	47	0.0	-78.54	396.36	7.88	-70.66
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OCCC(C)C	REAL300018664170	1	52	0.0	-77.73	424.60	8.62	-69.11
CC(NC1CC[NH+](CCN2CCOCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664171	0	53	0.0	-77.93	408.07	3.71	-74.22
CC([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664171	1	53	0.0	-71.91	404.91	2.52	-69.39
CCOCC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1OC	REAL300018664172	1	46	0.0	-71.82	387.03	6.61	-65.21
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=NC(C(=O)[O-])=CS1	REAL300018664173	1	39	0.0	-79.87	342.84	6.33	-73.54
CCCC(CC1=CC=CC=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664174	0	44	0.0	-65.40	355.09	9.11	-56.29
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664177	0	44	0.0	-76.45	380.38	9.51	-66.94
C=CCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1Cl	REAL300018664178	1	40	0.0	-78.71	363.73	7.76	-70.95
CC([NH2+]CC1=CN=C(C2=CC=CC=C2)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664179	1	38	0.0	-74.60	348.47	7.43	-67.17
CC([NH2+]CC1=C2C=CC=CC2=NN1)C1=NC(C(=O)[O-])=CS1	REAL300018664182	1	35	0.0	-82.43	310.33	5.01	-77.42
CC([NH2+]CC1=CC=C(N(C)C)C(F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664183	1	40	0.0	-78.86	344.35	5.95	-72.91
CC(NC1CC[NH+](C2CCCCC2C)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664185	0	53	0.0	-67.30	388.68	8.11	-59.19
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664186	0	47	0.0	-74.88	389.61	9.82	-65.06
CC([NH2+]CC1=CC=C2OC(C)(C)CC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664188	1	43	0.0	-76.39	360.85	7.65	-68.74
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC(C(F)(F)F)=C1	REAL300018664191	1	39	0.0	-77.88	351.66	6.70	-71.18
CC(CSC(C)(C)C)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664193	0	41	0.0	-69.64	336.27	6.75	-62.89
CC(C)COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664196	1	45	0.0	-73.60	376.40	8.13	-65.47
COCCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664197	1	43	0.0	-75.87	368.42	5.90	-69.97
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664198	0	41	0.0	-63.77	355.49	9.52	-54.25
CC([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664199	1	36	0.0	-79.08	338.72	6.52	-72.56
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664201	0	43	0.0	-69.60	349.49	7.40	-62.20
CC([NH2+]CC1=CC=C2CCCC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664202	1	39	0.0	-71.81	328.97	8.32	-63.49
CC1=CC=CC=C1CC(C)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664203	0	41	0.0	-65.95	334.54	8.16	-57.79
CC1=CC=CC(CC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664204	0	41	0.0	-72.00	337.22	8.05	-63.95
CC(C)COC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664207	1	45	0.0	-72.99	376.40	8.13	-64.86
CC([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664208	1	52	0.0	-75.43	423.46	5.27	-70.16
CC([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=NC(C(=O)[O-])=CS1	REAL300018664209	0	38	0.0	-77.87	329.96	8.58	-69.29
C=CCOC1=C(Cl)C=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OC	REAL300018664210	1	44	0.0	-79.90	396.89	7.78	-72.12
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1CN1C=CC=N1	REAL300018664211	1	46	0.0	-76.95	395.65	7.38	-69.57
CC([NH2+]CC1=CC(F)=CC(Br)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664215	1	32	0.0	-77.76	311.13	7.09	-70.67
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664216	0	38	0.0	-76.66	340.31	8.19	-68.47
CC([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664217	1	39	0.0	-77.58	341.86	7.60	-69.98
CC([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664218	1	37	0.0	-79.78	324.44	6.87	-72.91
CC1=C(Br)SC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664219	1	32	0.0	-74.93	314.95	6.84	-68.09
CC([NH2+]CC1=CC2=CC(Br)=CC=C2O1)C1=NC(C(=O)[O-])=CS1	REAL300018664220	1	35	0.0	-75.59	332.61	7.53	-68.06
CC([NH2+]C1CCN(S(C)(=O)=O)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664221	0	40	0.0	-88.43	338.28	2.21	-86.22
COC1=CC(F)=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664222	1	36	0.0	-75.99	319.34	5.78	-70.21
COC1=CC=CC=C1N1CCC([NH2+]C(C)C2=NC(C(=O)[O-])=CS2)CC1	REAL300018664224	0	48	0.0	-72.68	379.09	6.30	-66.38
CC([NH2+]CCC1=CC=CC(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664227	0	35	0.0	-77.22	321.68	7.68	-69.54
CC([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664228	1	52	0.0	-74.82	437.70	11.23	-63.59
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1OC1=CC=CN=C1	REAL300018664229	1	45	0.0	-76.69	388.74	8.28	-68.41
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664230	0	38	0.0	-76.46	343.80	8.24	-68.22
CC1=CC=C(C2=NC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)S2)C=C1	REAL300018664231	1	41	0.0	-74.50	369.86	8.10	-66.40
CC([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=NC(C(=O)[O-])=CS1	REAL300018664232	1	37	0.0	-67.30	339.97	7.43	-59.87
CC([NH2+]CC1=CC=C(S(C)=O)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664234	1	37	0.0	-82.85	335.65	5.00	-77.85
CC([NH2+]CC1=CC=C2CCCCC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664239	1	42	0.0	-71.46	346.14	8.89	-62.57
CC([NH2+]C1CCC(C2CCCCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664240	0	51	0.0	-69.01	373.15	9.59	-59.42
CC1=CC=C(C(C)C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664241	0	41	0.0	-72.24	340.85	8.37	-63.87
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1C(C)(C)C	REAL300018664242	1	48	0.0	-73.64	384.11	8.39	-65.25
CC([NH2+]CC1=CC=CC(OC(C)(C)C)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664243	1	45	0.0	-72.92	363.84	7.54	-65.38
CC([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664244	1	37	0.0	-85.09	337.67	1.36	-83.73
CC([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664245	0	39	0.0	-74.39	334.58	8.36	-66.03
CCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1	REAL300018664246	1	42	0.0	-72.21	349.63	7.24	-64.97
COC1=CC(C)=CC=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664247	1	39	0.0	-66.23	333.00	6.42	-59.81
CC([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664249	0	42	0.0	-77.03	348.99	8.81	-68.22
COCC1=CSC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664250	1	36	0.0	-72.25	328.96	5.23	-67.02
CCCC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)S1	REAL300018664251	1	38	0.0	-70.48	338.53	7.87	-62.61
CC1=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=CC=C1[N+](=O)[O-]	REAL300018664252	1	37	0.0	-82.80	324.62	7.60	-75.20
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1Br	REAL300018664253	1	35	0.0	-75.96	322.93	7.59	-68.37
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1Cl	REAL300018664254	1	36	0.0	-78.88	328.97	6.25	-72.63
CC([NH2+]CC1=C2OC=CC2=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664255	1	35	0.0	-69.60	310.80	6.72	-62.88
CC([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664259	0	36	0.0	-77.23	321.72	7.99	-69.24
CC([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=NC(C(=O)[O-])=CS1	REAL300018664261	1	35	0.0	-77.06	327.00	7.34	-69.72
CC1=CC=CN2C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)=CN=C12	REAL300018664262	1	38	0.0	-76.85	331.73	7.43	-69.42
CC([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=NC(C(=O)[O-])=CS1	REAL300018664267	1	36	0.0	-79.69	321.84	6.42	-73.27
CC([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=NC(C(=O)[O-])=CS1	REAL300018664268	1	36	0.0	-79.70	321.75	6.42	-73.28
CC1=C(Cl)C=CC=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664270	1	35	0.0	-73.79	312.29	7.45	-66.34
CC([NH2+]CC1=CC2=CC=NC=C2S1)C1=NC(C(=O)[O-])=CS1	REAL300018664271	0	34	0.0	-78.65	315.58	6.15	-72.50
CC1=CC=CC2=NC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)N21	REAL300018664272	1	38	0.0	-74.52	320.85	7.23	-67.29
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664273	0	44	0.0	-75.30	367.23	7.13	-68.17
CC1=CC(Cl)=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664274	1	35	0.0	-75.20	321.58	7.57	-67.63
COCC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664275	1	39	0.0	-73.96	338.50	6.14	-67.82
COCC(CC(C)(C)C)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664276	0	44	0.0	-62.55	342.30	5.93	-56.62
CC([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664277	1	37	0.0	-86.39	330.86	6.84	-79.55
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC2=CC=CN=C12	REAL300018664278	1	40	0.0	-79.96	344.66	7.60	-72.36
CCCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1C	REAL300018664279	1	45	0.0	-74.13	376.37	8.18	-65.95
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664281	1	42	0.0	-69.51	357.35	8.01	-61.50
CC(NC1CC[N@H+](CC2=CC=CC=C2)C(C)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664285	0	50	0.0	-71.21	394.04	9.18	-62.03
CC(NC1CC[N@@H+](CC2=CC=CC=C2)C(C)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664285	1	50	0.0	-72.77	393.66	9.17	-63.60
CC([NH2+]CC1=CC=C(C(F)F)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664286	1	35	0.0	-76.26	315.62	7.27	-68.99
CC([NH2+]CC1=CC2=CC(Cl)=CN=C2O1)C1=NC(C(=O)[O-])=CS1	REAL300018664287	1	34	0.0	-81.47	322.85	4.38	-77.09
CC([NH2+]CC1=CC=CC2=C1CCC2)C1=NC(C(=O)[O-])=CS1	REAL300018664288	1	39	0.0	-71.01	327.65	8.23	-62.78
CC([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=NC(C(=O)[O-])=CS1	REAL300018664290	1	35	0.0	-77.03	331.56	7.44	-69.59
CC([NH2+]CC1=NC=CC2=CC=CC=C21)C1=NC(C(=O)[O-])=CS1	REAL300018664291	1	37	0.0	-69.43	321.19	6.67	-62.76
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664292	1	50	0.0	-75.56	418.28	11.17	-64.39
CCN(CC)C1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1F	REAL300018664293	1	46	0.0	-78.23	383.91	7.57	-70.66
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C(SC)C=C1OC	REAL300018664294	1	44	0.0	-70.00	377.79	6.53	-63.47
CC([NH2+]C1CCN(C2=CC=C(N(C)C)C=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664295	0	52	0.0	-74.94	403.09	7.06	-67.88
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664296	0	43	0.0	-76.63	359.67	8.87	-67.76
CC([NH2+]C1CC(C)CC(C2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664297	0	48	0.0	-73.16	374.00	10.07	-63.09
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC2=CC=CC=C21	REAL300018664299	1	42	0.0	-76.42	357.90	8.01	-68.41
CCOC1=CC(F)=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664301	1	39	0.0	-75.74	341.20	6.71	-69.03
COC1=CC=C(C(C)C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664302	0	42	0.0	-75.69	348.94	6.99	-68.70
CC([NH2+]C1CCC2(CCCCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664304	0	48	0.0	-70.01	350.93	8.29	-61.72
CC([NH2+]C(C)C(C)C1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664305	0	41	0.0	-72.74	335.02	8.04	-64.70
CC([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=NC(C(=O)[O-])=CS1	REAL300018664306	0	40	0.0	-77.19	336.57	7.48	-69.71
COC1=CC=CC2=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C=CC=C12	REAL300018664307	0	42	0.0	-74.56	352.78	7.89	-66.67
CC(CCC1=CC=CN=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664309	0	40	0.0	-75.39	334.98	6.72	-68.67
CC(C)C1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664310	1	41	0.0	-71.44	343.66	8.32	-63.12
CC([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664312	0	43	0.0	-75.21	361.85	9.43	-65.78
CC([NH2+]C1CCC2(CCOCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664313	0	46	0.0	-73.04	342.48	5.93	-67.11
COC1=CN=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1C	REAL300018664314	1	38	0.0	-74.89	321.98	4.56	-70.33
CC([NH2+]CCC1=CC=C(F)C=C1Cl)C1=NC(C(=O)[O-])=CS1	REAL300018664315	0	35	0.0	-77.67	325.10	7.64	-70.03
CC([NH2+]CC1=CC2=CN=CC=C2O1)C1=NC(C(=O)[O-])=CS1	REAL300018664316	1	34	0.0	-79.38	306.05	5.20	-74.18
CC([NH2+]CC1=CC=C(C(F)(F)F)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664317	1	32	0.0	-78.17	314.30	6.71	-71.46
CC1=C2C=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)NC2=CC=C1	REAL300018664318	1	39	0.0	-76.51	336.28	6.98	-69.53
CCCOC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1	REAL300018664320	1	45	0.0	-72.00	371.07	8.03	-63.97
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OC1CC1	REAL300018664321	1	44	0.0	-79.38	373.23	7.27	-72.11
CC([NH2+]C1CCC2(CCCC2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664322	0	45	0.0	-69.67	339.99	7.95	-61.72
CC([NH2+]CC1=CC=C(C(F)F)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664323	1	34	0.0	-80.23	312.84	5.50	-74.73
CC([NH2+]C1CCC2=CC=CC=C2CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664324	0	42	0.0	-71.68	335.29	8.33	-63.35
CC([NH2+]C1CCCC2=CC=CC=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664326	0	42	0.0	-78.86	335.85	8.37	-70.49
CCC1(CC)CCC([NH2+]C(C)C2=NC(C(=O)[O-])=CS2)CC1	REAL300018664329	0	47	0.0	-69.56	344.84	7.63	-61.93
CC([NH2+]CC1=CC=CC2=C1CCOC2)C1=NC(C(=O)[O-])=CS1	REAL300018664330	1	40	0.0	-72.80	330.22	6.37	-66.43
CC([NH2+]CC1CC1C1=CC=C(F)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664331	0	39	0.0	-76.55	339.02	8.57	-67.98
CC(CC1=COC2=CC=CC=C12)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664332	0	41	0.0	-69.82	346.83	8.09	-61.73
CC1=CC=C2C=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)NC2=C1	REAL300018664334	1	39	0.0	-76.04	336.71	7.00	-69.04
CC([NH2+]C1CCCCC(C2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664336	0	48	0.0	-73.40	372.48	9.61	-63.79
CC([NH2+]CC1=CC2=CC=CN=C2O1)C1=NC(C(=O)[O-])=CS1	REAL300018664337	1	34	0.0	-77.17	306.09	3.89	-73.28
CC1=CC(C2=CC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C=C2)=CC(C)=C1	REAL300018664338	1	48	0.0	-74.77	400.46	11.14	-63.63
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1N1C=NC=N1	REAL300018664339	1	41	0.0	-81.86	352.37	9.85	-72.01
CC([NH2+]C1CCCC(C(C)(C)C)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664340	0	50	0.0	-72.84	363.80	8.23	-64.61
CC([NH2+]CC1=CC2=CC(F)=CC=C2O1)C1=NC(C(=O)[O-])=CS1	REAL300018664341	1	35	0.0	-76.52	317.74	6.99	-69.53
CC([NH2+]CC1=CC=C(OCC(F)F)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664342	1	39	0.0	-78.48	347.81	6.95	-71.53
COCC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664345	1	39	0.0	-73.60	338.50	6.13	-67.47
CC([NH2+]CC1=CC=C(SC2=CC=CC=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664348	1	43	0.0	-77.77	384.04	10.50	-67.27
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664349	0	49	0.0	-78.80	393.23	7.38	-71.42
COC1=CC(C)=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OC	REAL300018664350	1	43	0.0	-76.87	357.53	6.14	-70.73
CC([NH2+]CC1=CC=CC=C1C1CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664351	1	39	0.0	-69.85	326.43	8.42	-61.43
CC1=C(Br)C=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)S1	REAL300018664352	1	32	0.0	-72.13	316.04	6.91	-65.22
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1COC1=CC=CC=C1	REAL300018664353	1	50	0.0	-75.60	421.38	9.13	-66.47
CC([NH2+]CCC1=CC=C(F)C=C1F)C1=NC(C(=O)[O-])=CS1	REAL300018664354	0	35	0.0	-78.52	316.81	7.27	-71.25
CC1=CC(C)=CC(CC[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664355	0	41	0.0	-74.13	347.77	8.49	-65.64
COC1=CC=C(CC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1OC	REAL300018664356	0	49	0.0	-75.86	394.46	7.43	-68.43
CC(CCC1=CSC=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664358	0	38	0.0	-71.47	327.80	7.21	-64.26
COCCC1=CC=C(OCC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664359	0	49	0.0	-68.66	406.73	7.11	-61.55
CCC(CC1=CC=C(Br)C=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664360	0	41	0.0	-68.78	354.50	8.94	-59.84
CC([NH2+]CC1=CC=C(N(C)CC2=CC=CS2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664362	1	47	0.0	-72.39	403.70	9.76	-62.63
CC([NH2+]C1CCCC(C2=CC=C(Cl)C=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664363	0	45	0.0	-72.36	370.95	9.95	-62.41
CC([NH2+]CC1=CC(C2=CC=CC=N2)=NN1)C1=NC(C(=O)[O-])=CS1	REAL300018664364	1	38	0.0	-80.07	339.62	4.64	-75.43
CC([NH2+]CC1=CN=C2C(=C1)C=NN2C)C1=NC(C(=O)[O-])=CS1	REAL300018664365	1	37	0.0	-83.34	327.75	5.53	-77.81
CC(CCC1=CC=C(F)C=C1F)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664366	0	41	0.0	-73.65	352.01	8.62	-65.03
CSC1=CC(Br)=CC=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664367	1	36	0.0	-68.11	340.46	7.94	-60.17
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664368	0	44	0.0	-71.42	371.94	9.32	-62.10
COCC(CC1CCOCC1)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664369	0	46	0.0	-70.05	361.63	4.73	-65.32
CC(NCC1=CN=C(N2CC[NH+](C)CC2)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664370	1	47	0.0	-81.08	389.25	5.90	-75.18
CC([NH2+]C1CC=C(C2=CC=C(Cl)C=C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664371	0	43	0.0	-74.28	372.17	9.88	-64.40
CC([NH2+]C1CCC2COCCC2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664375	0	43	0.0	-72.61	335.12	5.75	-66.86
CC([NH2+]C1CC2(C1)COC(C)(C)C2)C1=NC(C(=O)[O-])=CS1	REAL300018664376	0	43	0.0	-73.78	344.57	5.82	-67.96
CC([NH2+]C1CCOC2=CC=CC=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664377	0	40	0.0	-72.57	327.91	6.65	-65.92
CC([NH2+]C1CCCC2=C(C=CS2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664378	0	39	0.0	-79.06	328.45	7.56	-71.50
CC([NH2+]CC1=C2C(=CC=C1)N=CN2C)C1=NC(C(=O)[O-])=CS1	REAL300018664379	1	38	0.0	-76.97	317.86	7.46	-69.51
COC1=CC=C(C)C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664380	1	39	0.0	-71.45	327.76	6.30	-65.15
CC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1C	REAL300018664383	0	41	0.0	-69.51	332.99	8.13	-61.38
COC1=CC=C2SC(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)=CC2=C1	REAL300018664385	0	39	0.0	-75.02	350.39	7.22	-67.80
CCN1CCC2=CC(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)=CC=C21	REAL300018664387	1	44	0.0	-73.47	355.87	6.55	-66.92
CC([NH2+]C1CCC2(COC(C)(C)C2)CC1)C1=NC(C(=O)[O-])=CS1	REAL300018664388	0	49	0.0	-77.09	371.62	6.68	-70.41
CSC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1Cl	REAL300018664389	1	36	0.0	-78.97	338.66	7.87	-71.10
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1C1CC1	REAL300018664390	1	42	0.0	-71.80	350.47	9.02	-62.78
COC1=CC=CC2=C1CCCC([NH2+]C(C)C1=NC(C(=O)[O-])=CS1)C2	REAL300018664391	0	46	0.0	-71.79	362.58	7.80	-63.99
CCOC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=N1	REAL300018664392	1	38	0.0	-76.80	332.38	4.04	-72.76
CC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1C1CC1	REAL300018664393	1	42	0.0	-71.82	349.88	9.03	-62.79
CC1=NN(C2=CC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C(C)=C2)C=C1	REAL300018664394	1	45	0.0	-78.95	379.17	8.73	-70.22
CC([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664395	1	38	0.0	-78.79	354.64	8.28	-70.51
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664396	1	42	0.0	-77.55	373.81	8.70	-68.85
CC1=NN(C2=CC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C=C2)C=C1Cl	REAL300018664397	1	42	0.0	-81.33	380.36	8.69	-72.64
CC([NH2+]CC1=CC=C2OC(C)C(C)C2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664399	1	43	0.0	-76.34	356.83	7.52	-68.82
CC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OC(F)F	REAL300018664400	1	39	0.0	-71.44	342.77	6.73	-64.71
CC(C)C1=CC=C(O)C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664401	0	42	0.0	-72.12	351.33	5.71	-66.41
CC([NH2+]CC1=CC=C2CCOC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664405	1	37	0.0	-73.51	319.28	6.25	-67.26
CC([NH2+]CC1=CC=C2COCCC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664407	1	40	0.0	-74.43	337.15	6.49	-67.94
CC([NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664408	1	40	0.0	-80.17	347.73	6.25	-73.92
CC([NH2+]C1CC(COCC2=CC=CC=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664409	0	46	0.0	-73.44	385.33	8.33	-65.11
CSC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1	REAL300018664410	1	36	0.0	-73.91	323.66	7.42	-66.49
CC([NH2+]C1CCC2=CC(Cl)=CC=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664411	0	39	0.0	-75.54	337.19	8.44	-67.10
CC([NH2+]C1CC(C2=CC=CC=C2Br)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664412	0	39	0.0	-73.03	343.83	8.71	-64.32
CC([NH2+]CC1=CC=C(CC2CC2)S1)C1=NC(C(=O)[O-])=CS1	REAL300018664413	1	39	0.0	-70.71	348.63	8.64	-62.07
CC([NH2+]CC1=CC=C(OC2CC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664414	1	40	0.0	-74.82	343.98	7.37	-67.45
CC([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664416	1	38	0.0	-78.26	354.63	8.28	-69.98
CC1=NC=CN1C1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1	REAL300018664417	1	45	0.0	-81.41	378.64	9.42	-71.99
CC1=C(C)N(C2=CC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C=C2)C=N1	REAL300018664418	1	45	0.0	-82.92	381.17	10.01	-72.91
CC([NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664419	1	46	0.0	-72.37	378.41	10.43	-61.94
CC(NCC1=CC=C(CC[NH+](C)C)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664420	0	46	0.0	-78.88	383.54	7.98	-70.90
CC1=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)OC2=CC=C(F)C=C12	REAL300018664421	1	38	0.0	-76.82	338.13	7.62	-69.20
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664422	0	38	0.0	-76.98	342.25	8.25	-68.73
CC([NH2+]CC1=CC(C2=CC=CC=C2)=NN1C)C1=NC(C(=O)[O-])=CS1	REAL300018664423	1	42	0.0	-80.07	363.54	7.54	-72.53
CC([NH2+]CC1=CN=CC(C(C)(C)C)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664424	1	43	0.0	-74.70	354.84	6.90	-67.80
CC([NH2+]CC1=CC2=C(Br)C=CC=C2S1)C1=NC(C(=O)[O-])=CS1	REAL300018664425	0	35	0.0	-72.52	341.28	8.51	-64.01
CC([NH2+]CC1=CC=CC2=C1COCC2)C1=NC(C(=O)[O-])=CS1	REAL300018664431	1	40	0.0	-72.42	330.17	6.40	-66.02
COC1=CC(C)=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=N1	REAL300018664438	1	38	0.0	-76.42	325.76	3.72	-72.70
COC1=CC=CC(C2CC([NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C2)=C1	REAL300018664440	0	43	0.0	-75.12	355.61	7.48	-67.64
CC1=NOC(C2CC([NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C2)=N1	REAL300018664441	0	37	0.0	-80.31	322.34	3.89	-76.42
CC([NH2+]C1CC(C2CCOCC2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664442	0	43	0.0	-72.55	344.53	6.14	-66.41
CC([NH2+]CC=CC1=CC=C2OCOC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664443	0	39	0.0	-79.95	340.55	6.35	-73.60
CC([NH2+]CC1=CC=C(CC2CCC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664444	1	45	0.0	-71.16	374.51	9.92	-61.24
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664445	1	42	0.0	-79.42	379.63	7.17	-72.25
COC1=CC=C(CC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1	REAL300018664446	0	45	0.0	-72.88	364.98	7.47	-65.41
CCC1=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=NN1CC	REAL300018664447	1	41	0.0	-72.32	342.87	6.31	-66.01
CC([NH2+]CC1=CC=CC(C(C)(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664449	1	38	0.0	-76.30	336.65	7.93	-68.37
CC([NH2+]CC1=CC=C(C2=CSC=C2)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664450	1	38	0.0	-79.02	346.35	7.19	-71.83
COC1=CC=C(CCC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C(C)=C1	REAL300018664451	0	48	0.0	-74.91	384.97	8.28	-66.63
CC([NH2+]C1CC2CCCCCC2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664452	0	45	0.0	-69.99	337.05	7.97	-62.02
CC([NH2+]C1CCC(C)C2=CC=CC=C2C1)C1=NC(C(=O)[O-])=CS1	REAL300018664453	0	45	0.0	-70.71	351.12	8.86	-61.85
CC([NH2+]CC1=CC=C(C2=CSC=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664454	1	39	0.0	-74.37	349.00	8.83	-65.54
CCOC1=CC(CCC(C)[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1O	REAL300018664455	0	49	0.0	-76.73	399.94	6.32	-70.41
CC([NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)C1=NC(C(=O)[O-])=CS1	REAL300018664456	0	38	0.0	-74.93	341.12	9.04	-65.89
CC([NH2+]CC1=CC=C(OC2=CC=CC(Cl)=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664457	1	43	0.0	-77.19	388.87	9.76	-67.43
COC1=CC=CC(OC2=CC=C(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)C=C2)=C1	REAL300018664458	1	47	0.0	-80.24	401.64	8.55	-71.69
COC1=CC=CC=C1OC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664459	1	47	0.0	-77.15	402.73	9.18	-67.97
CC([NH2+]CC1=CC=CC(SC(F)(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664460	1	36	0.0	-77.85	339.84	7.86	-69.99
CC([NH2+]CC1=CC=C2CCOCC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664461	1	40	0.0	-74.37	337.15	6.49	-67.88
CC1=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)SC2=CC(F)=CC=C12	REAL300018664462	0	38	0.0	-75.63	343.99	8.53	-67.10
CC([NH2+]CC1=CC(C2=CC=NC=C2)=NN1)C1=NC(C(=O)[O-])=CS1	REAL300018664463	1	38	0.0	-83.07	338.06	4.57	-78.50
COC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1OCCO	REAL300018664464	1	44	0.0	-81.00	375.41	3.44	-77.56
CC([NH2+]CC1=CC2=CN=CC=C2C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664465	1	37	0.0	-79.95	324.44	6.87	-73.08
COC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CC=C1OCC1CCCO1	REAL300018664466	1	51	0.0	-80.11	421.12	7.03	-73.08
CC1=CC2=CC=CC(C[NH2+]C(C)C3=NC(C(=O)[O-])=CS3)=C2O1	REAL300018664467	1	38	0.0	-68.94	332.69	7.54	-61.40
CC(C)OC1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1F	REAL300018664469	1	42	0.0	-80.45	358.95	7.33	-73.12
CC(NCC1=CC2=C[NH+]=CC=C2N1)C1=NC(C(=O)[O-])=CS1	REAL300018664472	0	35	0.0	-74.89	313.04	3.90	-70.99
CC([NH2+]CC1=CC(Br)=CC2=CC=CN=C21)C1=NC(C(=O)[O-])=CS1	REAL300018664477	1	37	0.0	-67.10	344.54	7.52	-59.58
CC([NH2+]CC1=C2OC=CC2=C(F)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664479	1	35	0.0	-74.90	317.22	6.80	-68.10
CC([NH2+]CC1=C2OC=CC2=CC(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664480	1	35	0.0	-71.73	327.51	7.23	-64.50
COC1=CC=CC(C[NH+]2CCC(NC(C)C3=NC(C(=O)[O-])=CS3)CC2)=C1	REAL300018664481	0	51	0.0	-79.40	408.24	7.45	-71.95
COC1=CC=CC(CN2CCC([NH2+]C(C)C3=NC(C(=O)[O-])=CS3)CC2)=C1	REAL300018664481	1	51	0.0	-72.82	405.31	6.06	-66.76
CC([NH2+]CC1=CN=C2C=C(Br)C=CN12)C1=NC(C(=O)[O-])=CS1	REAL300018664483	1	35	0.0	-79.92	331.60	7.45	-72.47
CC([NH2+]CC1=CC=C(C2CCCCC2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664485	1	48	0.0	-71.20	385.29	10.21	-60.99
CC1=NN(C2CCC2)C=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664486	1	42	0.0	-73.76	351.20	6.78	-66.98
COC1=CC=CC=C1C=CC[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664487	0	40	0.0	-72.80	342.86	7.05	-65.75
CC([NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664488	1	40	0.0	-79.79	352.61	6.75	-73.04
CC([NH2+]CC1=CC(C2=CC=CO2)=NN1C)C1=NC(C(=O)[O-])=CS1	REAL300018664489	1	39	0.0	-80.49	346.74	5.65	-74.84
CC(NC1CCC[N@@H+](C(C)(C)C)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664490	0	46	0.0	-69.73	343.73	6.43	-63.30
CC(NC1CCC[N@H+](C(C)(C)C)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664490	1	46	0.0	-75.39	349.50	6.00	-69.39
CC([NH2+]C1CCCN(C(C)(C)C)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664490	1	46	0.0	-67.61	346.25	4.90	-62.71
CC([NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664491	1	45	0.0	-72.79	386.23	10.86	-61.93
CC([NH2+]C1CC(C2=CC=C(OC(F)(F)F)C=C2)C1)C1=NC(C(=O)[O-])=CS1	REAL300018664492	0	43	0.0	-75.99	370.06	7.81	-68.18
CC1=CC=C(C2CCC([NH2+]C(C)C3=NC(C(=O)[O-])=CS3)CC2)C=C1	REAL300018664494	0	48	0.0	-70.14	375.66	10.14	-60.00
CC([NH2+]CC1=CC=C(OC(F)(F)F)C(Cl)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664495	1	36	0.0	-80.57	345.47	6.75	-73.82
CC([NH2+]CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664496	1	42	0.0	-78.31	372.02	9.23	-69.08
CC([NH2+]CC1=CC=C2SC=CC2=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664497	1	35	0.0	-76.54	320.35	7.77	-68.77
CC([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664498	1	41	0.0	-78.02	352.86	8.07	-69.95
CC1=CC=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1C(F)(F)F	REAL300018664499	1	38	0.0	-70.84	328.23	8.01	-62.83
CC([NH2+]CC1=CC2=NNC=C2C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664500	1	35	0.0	-78.19	309.68	5.12	-73.07
CCC(C)C1=CC=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=C1	REAL300018664501	1	44	0.0	-71.33	362.11	8.99	-62.34
CC([NH2+]C1CCC2(C1)CCOCC2)C1=NC(C(=O)[O-])=CS1	REAL300018664502	0	43	0.0	-72.87	332.62	5.59	-67.28
CC([NH2+]CC1=CC=CC2=C1CCCC2)C1=NC(C(=O)[O-])=CS1	REAL300018664504	1	42	0.0	-70.86	338.79	8.76	-62.10
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664505	0	39	0.0	-78.12	343.31	8.29	-69.83
CC([NH2+]CC1=CC=C(N2C=CN=N2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664507	1	38	0.0	-87.57	335.81	6.31	-81.26
CC1=C(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)C=CC2=CC=CC=C21	REAL300018664508	0	41	0.0	-72.66	340.41	9.15	-63.51
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664509	1	50	0.0	-72.94	408.63	8.04	-64.90
CC([NH2+]CC1=CC2=CC=CC=C2C(Br)=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664510	1	38	0.0	-76.58	347.98	9.18	-67.40
COC1=C2C=CNC2=CC=C1C[NH2+]C(C)C1=NC(C(=O)[O-])=CS1	REAL300018664511	1	40	0.0	-69.05	344.34	5.82	-63.23
CC([NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664512	1	45	0.0	-75.24	372.45	3.53	-71.71
CCCN1N=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=C1C	REAL300018664513	1	41	0.0	-75.16	347.27	6.24	-68.92
CC1=CC(C[NH2+]C(C)C2=NC(C(=O)[O-])=CS2)=CN=C1N1C=CC=N1	REAL300018664514	1	41	0.0	-82.33	355.57	7.74	-74.59
CC([NH2+]C1CCC1CC1=CC=CC=C1)C1=NC(C(=O)[O-])=CS1	REAL300018664515	0	42	0.0	-70.99	348.33	9.33	-61.66
CN1C2=C(C[N@H+](CCC(C)(C)C(=O)[O-])CC2)C2=CC=C(Cl)C(F)=C21	REAL300018664525	0	46	0.0	-65.85	363.85	11.94	-53.91
CN1C2=C(C[N@@H+](CCC(C)(C)C(=O)[O-])CC2)C2=CC=C(Cl)C(F)=C21	REAL300018664525	1	46	0.0	-65.58	365.10	11.97	-53.61
CN1C2=C(C[N@H+](C[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C2=CC=C(Cl)C(F)=C21	REAL300018664543	0	47	0.0	-73.74	372.69	12.81	-60.93
CN1C2=C(C[N@@H+](C[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)C2=CC=C(Cl)C(F)=C21	REAL300018664543	1	47	0.0	-73.92	372.36	12.83	-61.09
CN1C2=C(C[N@H+](CC3=CC(C(=O)[O-])=CC=C3O)CC2)C2=CC=C(Cl)C(F)=C21	REAL300018664544	1	45	0.0	-71.42	376.83	10.52	-60.90
CN1C2=C(C[N@@H+](CC3=CC(C(=O)[O-])=CC=C3O)CC2)C2=CC=C(Cl)C(F)=C21	REAL300018664544	1	45	0.0	-70.03	378.53	10.45	-59.58
O=C([O-])C1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C=C1	REAL300018664545	0	51	0.0	-79.01	396.13	12.65	-66.36
CC1=C(C(=O)[O-])C=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)O1	REAL300018664546	0	51	0.0	-66.68	392.26	11.58	-55.10
O=C([O-])C1=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C=CO1	REAL300018664547	0	48	0.0	-40.26	365.83	10.70	-29.56
O=C([O-])CN1CCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CC1	REAL300018664548	0	56	0.0	-60.13	401.20	10.18	-49.95
O=C([O-])C1=COC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=C1	REAL300018664549	0	48	0.0	-67.21	373.69	10.83	-56.38
O=C([O-])C1CCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CC1	REAL300018664550	0	54	0.0	-58.74	387.81	11.88	-46.86
O=C([O-])CN1C=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)N=N1	REAL300018664551	0	50	0.0	-67.29	387.56	9.53	-57.76
O=C([O-])C1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)O1	REAL300018664552	0	48	0.0	-64.40	372.75	11.04	-53.36
O=C([O-])C1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)O1	REAL300018664553	0	48	0.0	-64.40	372.75	11.04	-53.36
CC(C)(CC[NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21)C(=O)[O-]	REAL300018664554	0	53	0.0	-57.47	385.03	11.32	-46.15
O=C([O-])C1CCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CC1	REAL300018664555	0	54	0.0	-58.74	387.81	11.88	-46.86
O=C([O-])C1=CC=CC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=C1	REAL300018664556	0	51	0.0	-72.60	394.95	12.65	-59.95
O=C([O-])C1=NNC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=C1	REAL300018664557	0	48	0.0	-78.75	377.54	9.08	-69.67
O=C([O-])CCCN1CCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CC1	REAL300018664558	1	62	0.0	-61.57	443.91	11.47	-50.10
O=C([O-])COC1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C=C1	REAL300018664559	0	55	0.0	-77.41	427.18	12.93	-64.48
O=C([O-])COC1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C=C1	REAL300018664560	0	55	0.0	-77.41	427.18	12.93	-64.48
O=C([O-])C1=CC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=CS1	REAL300018664561	0	48	0.0	-65.09	378.03	11.43	-53.66
O=C([O-])CC1CCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CC1	REAL300018664562	0	57	0.0	-57.65	404.61	12.85	-44.80
O=C([O-])C1=NOC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=C1	REAL300018664563	0	47	0.0	-71.90	367.15	10.07	-61.83
O=C([O-])C1=CC=CC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=N1	REAL300018664564	0	50	0.0	-70.48	388.49	10.89	-59.59
O=C([O-])C1=NOC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=C1	REAL300018664565	0	47	0.0	-71.90	367.15	10.07	-61.83
CC([NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21)C1CC1C(=O)[O-]	REAL300018664566	0	51	0.0	-43.17	363.25	11.43	-31.74
O=C([O-])CC1CC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664567	0	51	0.0	-54.91	376.23	11.91	-43.00
CC(OC1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C=C1)C(=O)[O-]	REAL300018664568	0	58	0.0	-78.38	444.39	13.53	-64.85
CC1CC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)CCC1C(=O)[O-]	REAL300018664569	0	57	0.0	-63.21	389.01	12.19	-51.02
O=C([O-])C=CC1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)O1	REAL300018664570	0	52	0.0	-75.00	407.24	10.63	-64.37
O=C([O-])C(F)(F)C1CCCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664571	0	57	0.0	-58.56	418.74	12.67	-45.89
O=C([O-])C(F)(F)C1CCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664572	0	54	0.0	-56.48	400.56	12.14	-44.34
CC1=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C=C(C(=O)[O-])O1	REAL300018664573	0	51	0.0	-71.40	394.86	11.87	-59.53
CC1=C(C(=O)[O-])OC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=C1	REAL300018664574	0	51	0.0	-70.75	391.98	11.70	-59.05
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CC(CC(C)(C)CC(=O)[O-])[NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300018664576	0	59	0.0	-55.67	404.55	12.79	-42.88
CC1C(CC(=O)[O-])CCC1[NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300018664577	0	57	0.0	-59.21	402.63	12.85	-46.36
CC1(C(=O)[O-])CC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664578	0	51	0.0	-50.18	379.44	11.34	-38.84
CN1C=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C(C(=O)[O-])=N1	REAL300018664579	0	51	0.0	-47.97	387.64	10.25	-37.72
CCC1=C(C(=O)[O-])C=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)O1	REAL300018664580	0	54	0.0	-66.97	413.74	12.36	-54.61
O=C([O-])CCCC1CCCC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664581	0	63	0.0	-64.04	443.46	14.26	-49.78
CC(CCCC(C)(C)C(=O)[O-])[NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300018664582	0	62	0.0	-69.20	437.51	13.43	-55.77
O=C([O-])C1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)N=C1	REAL300018664583	0	50	0.0	-65.14	384.75	10.68	-54.46
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664584	0	58	0.0	-54.10	434.39	14.10	-40.00
CN1N=C(C(=O)[O-])C=C1C[NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300018664585	0	51	0.0	-72.57	384.81	9.93	-62.64
O=C([O-])CCC1=CC=C(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)O1	REAL300018664586	0	54	0.0	-64.82	415.00	12.44	-52.38
O=C([O-])C1=CC(C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)=CC=C1F	REAL300018664587	0	51	0.0	-76.66	393.69	12.51	-64.15
O=C([O-])CCC1CC([NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664588	0	54	0.0	-60.06	391.06	12.47	-47.59
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CC1=CC(C(=O)[O-])=NC=C1C[NH2+][C@@H]1[C@H](OCC2=CC=CC=C2)[C@@H]2CCC[C@@H]21	REAL300018664592	0	53	0.0	-77.68	401.71	11.47	-66.21
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O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+][C@@H]3[C@H](OCC4=CC=CC=C4)[C@@H]4CCC[C@@H]43)=N2)C1	REAL300018664595	0	58	0.0	-68.56	437.66	12.29	-56.27
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+][C@@H]2[C@H](OCC3=CC=CC=C3)[C@@H]3CCC[C@@H]32)C1	REAL300018664596	0	58	0.0	-78.47	417.02	11.91	-66.56
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O=C([O-])C1=CC=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)O1	REAL300018664605	0	41	0.0	-77.95	363.96	8.26	-69.69
O=C([O-])C1=CC=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)O1	REAL300018664606	0	41	0.0	-77.95	363.96	8.26	-69.69
CC(C)(CC[NH2+]CCOC1=CC=CC=C1OCC(F)(F)F)C(=O)[O-]	REAL300018664607	0	46	0.0	-67.47	376.10	8.53	-58.94
O=C([O-])C1CCC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)CC1	REAL300018664608	0	47	0.0	-71.51	380.33	9.13	-62.38
O=C([O-])C1=CC=CC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=C1	REAL300018664609	0	44	0.0	-72.80	381.15	9.76	-63.04
O=C([O-])C1=NNC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=C1	REAL300018664610	0	41	0.0	-81.26	362.55	6.21	-75.05
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O=C([O-])C1=CC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=CS1	REAL300018664613	0	41	0.0	-72.23	371.69	8.82	-63.41
O=C([O-])CC1CCC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)CC1	REAL300018664614	0	50	0.0	-63.85	390.97	9.98	-53.87
O=C([O-])C1=NOC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=C1	REAL300018664615	0	40	0.0	-79.98	358.36	7.31	-72.67
O=C([O-])C1=CC=CC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=N1	REAL300018664616	0	43	0.0	-80.40	376.99	7.94	-72.46
O=C([O-])C1=NOC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=C1	REAL300018664617	0	40	0.0	-79.98	358.36	7.31	-72.67
CC([NH2+]CCOC1=CC=CC=C1OCC(F)(F)F)C1CC1C(=O)[O-]	REAL300018664618	0	44	0.0	-53.76	360.64	8.54	-45.22
O=C([O-])CC1CC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C1	REAL300018664619	0	44	0.0	-63.77	368.04	8.73	-55.04
CC1CC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)CCC1C(=O)[O-]	REAL300018664620	0	50	0.0	-73.25	398.85	9.65	-63.60
O=C([O-])C=CC1=CC=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)O1	REAL300018664621	0	45	0.0	-87.99	398.45	7.86	-80.13
O=C([O-])C(F)(F)C1CCC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C1	REAL300018664622	0	47	0.0	-70.20	391.56	9.38	-60.82
CC1=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C=C(C(=O)[O-])O1	REAL300018664623	0	44	0.0	-80.56	382.95	8.92	-71.64
CC1=C(C(=O)[O-])OC(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=C1	REAL300018664624	0	44	0.0	-78.49	381.93	8.85	-69.64
CC(CC(C)(C)CC(=O)[O-])[NH2+]CCOC1=CC=CC=C1OCC(F)(F)F	REAL300018664625	0	52	0.0	-60.22	399.39	10.05	-50.17
CC1C(CC(=O)[O-])CCC1[NH2+]CCOC1=CC=CC=C1OCC(F)(F)F	REAL300018664626	0	50	0.0	-68.47	397.67	9.75	-58.72
CC1(C(=O)[O-])CC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C1	REAL300018664627	0	44	0.0	-59.47	365.74	8.46	-51.01
CN1C=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C(C(=O)[O-])=N1	REAL300018664628	0	44	0.0	-53.16	381.09	7.60	-45.56
CCC1=C(C(=O)[O-])C=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)O1	REAL300018664629	0	47	0.0	-73.12	403.68	9.52	-63.60
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CCOC1=CC=CC=C1OCC(F)(F)F	REAL300018664630	0	55	0.0	-73.38	433.63	10.70	-62.68
O=C([O-])C1=CC=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)N=C1	REAL300018664631	0	43	0.0	-77.33	376.29	7.93	-69.40
CN1N=C(C(=O)[O-])C=C1C[NH2+]CCOC1=CC=CC=C1OCC(F)(F)F	REAL300018664632	0	44	0.0	-84.19	383.00	7.42	-76.77
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O=C([O-])CCC1CC([NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C1	REAL300018664635	0	47	0.0	-67.85	390.96	9.58	-58.27
O=C([O-])C1=CC=C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C=N1	REAL300018664636	0	43	0.0	-87.51	376.86	7.97	-79.54
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CCOC1=CC=CC=C1OCC(F)(F)F	REAL300018664637	0	46	0.0	-88.19	392.08	8.59	-79.60
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)C1	REAL300018664638	0	47	0.0	-73.32	385.71	9.41	-63.91
O=C([O-])C1=CC=C(O)C(C[NH2+]CCOC2=CC=CC=C2OCC(F)(F)F)=C1	REAL300018664639	0	45	0.0	-70.14	388.74	7.16	-62.98
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C1	REAL300018664640	0	46	0.0	-86.08	350.11	11.90	-74.18
O=C([O-])C1=CC=CC=C1C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664641	0	53	0.0	-67.27	406.29	14.41	-52.86
CC1=C(C(=O)[O-])C=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664642	0	46	0.0	-73.89	351.16	10.84	-63.05
O=C([O-])C1=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=CO1	REAL300018664643	0	43	0.0	-38.24	334.57	9.94	-28.30
O=C([O-])CN1CCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)CC1	REAL300018664644	0	51	0.0	-63.43	369.81	8.93	-54.50
O=C([O-])C1=COC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664645	0	43	0.0	-74.49	333.11	10.12	-64.37
O=C([O-])C1CCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)CC1	REAL300018664646	0	49	0.0	-53.37	349.18	11.19	-42.18
O=C([O-])CN1C=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)N=N1	REAL300018664647	0	45	0.0	-73.31	346.85	8.72	-64.59
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664648	0	43	0.0	-75.34	332.86	10.38	-64.96
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664649	0	43	0.0	-75.34	332.86	10.38	-64.96
CC(C)(CC[NH2+]CC1(C2=CC=CC=C2F)CCCC1)C(=O)[O-]	REAL300018664650	0	48	0.0	-66.51	345.01	10.67	-55.84
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)O2)C=C1	REAL300018664651	0	53	0.0	-88.99	410.05	13.75	-75.24
O=C([O-])C1=CC=C(C2=CC=C(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)O2)C=C1	REAL300018664652	0	53	0.0	-88.99	410.05	13.75	-75.24
O=C([O-])C1CCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)CC1	REAL300018664653	0	49	0.0	-53.37	349.18	11.19	-42.18
O=C([O-])C1=CC=CC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664654	0	46	0.0	-76.63	350.12	11.88	-64.75
O=C([O-])C1=NN(C2=CC=CC=C2)C=C1C[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664655	0	53	0.0	-58.09	404.89	13.13	-44.96
O=C([O-])C1=NNC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664656	0	43	0.0	-84.00	331.46	8.32	-75.68
CC1=CC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=CC(C)=C1OCC(=O)[O-]	REAL300018664657	0	56	0.0	-88.32	422.98	13.62	-74.70
O=C([O-])CCCN1CCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)CC1	REAL300018664658	1	57	0.0	-69.67	412.62	10.23	-59.44
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664659	0	55	0.0	-77.45	413.47	11.60	-65.85
O=C([O-])COC1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C1	REAL300018664660	0	50	0.0	-84.24	381.17	12.18	-72.06
O=C([O-])COC1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C1	REAL300018664661	0	50	0.0	-84.24	381.17	12.18	-72.06
O=C([O-])C1=CC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=CS1	REAL300018664662	0	43	0.0	-75.11	340.65	10.93	-64.18
O=C([O-])CC1CCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)CC1	REAL300018664663	0	52	0.0	-57.55	367.57	11.84	-45.71
O=C([O-])C1=NOC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664664	0	42	0.0	-71.52	334.82	9.18	-62.34
O=C([O-])C1=CC=CC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=N1	REAL300018664665	0	45	0.0	-75.02	345.95	10.05	-64.97
O=C([O-])C1=NOC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664666	0	42	0.0	-71.52	334.82	9.18	-62.34
CC([NH2+]CC1(C2=CC=CC=C2F)CCCC1)C1CC1C(=O)[O-]	REAL300018664667	0	46	0.0	-56.62	346.07	10.66	-45.96
O=C([O-])CC1CC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664668	0	46	0.0	-64.51	337.95	10.90	-53.61
CC(OC1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C1)C(=O)[O-]	REAL300018664669	0	53	0.0	-84.53	399.83	12.78	-71.75
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C1	REAL300018664670	0	53	0.0	-82.58	408.63	11.89	-70.69
CC1CC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)CCC1C(=O)[O-]	REAL300018664671	0	52	0.0	-71.09	357.93	11.44	-59.65
O=C([O-])C=CC1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664672	0	47	0.0	-87.13	367.41	9.99	-77.14
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664673	0	52	0.0	-58.89	380.53	12.04	-46.85
O=C([O-])C(F)(F)C1CCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664674	0	49	0.0	-63.10	371.66	11.42	-51.68
CC1=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C(C(=O)[O-])O1	REAL300018664675	0	46	0.0	-78.56	351.85	11.04	-67.52
CC1=C(C(=O)[O-])OC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664676	0	46	0.0	-75.53	350.89	10.99	-64.54
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=C1Cl	REAL300018664677	0	46	0.0	-85.58	362.62	12.28	-73.30
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664678	0	54	0.0	-52.05	376.85	11.76	-40.29
CC1C(CC(=O)[O-])CCC1[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664679	0	52	0.0	-64.72	374.61	12.08	-52.64
CC1(C(=O)[O-])CC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664680	0	46	0.0	-58.37	344.00	10.41	-47.96
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C(C(F)(F)F)=C1	REAL300018664681	0	49	0.0	-73.75	377.51	12.81	-60.94
CN1C=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C(C(=O)[O-])=N1	REAL300018664682	0	46	0.0	-46.70	356.83	9.51	-37.19
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664683	0	49	0.0	-74.29	372.65	11.64	-62.65
O=C([O-])CCCC1CCCC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664684	0	58	0.0	-62.54	411.48	13.37	-49.17
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664685	0	57	0.0	-67.43	410.34	12.59	-54.84
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)N=C1	REAL300018664686	0	45	0.0	-76.54	345.25	10.05	-66.49
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664687	0	53	0.0	-59.04	396.49	13.13	-45.91
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664688	0	46	0.0	-87.68	351.89	9.55	-78.13
O=C([O-])CCC1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)O1	REAL300018664689	0	49	0.0	-75.82	374.85	11.76	-64.06
O=C([O-])C1=CC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=CC=C1F	REAL300018664690	0	46	0.0	-83.81	354.66	11.92	-71.89
O=C([O-])CCC1CC([NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664691	0	49	0.0	-70.12	359.72	11.68	-58.44
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)=C2)S1	REAL300018664692	0	46	0.0	-87.44	378.29	12.57	-74.87
O=C([O-])C1=C2N=CC(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)=CN2N=C1	REAL300018664693	0	48	0.0	-105.74	372.91	10.84	-94.90
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C=N1	REAL300018664694	0	45	0.0	-89.00	345.82	10.10	-78.90
O=C([O-])C1=CC(F)=C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C(F)=C1	REAL300018664695	0	46	0.0	-68.52	360.67	11.94	-56.58
O=C([O-])C1=CN2C(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)=CN=C2C=C1	REAL300018664696	0	49	0.0	-68.83	376.96	12.31	-56.52
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1(C2=CC=CC=C2F)CCCC1	REAL300018664697	0	48	0.0	-88.64	361.08	10.71	-77.93
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664698	0	49	0.0	-72.86	353.63	11.56	-61.30
O=C([O-])C1=CN=C2C(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)=CC=CN12	REAL300018664699	0	49	0.0	-83.48	374.80	12.16	-71.32
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC3(C4=CC=CC=C4F)CCCC3)=N2)C1	REAL300018664700	0	53	0.0	-64.10	403.78	11.28	-52.82
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)C1	REAL300018664701	0	53	0.0	-78.16	404.93	11.54	-66.62
O=C([O-])C1=CC(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=CC(C(F)(F)F)=C1	REAL300018664702	0	49	0.0	-76.04	389.16	12.87	-63.17
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2(C3=CC=CC=C3F)CCCC2)=C1	REAL300018664703	0	47	0.0	-72.64	357.60	9.28	-63.36
O=C([O-])C1=CC=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C=C1	REAL300018664704	1	39	0.0	-87.44	342.63	9.97	-77.47
O=C([O-])CN1CCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)CC1	REAL300018664708	0	44	0.0	-72.15	355.05	7.21	-64.94
O=C([O-])C[NH+]1CCC(NCC2=NOC(C3=CC=C(F)C=C3)=C2)CC1	REAL300018664708	1	44	0.0	-37.33	355.52	8.18	-29.15
O=C([O-])C1CCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)CC1	REAL300018664710	0	42	0.0	-73.58	341.82	9.34	-64.24
CC(C)(CC[NH2+]CC1=NOC(C2=CC=C(F)C=C2)=C1)C(=O)[O-]	REAL300018664714	0	41	0.0	-68.67	338.16	8.75	-59.92
O=C([O-])C1CCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)CC1	REAL300018664717	0	42	0.0	-73.58	341.82	9.34	-64.24
O=C([O-])C1=CC=CC(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)=C1	REAL300018664718	1	39	0.0	-81.63	342.64	9.96	-71.67
CC1=CC(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)=CC(C)=C1OCC(=O)[O-]	REAL300018664721	1	49	0.0	-89.16	417.78	11.79	-77.37
O=C([O-])CCC[NH+]1CCC(NCC2=NOC(C3=CC=C(F)C=C3)=C2)CC1	REAL300018664722	0	50	0.0	-60.69	398.47	9.53	-51.16
O=C([O-])COC1=CC=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C=C1	REAL300018664724	1	43	0.0	-85.04	373.69	10.24	-74.80
O=C([O-])COC1=CC=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C=C1	REAL300018664725	1	43	0.0	-85.04	373.69	10.24	-74.80
O=C([O-])C1=CC(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)=CS1	REAL300018664726	1	36	0.0	-75.13	333.17	9.02	-66.11
O=C([O-])CC1CCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)CC1	REAL300018664727	0	45	0.0	-72.98	358.89	9.97	-63.01
CC([NH2+]CC1=NOC(C2=CC=C(F)C=C2)=C1)C1CC1C(=O)[O-]	REAL300018664731	0	39	0.0	-44.33	328.05	8.95	-35.38
O=C([O-])CC1CC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664732	0	39	0.0	-67.86	329.52	8.93	-58.93
CC(OC1=CC=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C=C1)C(=O)[O-]	REAL300018664733	1	46	0.0	-85.91	391.56	10.84	-75.07
COC1=C2OC(C(=O)[O-])=CC2=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C=C1	REAL300018664734	1	46	0.0	-88.23	401.21	9.96	-78.27
CC1CC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)CCC1C(=O)[O-]	REAL300018664735	0	45	0.0	-75.46	351.94	9.60	-65.86
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664737	0	45	0.0	-69.15	368.30	10.05	-59.10
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664738	0	42	0.0	-69.18	355.42	9.67	-59.51
O=C([O-])C1=CC=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C=C1Cl	REAL300018664741	1	39	0.0	-87.10	355.14	10.35	-76.75
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300018664742	0	47	0.0	-65.86	360.87	10.27	-55.59
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300018664743	0	45	0.0	-70.53	353.28	10.23	-60.30
CC1(C(=O)[O-])CC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664744	0	39	0.0	-61.59	327.75	8.68	-52.91
O=C([O-])C1=CC=C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C(C(F)(F)F)=C1	REAL300018664745	1	42	0.0	-80.34	371.06	11.03	-69.31
O=C([O-])CCCC1CCCC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664748	0	51	0.0	-77.27	402.74	11.50	-65.77
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=NOC(C2=CC=C(F)C=C2)=C1	REAL300018664749	0	50	0.0	-76.79	395.12	10.91	-65.88
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664751	0	46	0.0	-66.98	381.92	11.41	-55.57
O=C([O-])C1=CC(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)=CC=C1F	REAL300018664754	1	39	0.0	-82.10	347.18	9.99	-72.11
O=C([O-])CCC1CC([NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664755	0	42	0.0	-73.44	352.44	9.79	-63.65
O=C([O-])C1=CC2=C(SC(C[NH2+]CC3=NOC(C4=CC=C(F)C=C4)=C3)=C2)S1	REAL300018664756	1	39	0.0	-88.28	370.87	10.65	-77.63
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)C1	REAL300018664762	0	42	0.0	-76.48	347.12	9.62	-66.86
O=C([O-])C1=CC(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)=CC(C(F)(F)F)=C1	REAL300018664766	1	42	0.0	-79.93	381.68	10.96	-68.97
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2=NOC(C3=CC=C(F)C=C3)=C2)=C1	REAL300018664767	0	40	0.0	-77.41	350.21	7.37	-70.04
COC1=CC(OC(C)C)=CC=C1NC1CC[NH+](CC(=O)[O-])CC1	REAL300018664772	0	49	0.0	-36.89	367.09	7.47	-29.42
COC1=CC(OC(C)C)=CC=C1NC1CC[NH+](CCCC(=O)[O-])CC1	REAL300018664785	0	55	0.0	-59.60	410.88	8.91	-50.69
O=C([O-])C1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=C1	REAL300018664833	0	37	0.0	-80.38	327.47	10.45	-69.93
CC1=C(C(=O)[O-])C=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)O1	REAL300018664834	1	37	0.0	-68.38	331.02	9.46	-58.92
O=C([O-])C1=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=CO1	REAL300018664835	1	34	0.0	-40.77	305.04	8.71	-32.06
O=C([O-])C1=COC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=C1	REAL300018664836	1	34	0.0	-68.31	314.30	8.77	-59.54
O=C([O-])C1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)O1	REAL300018664838	1	34	0.0	-71.11	312.78	9.00	-62.11
O=C([O-])C1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)O1	REAL300018664839	1	34	0.0	-71.11	312.78	9.00	-62.11
CC(C)(CC[NH2+]C1(C2=CC=C(F)C(Br)=C2)CC1)C(=O)[O-]	REAL300018664840	0	39	0.0	-63.35	332.07	9.25	-54.10
O=C([O-])C1=CC=CC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=C1	REAL300018664841	0	37	0.0	-76.73	331.25	10.50	-66.23
O=C([O-])C1=NNC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=C1	REAL300018664842	1	34	0.0	-76.34	311.10	6.94	-69.40
O=C([O-])COC1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=C1	REAL300018664843	0	41	0.0	-78.98	358.54	10.72	-68.26
O=C([O-])COC1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=C1	REAL300018664844	0	41	0.0	-78.98	358.54	10.72	-68.26
O=C([O-])C1=CC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=CS1	REAL300018664845	0	34	0.0	-68.16	321.77	9.56	-58.60
O=C([O-])C1=CC=CC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=N1	REAL300018664847	1	36	0.0	-75.69	327.07	8.68	-67.01
O=C([O-])C=CC1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)O1	REAL300018664849	1	38	0.0	-83.33	347.27	8.60	-74.73
CC1=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=C(C(=O)[O-])O1	REAL300018664850	1	37	0.0	-75.01	332.27	9.64	-65.37
CC1=C(C(=O)[O-])OC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=C1	REAL300018664851	1	37	0.0	-71.20	332.00	9.60	-61.60
O=C([O-])C1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=C1Cl	REAL300018664852	0	37	0.0	-79.45	345.81	10.85	-68.60
CN1C=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C(C(=O)[O-])=N1	REAL300018664853	0	37	0.0	-48.34	327.21	8.27	-40.07
CCC1=C(C(=O)[O-])C=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)O1	REAL300018664854	1	40	0.0	-68.82	352.51	10.25	-58.57
O=C([O-])C1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)N=C1	REAL300018664855	1	36	0.0	-71.62	326.37	8.67	-62.95
CN1N=C(C(=O)[O-])C=C1C[NH2+]C1(C2=CC=C(F)C(Br)=C2)CC1	REAL300018664856	1	37	0.0	-85.30	331.53	8.17	-77.13
O=C([O-])CCC1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)O1	REAL300018664857	1	40	0.0	-72.37	356.02	10.39	-61.98
O=C([O-])C1=CC(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=CC=C1F	REAL300018664858	0	37	0.0	-80.32	337.85	10.49	-69.83
O=C([O-])C1=CC=C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C=N1	REAL300018664859	0	36	0.0	-83.82	323.30	8.64	-75.18
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]C1(C2=CC=C(F)C(Br)=C2)CC1	REAL300018664860	0	39	0.0	-83.81	338.37	9.26	-74.55
O=C([O-])[C@@H]1CC[C@H](C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)C1	REAL300018664861	0	40	0.0	-74.46	340.12	10.14	-64.32
O=C([O-])C1=CC=C(O)C(C[NH2+]C2(C3=CC=C(F)C(Br)=C3)CC2)=C1	REAL300018664862	0	38	0.0	-75.02	337.50	7.87	-67.15
CCCCC(C)[NH2+]CC1=CC=C(C2=CC=CC=C2C(=O)[O-])O1	REAL300018664863	0	45	0.0	-60.81	355.98	11.22	-49.59
CCCCC(C)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018664864	0	45	0.0	-77.60	359.75	10.56	-67.04
CCCCC(C)[NH2+]CC1=CC=C(C2=CC=C(C(=O)[O-])C=C2)O1	REAL300018664865	0	45	0.0	-77.60	359.75	10.56	-67.04
CCCCC(C)[NH2+]CC1=CC=C(C(=O)[O-])C(Br)=C1	REAL300018664866	0	38	0.0	-73.09	316.07	9.19	-63.90
CCCCC(C)[NH2+]CC1=CN=C2C(Br)=CC(C(=O)[O-])=CN12	REAL300018664867	0	41	0.0	-60.29	347.97	9.68	-50.61
CCCCC(C)[NH2+]CC1=CC=CC(C(=O)[O-])=C1Br	REAL300018664868	0	38	0.0	-62.57	310.98	9.12	-53.45
CCCCC(C)[NH2+]CC1=CC(C(=O)[O-])=CC(C(F)(F)F)=C1	REAL300018664869	0	41	0.0	-66.29	338.52	9.68	-56.61
CCCCC(C)[NH2+]CC1=CN=C2C(C(=O)[O-])=CC(Br)=CN12	REAL300018664870	0	41	0.0	-82.33	348.05	9.88	-72.45
CCCCC(C)[NH2+]C1CC(C(=O)[O-])(C2=CC=CC(Br)=C2)C1	REAL300018664871	0	45	0.0	-38.25	357.31	11.05	-27.20
CCCCC(C)[NH2+]CC1=CC(Br)=CC(C(=O)[O-])=C1	REAL300018664872	0	38	0.0	-65.03	321.11	9.30	-55.73
COC1=CC(CC[NH2+]CC2=CC=C(C(=O)[O-])C=C2)=CC(OC)=C1OCC1CC1	REAL300018664873	0	55	0.0	-92.26	448.21	11.25	-81.01
COC1=CC(CC[NH2+]CC2=CC(C(=O)[O-])=C(C)O2)=CC(OC)=C1OCC1CC1	REAL300018664874	0	55	0.0	-80.61	449.27	10.20	-70.41
COC1=CC(CC[NH2+]CC2=C(C(=O)[O-])OC=C2)=CC(OC)=C1OCC1CC1	REAL300018664875	0	52	0.0	-54.62	425.95	9.51	-45.11
COC1=CC(CC[NH2+]C2CCN(CC(=O)[O-])CC2)=CC(OC)=C1OCC1CC1	REAL300018664876	0	60	0.0	-78.81	460.65	8.48	-70.33
COC1=CC(CC[NH2+]CC2=CC(C(=O)[O-])=CO2)=CC(OC)=C1OCC1CC1	REAL300018664877	0	52	0.0	-80.97	431.28	9.49	-71.48
COC1=CC(CC[NH2+]C2CCC(C(=O)[O-])CC2)=CC(OC)=C1OCC1CC1	REAL300018664878	0	58	0.0	-83.27	447.41	10.61	-72.66
COC1=CC(CC[NH2+]CC2=CN(CC(=O)[O-])N=N2)=CC(OC)=C1OCC1CC1	REAL300018664879	0	54	0.0	-80.45	444.96	8.07	-72.38
COC1=CC(CC[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC(OC)=C1OCC1CC1	REAL300018664880	0	52	0.0	-81.58	431.03	9.74	-71.84
COC1=CC(CC[NH2+]CC2=CC=C(C(=O)[O-])O2)=CC(OC)=C1OCC1CC1	REAL300018664881	0	52	0.0	-81.58	431.03	9.74	-71.84
COC1=CC(CC[NH2+]CCC(C)(C)C(=O)[O-])=CC(OC)=C1OCC1CC1	REAL300018664882	0	57	0.0	-74.27	443.17	10.01	-64.26
COC1=CC(CC[NH2+]C2CCC(C(=O)[O-])CC2)=CC(OC)=C1OCC1CC1	REAL300018664883	0	58	0.0	-83.27	447.41	10.61	-72.66
COC1=CC(CC[NH2+]CC2=CC=CC(C(=O)[O-])=C2)=CC(OC)=C1OCC1CC1	REAL300018664884	0	55	0.0	-83.66	448.22	11.23	-72.43
COC1=CC(CC[NH2+]CC2=CC(C(=O)[O-])=NN2)=CC(OC)=C1OCC1CC1	REAL300018664885	0	52	0.0	-90.30	429.63	7.68	-82.62
COC1=CC(CC[NH2+]CC2=CSC(C(=O)[O-])=C2)=CC(OC)=C1OCC1CC1	REAL300018664886	0	52	0.0	-82.06	438.76	10.30	-71.76
COC1=CC(CC[NH2+]C2CCC(CC(=O)[O-])CC2)=CC(OC)=C1OCC1CC1	REAL300018664887	0	61	0.0	-76.90	458.03	11.44	-65.46
COC1=CC(CC[NH2+]CC2=CC(C(=O)[O-])=NO2)=CC(OC)=C1OCC1CC1	REAL300018664888	0	51	0.0	-87.58	425.44	8.79	-78.79
COC1=CC(CC[NH2+]CC2=CC=CC(C(=O)[O-])=N2)=CC(OC)=C1OCC1CC1	REAL300018664889	0	54	0.0	-80.86	444.06	9.41	-71.45
COC1=CC(CC[NH2+]CC2=CC(C(=O)[O-])=NO2)=CC(OC)=C1OCC1CC1	REAL300018664890	0	51	0.0	-87.58	425.44	8.79	-78.79
COC1=CC(CC[NH2+]C(C)C2CC2C(=O)[O-])=CC(OC)=C1OCC1CC1	REAL300018664891	0	55	0.0	-63.62	423.17	9.94	-53.68
COC1=CC(CC[NH2+]C2CC(CC(=O)[O-])C2)=CC(OC)=C1OCC1CC1	REAL300018664892	0	55	0.0	-76.70	435.11	10.21	-66.49
COC1=CC(CC[NH2+]C2CCC(C(=O)[O-])C(C)C2)=CC(OC)=C1OCC1CC1	REAL300018664893	0	61	0.0	-71.43	456.58	11.29	-60.14
COC1=CC(CC[NH2+]CC2=C(C)OC(C(=O)[O-])=C2)=CC(OC)=C1OCC1CC1	REAL300018664894	0	55	0.0	-85.46	450.02	10.40	-75.06
COC1=CC(CC[NH2+]CC2=CC(C)=C(C(=O)[O-])O2)=CC(OC)=C1OCC1CC1	REAL300018664895	0	55	0.0	-81.97	449.00	10.33	-71.64
COC1=CC(CC[NH2+]C(C)CC(C)(C)CC(=O)[O-])=CC(OC)=C1OCC1CC1	REAL300018664896	0	63	0.0	-69.57	466.46	11.53	-58.04
COC1=CC(CC[NH2+]C2CCC(CC(=O)[O-])C2C)=CC(OC)=C1OCC1CC1	REAL300018664897	0	61	0.0	-80.83	458.87	11.49	-69.34
COC1=CC(CC[NH2+]C2CC(C)(C(=O)[O-])C2)=CC(OC)=C1OCC1CC1	REAL300018664898	0	55	0.0	-70.71	435.07	9.99	-60.72
COC1=CC(CC[NH2+]CC2=CN(C)N=C2C(=O)[O-])=CC(OC)=C1OCC1CC1	REAL300018664899	0	55	0.0	-63.22	448.16	9.07	-54.15
COC1=CC(CC[NH2+]CC2=CC=C(C(=O)[O-])C=N2)=CC(OC)=C1OCC1CC1	REAL300018664900	0	54	0.0	-82.76	443.36	9.41	-73.35
COC1=CC(CC[NH2+]CC2=CC(C(=O)[O-])=NN2C)=CC(OC)=C1OCC1CC1	REAL300018664901	0	55	0.0	-94.50	449.93	8.94	-85.56
COC1=CC(CC[NH2+]C2CC(CCC(=O)[O-])C2)=CC(OC)=C1OCC1CC1	REAL300018664902	0	58	0.0	-78.76	458.05	11.05	-67.71
COC1=CC(CC[NH2+]CC2=CC=C(C(=O)[O-])N=C2)=CC(OC)=C1OCC1CC1	REAL300018664903	0	54	0.0	-94.99	443.93	9.44	-85.55
COC1=CC(CC[NH2+]C[C@H]2CC[C@@H](C(=O)[O-])C2)=CC(OC)=C1OCC1CC1	REAL300018664904	0	58	0.0	-83.65	451.23	10.91	-72.74
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=C1	REAL300018664905	0	47	0.0	-82.89	360.13	10.01	-72.88
CC1=C(C(=O)[O-])C=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300018664906	0	47	0.0	-72.87	361.18	8.97	-63.90
O=C([O-])C1=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=CO1	REAL300018664907	0	44	0.0	-50.79	335.79	8.15	-42.64
O=C([O-])CN1CCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300018664908	0	52	0.0	-67.64	371.17	7.15	-60.49
O=C([O-])C1=COC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664909	0	44	0.0	-73.23	343.19	8.26	-64.97
O=C([O-])C1CCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300018664910	0	50	0.0	-67.96	356.40	9.23	-58.73
O=C([O-])CN1C=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)N=N1	REAL300018664911	0	46	0.0	-69.47	356.87	6.85	-62.62
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300018664912	0	44	0.0	-70.67	342.94	8.50	-62.17
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300018664913	0	44	0.0	-70.67	342.94	8.50	-62.17
CC(C)(CC[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1)C(=O)[O-]	REAL300018664914	0	49	0.0	-64.86	355.26	8.76	-56.10
O=C([O-])C1CCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300018664915	0	50	0.0	-67.96	356.40	9.23	-58.73
O=C([O-])C1=CC=CC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664916	0	47	0.0	-71.95	360.31	9.98	-61.97
O=C([O-])C1=NNC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664917	0	44	0.0	-79.87	341.53	6.46	-73.41
O=C([O-])CCCN1CCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300018664918	1	58	0.0	-71.09	412.44	8.28	-62.81
CC1=NN(CCC(=O)[O-])C(C)=C1C[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1	REAL300018664919	0	56	0.0	-73.70	424.48	9.74	-63.96
O=C([O-])COC1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=C1	REAL300018664920	0	51	0.0	-80.98	391.19	10.28	-70.70
O=C([O-])COC1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=C1	REAL300018664921	0	51	0.0	-80.98	391.19	10.28	-70.70
O=C([O-])C1=CC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=CS1	REAL300018664922	0	44	0.0	-75.42	350.67	9.06	-66.36
O=C([O-])CC1CCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)CC1	REAL300018664923	0	53	0.0	-68.22	374.79	9.88	-58.34
O=C([O-])C1=NOC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664924	0	43	0.0	-79.64	337.34	7.55	-72.09
O=C([O-])C1=CC=CC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=N1	REAL300018664925	0	46	0.0	-69.00	355.96	8.17	-60.83
O=C([O-])C1=NOC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664926	0	43	0.0	-79.64	337.34	7.55	-72.09
CC([NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1)C1CC1C(=O)[O-]	REAL300018664927	0	47	0.0	-47.56	334.75	8.63	-38.93
O=C([O-])CC1CC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664928	0	47	0.0	-63.22	345.05	8.85	-54.37
CC(OC1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=C1)C(=O)[O-]	REAL300018664929	0	54	0.0	-81.34	409.86	10.93	-70.41
CC1CC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)CCC1C(=O)[O-]	REAL300018664930	0	53	0.0	-58.74	366.83	9.55	-49.19
O=C([O-])C=CC1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300018664931	0	48	0.0	-81.94	377.43	8.09	-73.85
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664932	0	53	0.0	-66.75	387.68	10.06	-56.69
O=C([O-])C(F)(F)C1CCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664933	0	50	0.0	-66.46	368.22	9.51	-56.95
CC1=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=C(C(=O)[O-])O1	REAL300018664934	0	47	0.0	-72.57	360.78	9.14	-63.43
CC1=C(C(=O)[O-])OC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664935	0	47	0.0	-70.75	360.90	9.09	-61.66
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=C1Cl	REAL300018664936	0	47	0.0	-81.97	372.63	10.39	-71.58
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1	REAL300018664937	0	55	0.0	-56.28	374.11	10.16	-46.12
CC1C(CC(=O)[O-])CCC1[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1	REAL300018664938	0	53	0.0	-68.68	379.13	9.89	-58.79
CC1(C(=O)[O-])CC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664939	0	47	0.0	-52.00	342.39	8.57	-43.43
CN1C=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C(C(=O)[O-])=N1	REAL300018664940	0	47	0.0	-60.04	358.33	7.74	-52.30
CCC1=C(C(=O)[O-])C=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300018664941	0	50	0.0	-73.38	382.66	9.76	-63.62
O=C([O-])CCCC1CCCC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664942	0	59	0.0	-73.36	418.65	11.42	-61.94
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1	REAL300018664943	0	58	0.0	-71.55	412.22	10.92	-60.63
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)N=C1	REAL300018664944	0	46	0.0	-72.41	355.26	8.16	-64.25
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664945	0	54	0.0	-57.57	399.60	11.44	-46.13
CN1N=C(C(=O)[O-])C=C1C[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1	REAL300018664946	0	47	0.0	-86.96	361.99	7.67	-79.29
O=C([O-])CCC1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)O1	REAL300018664947	0	50	0.0	-71.68	384.92	9.88	-61.80
O=C([O-])C1=CC(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=CC=C1F	REAL300018664948	0	47	0.0	-84.19	364.68	10.03	-74.16
O=C([O-])CCC1CC([NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664949	0	50	0.0	-65.54	369.01	9.73	-55.81
O=C([O-])C1=C2N=CC(C[NH2+]CC3(C4=CC=CC(F)=C4)CCOCC3)=CN2N=C1	REAL300018664950	0	49	0.0	-101.44	382.93	8.95	-92.49
O=C([O-])C1=CC=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C=N1	REAL300018664951	0	46	0.0	-85.13	355.84	8.21	-76.92
O=C([O-])C1=CC(F)=C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C(F)=C1	REAL300018664952	0	47	0.0	-66.16	370.87	10.04	-56.12
O=C([O-])C1=CN2C(C[NH2+]CC3(C4=CC=CC(F)=C4)CCOCC3)=CN=C2C=C1	REAL300018664953	0	50	0.0	-63.65	386.98	10.42	-53.23
CC1=CC(C(=O)[O-])=NC=C1C[NH2+]CC1(C2=CC=CC(F)=C2)CCOCC1	REAL300018664954	0	49	0.0	-83.16	368.50	8.66	-74.50
O=C([O-])[C@@H]1CC[C@H](C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664955	0	50	0.0	-75.11	363.78	9.63	-65.48
O=C([O-])C1=CN=C2C(C[NH2+]CC3(C4=CC=CC(F)=C4)CCOCC3)=CC=CN12	REAL300018664956	0	50	0.0	-79.50	385.80	9.72	-69.78
O=C([O-])[C@H]1C[C@H](N2C=CC(C[NH2+]CC3(C4=CC=CC(F)=C4)CCOCC3)=N2)C1	REAL300018664957	0	54	0.0	-71.41	407.12	9.61	-61.80
O=C([O-])[C@H]1C[C@H](N2N=CC=C2C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)C1	REAL300018664958	0	54	0.0	-89.99	407.95	9.89	-80.10
O=C([O-])C1=CC=C(O)C(C[NH2+]CC2(C3=CC=CC(F)=C3)CCOCC2)=C1	REAL300018664959	0	48	0.0	-73.61	367.70	7.41	-66.20
O=C([O-])C1=CC=C(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300018664960	1	39	0.0	-85.02	352.96	10.41	-74.61
O=C([O-])CN1CCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300018664963	0	44	0.0	-69.70	365.38	7.65	-62.05
O=C([O-])C[NH+]1CCC(NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300018664963	1	44	0.0	-36.22	365.85	8.62	-27.60
O=C([O-])C1CCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300018664965	0	42	0.0	-71.25	352.15	9.78	-61.47
CC(C)(CC[NH2+]CC1=NOC(C2=CC=CC(Cl)=C2)=C1)C(=O)[O-]	REAL300018664969	0	41	0.0	-66.55	348.49	9.20	-57.35
O=C([O-])C1CCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300018664970	0	42	0.0	-71.25	352.15	9.78	-61.47
O=C([O-])C1=CC=CC(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=C1	REAL300018664971	1	39	0.0	-78.70	352.96	10.40	-68.30
O=C([O-])CCC[NH+]1CCC(NCC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300018664973	0	50	0.0	-59.19	408.80	9.98	-49.21
O=C([O-])COC1=CC=C(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300018664975	1	43	0.0	-82.56	384.02	10.68	-71.88
O=C([O-])COC1=CC=C(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1	REAL300018664976	1	43	0.0	-82.56	384.02	10.68	-71.88
O=C([O-])C1=CC(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)=CS1	REAL300018664977	1	36	0.0	-73.40	343.50	9.46	-63.94
O=C([O-])CC1CCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)CC1	REAL300018664978	0	45	0.0	-70.36	369.22	10.41	-59.95
CC([NH2+]CC1=NOC(C2=CC=CC(Cl)=C2)=C1)C1CC1C(=O)[O-]	REAL300018664982	0	39	0.0	-43.93	338.39	9.39	-34.54
O=C([O-])CC1CC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300018664983	0	39	0.0	-65.45	339.84	9.37	-56.08
CC(OC1=CC=C(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1)C(=O)[O-]	REAL300018664984	1	46	0.0	-83.40	401.89	11.28	-72.12
CC1CC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)CCC1C(=O)[O-]	REAL300018664985	0	45	0.0	-59.69	361.60	10.08	-49.61
O=C([O-])C(F)(F)C1CCCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300018664987	0	45	0.0	-67.02	375.46	10.77	-56.25
O=C([O-])C(F)(F)C1CCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300018664988	0	42	0.0	-67.30	365.75	10.11	-57.19
O=C([O-])C1=CC=C(C[NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C=C1Cl	REAL300018664991	1	39	0.0	-84.05	365.47	10.79	-73.26
CC(CC(C)(C)CC(=O)[O-])[NH2+]CC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300018664992	0	47	0.0	-60.23	371.62	10.59	-49.64
CC1C(CC(=O)[O-])CCC1[NH2+]CC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300018664993	0	45	0.0	-70.92	374.78	10.51	-60.41
CC1(C(=O)[O-])CC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300018664994	0	39	0.0	-60.15	338.08	9.12	-51.03
O=C([O-])CCCC1CCCC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300018664997	0	51	0.0	-73.96	406.62	12.16	-61.80
CC(CCCC(C)(C)C(=O)[O-])[NH2+]CC1=NOC(C2=CC=CC(Cl)=C2)=C1	REAL300018664998	0	50	0.0	-73.65	405.45	11.36	-62.29
O=C([O-])C1(C2=CC=CC=C2)CC([NH2+]CC2=NOC(C3=CC=CC(Cl)=C3)=C2)C1	REAL300018665000	0	46	0.0	-48.13	388.89	12.22	-35.91
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300018669112	0	44	0.0	-67.99	369.59	10.67	-57.32
CC1(C)CCCCC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669113	0	50	0.0	-50.82	362.86	10.17	-40.65
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-])CC(F)(F)F	REAL300018669115	0	43	0.0	-68.18	379.01	11.03	-57.15
CC(C)=CCCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669116	0	50	0.0	-62.38	391.78	11.07	-51.31
CC1(C)CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC(C)(C)C1	REAL300018669117	0	56	0.0	-54.07	406.62	11.04	-43.03
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669118	0	54	0.0	-68.89	431.74	12.13	-56.76
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=C1OC	REAL300018669119	0	49	0.0	-69.29	417.48	9.75	-59.54
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CS2)C=C1)CC(F)(F)F	REAL300018669120	0	48	0.0	-68.06	410.23	12.58	-55.48
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2S1)CC(F)(F)F	REAL300018669121	0	44	0.0	-65.62	379.82	11.49	-54.13
CC(C)OC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669122	0	51	0.0	-66.81	412.50	10.85	-55.96
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1F	REAL300018669123	0	44	0.0	-69.51	369.15	10.64	-58.87
CC1CCC(C)C([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669124	0	50	0.0	-61.78	372.85	10.39	-51.39
O=C([O-])C(CCCC[NH2+]CC1=C2NC=CC2=CC=C1)CC(F)(F)F	REAL300018669125	0	45	0.0	-66.73	373.79	9.95	-56.78
O=C([O-])C(CCCC[NH2+]CC1=CSC([N+](=O)[O-])=C1)CC(F)(F)F	REAL300018669126	0	40	0.0	-77.79	362.47	9.74	-68.05
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1N1CCOCC1)CC(F)(F)F	REAL300018669127	0	54	0.0	-64.52	426.99	9.51	-55.01
CC1CC(C)CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669128	0	50	0.0	-63.40	375.96	10.29	-53.11
CC(C)CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669129	0	53	0.0	-64.53	424.06	12.63	-51.90
CC1=CC=C(C2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2)C=C1	REAL300018669130	0	54	0.0	-67.44	438.04	14.03	-53.41
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300018669131	0	47	0.0	-64.51	385.24	11.27	-53.24
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1[N+](=O)[O-]	REAL300018669132	0	47	0.0	-82.45	397.95	10.68	-71.77
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC(Cl)=C1)CC(F)(F)F	REAL300018669133	0	41	0.0	-69.34	375.89	10.95	-58.39
CC1=CC=CC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669134	0	47	0.0	-63.60	376.01	11.03	-52.57
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669135	0	54	0.0	-67.48	438.93	14.04	-53.44
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC(F)F)=C1)CC(F)(F)F	REAL300018669136	0	45	0.0	-69.94	382.13	9.54	-60.40
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OCC	REAL300018669137	0	55	0.0	-70.97	445.33	11.00	-59.97
O=C([O-])C(CCCC[NH2+]CC1=NC=CS1)CC(F)(F)F	REAL300018669138	0	37	0.0	-65.12	327.66	7.10	-58.02
CC(C)C1CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669139	0	53	0.0	-62.74	391.22	11.29	-51.45
O=C([O-])C(CCCC[NH2+]CC1=CN=CN=C1)CC(F)(F)F	REAL300018669140	0	39	0.0	-71.46	332.06	7.95	-63.51
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OC(F)(F)OC2=C1)CC(F)(F)F	REAL300018669141	0	44	0.0	-75.25	382.48	9.06	-66.19
O=C([O-])C(CCCC[NH2+]CC1=CC=NC2=CC=CC=C12)CC(F)(F)F	REAL300018669142	0	46	0.0	-72.01	378.87	10.21	-61.80
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC(F)(F)F)=C1)CC(F)(F)F	REAL300018669143	0	45	0.0	-69.60	388.43	9.74	-59.86
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669144	0	47	0.0	-76.66	403.55	7.48	-69.18
CC(CCOCC1=CC=CC=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669145	0	54	0.0	-65.16	433.86	11.37	-53.79
O=C([O-])C(CCCC[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)CC(F)(F)F	REAL300018669146	0	48	0.0	-69.04	402.87	12.24	-56.80
CC(C)CCCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669147	0	52	0.0	-61.80	400.04	11.10	-50.70
CCCCC(CC)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669148	0	49	0.0	-61.39	378.75	10.45	-50.94
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C12	REAL300018669149	0	51	0.0	-68.57	412.19	11.45	-57.12
CCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669150	0	44	0.0	-62.81	376.02	10.63	-52.18
O=C([O-])C(CCCC[NH2+]CC1=CCCOC1)CC(F)(F)F	REAL300018669151	0	43	0.0	-65.09	349.86	7.78	-57.31
CN1C2=CC=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669152	0	47	0.0	-71.79	389.28	10.30	-61.49
O=C([O-])C(CCCC[NH2+]CC1=CC=C2OCCC2=C1)CC(F)(F)F	REAL300018669153	0	46	0.0	-69.10	378.76	9.80	-59.30
O=C([O-])C(CCCC[NH2+]CC1=CSC(Br)=C1)CC(F)(F)F	REAL300018669154	0	38	0.0	-67.90	354.08	9.62	-58.28
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2CCCC2)N=C1)CC(F)(F)F	REAL300018669155	0	52	0.0	-68.56	416.34	9.85	-58.71
CS(=O)(=O)NC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669156	0	49	0.0	-77.34	416.48	6.67	-70.67
O=C([O-])C(CCCC[NH2+]CC1=CN=CS1)CC(F)(F)F	REAL300018669157	0	37	0.0	-67.05	327.62	7.21	-59.84
O=C([O-])C(CCCC[NH2+]CC1=C2C=CNC2=CC=C1)CC(F)(F)F	REAL300018669158	0	45	0.0	-63.78	373.60	9.96	-53.82
CN1C=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669159	0	41	0.0	-70.28	343.02	9.10	-61.18
O=C([O-])C(CCCC[NH2+]CC1=CC=C2C=CNC2=C1)CC(F)(F)F	REAL300018669160	0	45	0.0	-67.32	373.79	9.97	-57.35
CC1=NN(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669161	0	44	0.0	-70.84	364.98	8.09	-62.75
CC(CC1=CC=CS1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669162	0	44	0.0	-60.71	367.99	10.41	-50.30
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OC(F)(F)O2)CC(F)(F)F	REAL300018669163	0	44	0.0	-70.87	382.43	9.05	-61.82
CC1=CC(F)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669164	0	44	0.0	-68.16	363.61	10.64	-57.52
CC1(C)CCC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300018669165	0	55	0.0	-67.82	433.49	11.78	-56.04
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669166	0	56	0.0	-62.54	422.47	12.90	-49.64
CN(C)C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669167	0	49	0.0	-61.59	395.59	9.96	-51.63
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)CC(F)(F)F	REAL300018669168	0	50	0.0	-69.75	411.65	11.59	-58.16
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)CC(F)(F)F	REAL300018669169	0	50	0.0	-71.30	412.29	11.61	-59.69
O=C([O-])C(CCCC[NH2+]CC1=CSC=N1)CC(F)(F)F	REAL300018669170	0	37	0.0	-62.49	327.04	6.95	-55.54
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)CC(F)(F)F	REAL300018669171	0	50	0.0	-71.93	423.76	8.44	-63.49
O=C([O-])C(CCCC[NH2+]C1CCN(C2=CN=CC=N2)CC1)CC(F)(F)F	REAL300018669172	0	51	0.0	-69.75	402.32	7.78	-61.97
O=C([O-])C(CCCC[NH2+]C1CCN(CC2=CC=CC=N2)CC1)CC(F)(F)F	REAL300018669173	0	55	0.0	-67.37	430.46	8.69	-58.68
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1)CC(F)(F)F	REAL300018669174	0	48	0.0	-73.12	408.11	11.24	-61.88
CC1=NNC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669175	0	44	0.0	-67.97	362.90	7.48	-60.49
CC(C)(C)N1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669176	0	50	0.0	-67.57	405.19	9.76	-57.81
CN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669177	0	41	0.0	-70.50	343.05	7.51	-62.99
COC1=CC=CC(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669178	0	52	0.0	-70.16	428.35	9.12	-61.04
O=C([O-])C(CCCC[NH2+]CC1=CN=C(N2CCCC2)N=C1)CC(F)(F)F	REAL300018669179	0	51	0.0	-72.70	411.89	9.84	-62.86
CC(C)C1=NN(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669181	0	50	0.0	-68.50	407.64	9.59	-58.91
COCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669182	0	52	0.0	-67.91	427.41	9.44	-58.47
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018669183	0	45	0.0	-70.68	387.95	9.79	-60.89
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2=CC=CC=N2)=N1)CC(F)(F)F	REAL300018669184	0	46	0.0	-66.02	402.69	8.87	-57.15
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669185	0	53	0.0	-67.87	423.82	11.51	-56.36
COC1=NC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669186	0	44	0.0	-65.43	368.20	6.72	-58.71
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Br)C=N1)CC(F)(F)F	REAL300018669187	0	40	0.0	-65.52	358.72	8.72	-56.80
O=C([O-])C(CCCC[NH2+]CC1=CN=C(N2CCOCC2)S1)CC(F)(F)F	REAL300018669188	0	50	0.0	-68.44	416.11	7.26	-61.18
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=NC=CC=C12)CC(F)(F)F	REAL300018669189	0	46	0.0	-71.94	378.99	10.21	-61.73
CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669190	0	40	0.0	-66.80	349.57	7.93	-58.87
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OCCO2)CC(F)(F)F	REAL300018669191	0	47	0.0	-65.04	385.36	9.15	-55.89
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1OCCCO2)CC(F)(F)F	REAL300018669192	0	50	0.0	-68.27	402.68	9.98	-58.29
O=C([O-])C(CCCC[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)CC(F)(F)F	REAL300018669193	0	48	0.0	-58.56	396.24	12.05	-46.51
O=C([O-])C(CCCC[NH2+]C1CC(C2=CC=CC=C2Cl)C1)CC(F)(F)F	REAL300018669194	0	48	0.0	-64.59	398.90	12.14	-52.45
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)CC(F)(F)F	REAL300018669195	0	49	0.0	-73.75	412.03	11.24	-62.51
O=C([O-])C(CCCC[NH2+]CC1=CN=C(N2CCOCC2)N=C1)CC(F)(F)F	REAL300018669196	0	52	0.0	-73.59	420.57	8.32	-65.27
CCCN1C2=CC=CC=C2N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669197	0	53	0.0	-67.10	428.27	12.02	-55.08
CCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669198	0	51	0.0	-65.51	415.73	10.99	-54.52
CC(CN1C=NC=N1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669199	0	43	0.0	-65.12	351.71	10.34	-54.78
C#CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669200	0	50	0.0	-67.81	421.06	11.49	-56.32
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=C2)=CS1)CC(F)(F)F	REAL300018669201	0	48	0.0	-66.35	408.92	12.54	-53.81
CC1=C2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NC2=NN1	REAL300018669202	0	46	0.0	-78.65	385.49	8.47	-70.18
CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669203	0	42	0.0	-71.79	354.34	7.94	-63.85
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(OC2CCCC2)=C1)CC(F)(F)F	REAL300018669204	0	55	0.0	-65.70	437.23	12.17	-53.53
CCC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669205	0	43	0.0	-66.36	370.61	8.66	-57.70
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1N1C=NC=N1)CC(F)(F)F	REAL300018669206	0	47	0.0	-62.20	387.19	13.05	-49.15
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300018669207	0	50	0.0	-65.86	416.79	9.33	-56.53
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300018669208	0	50	0.0	-68.35	416.80	9.36	-58.99
O=C([O-])C(CCCC[NH2+]CC1=CN=C2C=CC=CN12)CC(F)(F)F	REAL300018669209	0	44	0.0	-72.41	369.27	10.39	-62.02
CN(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669210	0	45	0.0	-66.35	384.49	8.88	-57.47
CC(C)OC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669211	0	51	0.0	-66.06	411.71	10.79	-55.27
CC(C)C1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300018669212	0	46	0.0	-62.00	390.20	8.98	-53.02
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2CC2)=N1)CC(F)(F)F	REAL300018669213	0	44	0.0	-62.82	379.32	9.19	-53.63
CCC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300018669214	0	43	0.0	-62.52	370.92	8.43	-54.09
CC(CCC1=CC=CC(F)=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669215	0	50	0.0	-69.81	406.24	12.15	-57.66
CC1=CC=CC(CCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669216	0	53	0.0	-66.08	421.24	12.74	-53.34
CC1=CC=C(CCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669217	0	53	0.0	-65.45	421.24	12.75	-52.70
O=C([O-])C(CCCC[NH2+]C1CCC(F)(F)CC1)CC(F)(F)F	REAL300018669218	0	44	0.0	-69.41	352.44	9.46	-59.95
CC(C1=CC=CC=C1)N1CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669219	0	56	0.0	-63.76	437.10	10.50	-53.26
O=C([O-])C(CCCC[NH2+]C1CCN(CC2CC2)CC1)CC(F)(F)F	REAL300018669220	1	53	0.0	-64.28	409.35	9.18	-55.10
CC(C)(C)C1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300018669221	0	49	0.0	-61.83	409.13	9.49	-52.34
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2=CSC=C2)=N1)CC(F)(F)F	REAL300018669222	0	44	0.0	-64.11	398.75	9.69	-54.42
O=C([O-])C(CCCC[NH2+]CC1=CC2=NC=CN=C2C=C1)CC(F)(F)F	REAL300018669223	0	45	0.0	-73.58	378.47	8.36	-65.22
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1OC1CCCC1)CC(F)(F)F	REAL300018669224	0	55	0.0	-61.48	436.14	12.21	-49.27
O=C([O-])C(CCCC[NH2+]CC1=CN2C=C(Cl)C=CC2=N1)CC(F)(F)F	REAL300018669225	0	44	0.0	-65.73	386.57	10.98	-54.75
CC(C)(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669226	0	49	0.0	-66.27	409.71	9.75	-56.52
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(C)S1	REAL300018669228	0	44	0.0	-64.17	371.97	10.49	-53.68
CC1=CC=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S2)C=C1	REAL300018669229	0	51	0.0	-65.54	431.67	13.40	-52.14
CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300018669230	0	47	0.0	-62.18	356.19	9.86	-52.32
C#CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669231	0	47	0.0	-69.60	400.01	10.74	-58.86
O=C([O-])C(CCCC[NH2+]C1CCN(CC2=CC=NC=C2)CC1)CC(F)(F)F	REAL300018669232	0	55	0.0	-66.84	429.91	8.76	-58.08
COCCCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669234	0	55	0.0	-67.21	449.40	10.06	-57.15
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1SC	REAL300018669235	0	49	0.0	-70.96	411.34	10.29	-60.67
CCOCC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1OC	REAL300018669236	0	55	0.0	-65.76	446.46	10.17	-55.59
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=C2)=NN1)CC(F)(F)F	REAL300018669237	0	48	0.0	-73.10	402.27	9.89	-63.21
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669238	0	50	0.0	-70.58	421.08	10.92	-59.66
C=CCCC(CC)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669239	0	47	0.0	-62.22	370.46	10.22	-52.00
CCN1C=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669240	0	44	0.0	-65.76	364.61	9.21	-56.55
CCCC(CC1=CC=CC=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669241	0	53	0.0	-61.66	416.74	12.69	-48.97
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=CC=C2)N=N1)CC(F)(F)F	REAL300018669242	0	47	0.0	-69.42	395.33	9.77	-59.65
O=C([O-])C(CCCC[NH2+]CC1=NC(C2=CC=CC=C2)=CS1)CC(F)(F)F	REAL300018669243	0	47	0.0	-67.42	405.57	10.71	-56.71
CCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300018669244	0	50	0.0	-67.97	406.13	9.59	-58.38
C=CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018669245	0	49	0.0	-70.87	422.71	11.30	-59.57
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2=CC=CC=C2)S1)CC(F)(F)F	REAL300018669246	0	47	0.0	-67.85	407.46	10.97	-56.88
C=CCC(C)C(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669247	0	47	0.0	-63.26	365.35	9.93	-53.33
COCCC(CC1=CC=CC(F)=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669248	0	54	0.0	-68.25	428.85	10.91	-57.34
CC(C)CCC1CCCC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669249	0	56	0.0	-52.96	418.51	11.93	-41.03
CCCCC1CCCC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669250	0	53	0.0	-62.13	406.67	11.61	-50.52
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2OC(C)CC2=C1	REAL300018669251	0	53	0.0	-64.60	429.30	9.84	-54.76
CN1N=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2=CC=CC=C21	REAL300018669252	0	47	0.0	-67.41	392.37	9.86	-57.55
CN1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669253	0	41	0.0	-63.75	345.74	7.67	-56.08
O=C([O-])C(CCCC[NH2+]CC1=C2C=CC=CC2=NN1)CC(F)(F)F	REAL300018669254	0	44	0.0	-74.74	369.32	8.56	-66.18
O=C([O-])C(CCCC[NH2+]CC1=NNC2=CC=CC=C21)CC(F)(F)F	REAL300018669254	1	44	0.0	-66.17	369.96	8.59	-57.58
CN(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300018669255	0	49	0.0	-71.25	403.78	9.51	-61.74
O=C([O-])C(CCCC[NH2+]CC1=NC=CN1CC(F)(F)F)CC(F)(F)F	REAL300018669256	0	44	0.0	-68.91	379.63	9.43	-59.48
CC1(C)CC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C2O1	REAL300018669258	0	52	0.0	-69.34	420.29	11.21	-58.13
CC1=NSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669259	0	40	0.0	-69.03	349.42	8.38	-60.65
O=C([O-])C(CCCC[NH2+]CC1=COC(C2=CC=CC=C2)=N1)CC(F)(F)F	REAL300018669260	0	47	0.0	-66.17	399.08	8.38	-57.79
O=C([O-])C(CCCC[NH2+]CC1=CSC(C2=CC=CS2)=N1)CC(F)(F)F	REAL300018669261	0	44	0.0	-63.99	398.90	9.77	-54.22
CC(CC1=CSC=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669262	0	44	0.0	-62.01	367.87	10.22	-51.79
O=C([O-])C(CCCC[NH2+]CC1CCCCCCC1)CC(F)(F)F	REAL300018669263	0	53	0.0	-64.76	385.10	11.13	-53.63
CC1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669264	0	40	0.0	-65.20	349.45	7.69	-57.51
CC1=CC=CC(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669265	0	51	0.0	-65.85	420.01	10.48	-55.37
CC1=NC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669266	0	43	0.0	-68.21	352.77	8.76	-59.45
CC(CSC(C)(C)C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669267	0	50	0.0	-60.43	398.55	10.74	-49.69
CN(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C	REAL300018669268	0	49	0.0	-70.64	395.35	9.37	-61.27
O=C([O-])C(CCCC[NH2+]CC1=NC(C2=CC=CC=C2)=CN1)CC(F)(F)F	REAL300018669269	0	48	0.0	-69.55	401.79	10.27	-59.28
CC(C)OCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669270	0	47	0.0	-60.29	373.95	8.42	-51.87
CC(C)COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669271	0	54	0.0	-66.56	435.39	11.67	-54.89
COCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669272	0	52	0.0	-69.43	427.41	9.44	-59.99
COCC(CC(C)C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669273	0	50	0.0	-58.93	388.23	8.76	-50.17
CC1(C)CCCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669274	0	53	0.0	-65.26	397.85	11.17	-54.09
CC1=CC(N(C)C)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669275	0	52	0.0	-63.77	408.43	10.96	-52.81
CC1(C)CCCC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669276	0	47	0.0	-60.79	359.10	10.27	-50.52
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCCC2=C1)CC(F)(F)F	REAL300018669277	0	48	0.0	-65.11	388.41	11.87	-53.24
CC1=CC=CC=C1CC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669278	0	50	0.0	-60.67	393.36	11.70	-48.97
CC1=CC=CC(CC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669279	0	50	0.0	-61.72	399.08	11.96	-49.76
COC1=CC2=C(C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])OCO2	REAL300018669280	0	48	0.0	-66.63	396.58	7.96	-58.67
COC1=CC(Cl)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018669281	0	49	0.0	-65.64	413.40	9.64	-56.00
COC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC=C1	REAL300018669282	0	42	0.0	-60.33	362.55	8.35	-51.98
CC(C)COC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669283	0	54	0.0	-66.11	435.83	11.68	-54.43
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C2=CC=CC=C12)CC(F)(F)F	REAL300018669284	0	47	0.0	-70.98	389.39	12.13	-58.85
O=C([O-])C(CCCC[NH2+]CCC1CCOCC1)CC(F)(F)F	REAL300018669285	0	48	0.0	-67.23	375.86	8.49	-58.74
O=C([O-])C(CCCC[NH2+]CC1CCSCC1)CC(F)(F)F	REAL300018669286	0	45	0.0	-68.80	363.01	10.00	-58.80
CC(C)COC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669287	0	54	0.0	-61.65	434.41	11.75	-49.90
O=C([O-])C(CCCC[NH2+]CC1CCCCCC1)CC(F)(F)F	REAL300018669288	0	50	0.0	-64.36	375.35	10.66	-53.70
CC1(C)CC2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2O1	REAL300018669289	0	52	0.0	-62.56	419.73	11.16	-51.40
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=NC=C1Cl)CC(F)(F)F	REAL300018669290	0	40	0.0	-61.88	365.89	8.99	-52.89
O=C([O-])C(CCCC[NH2+]CC1=NC2=C(CCCC2)S1)CC(F)(F)F	REAL300018669291	0	47	0.0	-64.50	390.95	9.69	-54.81
O=C([O-])C(CCCC[NH2+]CC1=CC=NC=C1Br)CC(F)(F)F	REAL300018669292	0	40	0.0	-64.20	353.24	8.75	-55.45
O=C([O-])C(CCCC[NH2+]CC1=CC=NC=C1Cl)CC(F)(F)F	REAL300018669293	0	40	0.0	-65.19	350.07	8.67	-56.52
CC(C)(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1CCOCC1	REAL300018669294	0	53	0.0	-63.10	395.23	6.84	-56.26
CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CCCC1	REAL300018669295	0	50	0.0	-63.04	374.53	10.59	-52.45
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NN1C	REAL300018669296	0	44	0.0	-63.02	364.78	8.12	-54.90
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669297	0	47	0.0	-59.39	391.58	12.15	-47.24
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018669298	0	51	0.0	-65.58	421.75	11.12	-54.46
CCC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669299	0	45	0.0	-71.44	375.38	8.53	-62.91
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(N2C=CC=N2)=C1)CC(F)(F)F	REAL300018669300	0	48	0.0	-69.99	400.79	11.14	-58.85
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NO1	REAL300018669301	0	40	0.0	-64.13	339.35	8.09	-56.04
CCN1C=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669302	0	44	0.0	-67.98	359.20	10.08	-57.90
CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C	REAL300018669303	0	44	0.0	-70.65	363.81	8.95	-61.70
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=NC=C2C=C1)CC(F)(F)F	REAL300018669304	0	46	0.0	-72.02	383.43	10.42	-61.60
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=NNC=C21)CC(F)(F)F	REAL300018669305	0	44	0.0	-74.17	368.99	8.66	-65.51
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=CNN=C21)CC(F)(F)F	REAL300018669306	0	44	0.0	-64.41	368.70	8.63	-55.78
O=C([O-])C(CCCC[NH2+]CC1=CN=C2CCCN12)CC(F)(F)F	REAL300018669307	0	45	0.0	-70.03	368.43	9.53	-60.50
CS(=O)(=O)N1CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669308	0	49	0.0	-77.34	396.16	5.77	-71.57
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C=N1)CC(F)(F)F	REAL300018669309	0	40	0.0	-66.10	343.80	8.20	-57.90
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC=N1	REAL300018669310	0	40	0.0	-66.44	345.95	7.68	-58.76
COC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669311	0	45	0.0	-68.87	378.34	9.31	-59.56
CC(CC1=CN=CC=N1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669312	0	45	0.0	-62.01	365.38	8.33	-53.68
CC(C)(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669313	0	51	0.0	-71.37	414.50	9.91	-61.46
CC1=NOC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669314	0	40	0.0	-69.95	339.35	8.12	-61.83
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CO1	REAL300018669315	0	41	0.0	-64.56	342.79	8.75	-55.81
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(Cl)=C1	REAL300018669316	0	44	0.0	-62.85	376.54	11.05	-51.80
COC1=CC=C(OC(F)F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669317	0	49	0.0	-66.12	409.79	8.86	-57.26
O=C([O-])C(CCCC[NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)CC(F)(F)F	REAL300018669318	0	43	0.0	-81.53	383.10	10.98	-70.55
O=C([O-])C(CCCC[NH2+]CCC1=CC=CC(Cl)=C1)CC(F)(F)F	REAL300018669319	0	44	0.0	-69.50	380.67	11.23	-58.27
O=C([O-])C(CCCC[NH2+]C1CCCC1C1=CC=CC=C1)CC(F)(F)F	REAL300018669320	0	51	0.0	-58.23	392.80	12.60	-45.63
O=C([O-])C(CCCC[NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)CC(F)(F)F	REAL300018669321	0	46	0.0	-63.17	399.39	11.00	-52.17
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)CC(F)(F)F	REAL300018669322	0	46	0.0	-58.24	396.18	10.88	-47.36
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)C2=CC=CN=C12)CC(F)(F)F	REAL300018669323	0	46	0.0	-65.97	387.82	10.52	-55.45
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC2=CC=CN=C21)CC(F)(F)F	REAL300018669324	0	46	0.0	-63.86	388.64	10.55	-53.31
O=C([O-])C(CCCC[NH2+]CC1=CC=C(Cl)C2=CC=CN=C12)CC(F)(F)F	REAL300018669325	0	46	0.0	-65.21	396.65	10.91	-54.30
CS(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669326	0	46	0.0	-76.67	394.64	8.54	-68.13
O=C([O-])C(CCCC[NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)CC(F)(F)F	REAL300018669327	0	43	0.0	-73.31	382.90	11.11	-62.20
CC(C)CCN1C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669328	0	54	0.0	-64.29	429.44	12.33	-51.96
CCC1=CC=C(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O2)C=C1	REAL300018669329	0	54	0.0	-66.38	446.00	13.30	-53.08
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(OC(F)F)=C1	REAL300018669330	0	49	0.0	-69.57	410.23	8.89	-60.68
CCC1CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CCO1	REAL300018669331	0	48	0.0	-65.99	374.85	8.55	-57.44
CC(C)C1CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CCO1	REAL300018669332	0	51	0.0	-66.03	391.86	9.08	-56.95
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300018669333	0	54	0.0	-67.82	443.76	12.00	-55.82
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCCCC2=C1)CC(F)(F)F	REAL300018669334	0	51	0.0	-64.37	405.13	12.43	-51.94
O=C([O-])C(CCCC[NH2+]C1CCC(C2CCCCC2)CC1)CC(F)(F)F	REAL300018669335	0	60	0.0	-63.13	432.84	13.17	-49.96
CC(C)CC(C)CC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669336	0	55	0.0	-62.39	413.89	11.51	-50.88
CC1=CC=C(C(C)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669337	0	50	0.0	-66.60	399.85	11.91	-54.69
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C(C)(C)C	REAL300018669338	0	57	0.0	-66.45	443.09	11.93	-54.52
COCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300018669339	0	45	0.0	-66.90	379.19	7.98	-58.92
CC(C)(C)OC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669340	0	54	0.0	-65.74	422.83	11.07	-54.67
CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CCCCC1	REAL300018669341	0	53	0.0	-64.17	398.72	11.39	-52.78
NS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669342	0	46	0.0	-77.39	396.61	4.91	-72.48
CCC(CC)(CC)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669343	0	52	0.0	-61.81	380.95	10.43	-51.38
CC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300018669344	0	40	0.0	-66.52	340.28	5.52	-61.00
O=C([O-])C(CCCC[NH2+]C1CCC2=CC=CC(Cl)=C2C1)CC(F)(F)F	REAL300018669345	0	48	0.0	-69.55	393.81	11.90	-57.65
CC1=CNC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669346	0	41	0.0	-66.83	344.22	7.29	-59.54
CCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018669347	0	51	0.0	-66.32	408.61	10.79	-55.53
COC1=CC(C)=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669348	0	48	0.0	-61.95	392.42	9.99	-51.96
O=C([O-])C(CCCC[NH2+]CC1CCC2=CC=CC=C2C1)CC(F)(F)F	REAL300018669349	0	51	0.0	-68.50	401.96	12.39	-56.11
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669350	0	43	0.0	-67.92	384.10	9.04	-58.88
O=C([O-])C(CCCC[NH2+]C1CCC(C2=CC=C(F)C=C2)C1)CC(F)(F)F	REAL300018669351	0	51	0.0	-69.05	408.83	12.35	-56.70
CC1=NC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300018669352	0	43	0.0	-68.11	360.00	6.08	-62.03
COCC1=CSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669353	0	45	0.0	-65.39	388.39	8.79	-56.60
CCCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669354	0	47	0.0	-63.20	397.96	11.42	-51.78
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=C1	REAL300018669355	0	43	0.0	-62.51	358.84	8.77	-53.74
O=C([O-])C(CCCC[NH2+]CC1=CC=NS1)CC(F)(F)F	REAL300018669356	0	37	0.0	-68.46	327.23	7.77	-60.69
CC(C)N1C=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669357	0	47	0.0	-64.67	383.28	9.76	-54.91
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300018669358	0	46	0.0	-77.40	380.06	11.06	-66.34
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1Br	REAL300018669359	0	44	0.0	-68.33	381.93	11.13	-57.20
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1Cl	REAL300018669360	0	45	0.0	-71.40	387.95	9.79	-61.61
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300018669361	0	41	0.0	-64.52	354.29	9.69	-54.83
COC1=CC=CC(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669362	0	48	0.0	-61.58	387.17	9.88	-51.70
O=C([O-])C(CCCC[NH2+]CC1=C2OC=CC2=CC=C1)CC(F)(F)F	REAL300018669363	0	44	0.0	-65.57	369.77	10.27	-55.30
O=C([O-])C(CCCC[NH2+]CC1=NN(C2=CC=CC=C2)C=C1)CC(F)(F)F	REAL300018669364	0	48	0.0	-65.66	401.76	11.08	-54.58
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C(F)(F)F)S1)CC(F)(F)F	REAL300018669365	0	40	0.0	-72.99	368.50	8.36	-64.63
CC1CSCC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669366	0	42	0.0	-65.91	344.17	9.11	-56.80
CCC1=NN(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669367	0	47	0.0	-67.94	382.55	9.12	-58.82
O=C([O-])C(CCCC[NH2+]CC1=NN2CCCCC2=C1)CC(F)(F)F	REAL300018669368	0	48	0.0	-62.71	387.03	9.28	-53.43
CCC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669369	0	47	0.0	-64.41	385.31	11.38	-53.03
COC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669370	0	41	0.0	-68.46	360.38	5.56	-62.90
O=C([O-])C(CCCC[NH2+]C1CC2=CC=C(Cl)C=C2C1)CC(F)(F)F	REAL300018669371	0	45	0.0	-70.80	381.39	11.53	-59.27
CC1=NC=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669372	0	42	0.0	-67.56	349.84	6.77	-60.79
O=C([O-])C(CCCC[NH2+]C1CCC2(CC2)CC1)CC(F)(F)F	REAL300018669373	0	48	0.0	-63.89	373.16	10.66	-53.23
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(C=N1)OCCO2)CC(F)(F)F	REAL300018669374	0	46	0.0	-65.76	381.86	7.30	-58.46
O=C([O-])C(CCCC[NH2+]CC1=CN=C2C=CC(Cl)=CN12)CC(F)(F)F	REAL300018669375	0	44	0.0	-70.70	385.99	10.89	-59.81
O=C([O-])C(CCCC[NH2+]C1C[C@@H]2CC[C@@H](C2)C1)CC(F)(F)F	REAL300018669376	0	48	0.0	-63.14	358.61	10.11	-53.03
CC1=CC=CN2C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C12	REAL300018669377	0	47	0.0	-72.14	390.71	10.98	-61.16
CCN1N=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669378	0	43	0.0	-69.68	356.26	9.13	-60.55
CN1C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C1Cl	REAL300018669379	0	41	0.0	-72.73	358.76	8.81	-63.92
CN1C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C1Br	REAL300018669380	0	41	0.0	-72.68	363.06	8.83	-63.85
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=N1)CC(F)(F)F	REAL300018669381	0	47	0.0	-71.44	402.19	9.86	-61.58
O=C([O-])C(CCCC[NH2+]CC1=CC(C(F)(F)F)=NN1)CC(F)(F)F	REAL300018669382	0	41	0.0	-75.93	363.93	7.30	-68.63
CC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C	REAL300018669383	0	44	0.0	-68.50	363.28	8.82	-59.68
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(F)C=CC=C2N1)CC(F)(F)F	REAL300018669384	0	45	0.0	-71.38	381.26	9.98	-61.40
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=C(F)C=C2N1)CC(F)(F)F	REAL300018669385	0	45	0.0	-71.67	380.72	9.96	-61.71
CCOC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669386	0	47	0.0	-65.18	391.45	7.54	-57.64
CC1=C(Cl)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669387	0	44	0.0	-67.09	371.73	11.02	-56.07
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=NC=C2S1)CC(F)(F)F	REAL300018669388	0	43	0.0	-69.97	374.55	9.70	-60.27
CC1=CC=CC2=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N21	REAL300018669389	0	47	0.0	-70.67	379.74	10.76	-59.91
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669390	0	53	0.0	-70.98	426.48	10.67	-60.31
CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CC1(C)C	REAL300018669391	0	50	0.0	-59.72	385.15	10.78	-48.94
C=CCCCCCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669392	0	53	0.0	-62.60	417.22	11.97	-50.63
C=CCCCCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669393	0	50	0.0	-62.70	395.29	11.17	-51.53
CC1=CC(Cl)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669394	0	44	0.0	-67.07	381.01	11.13	-55.94
COCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669395	0	48	0.0	-67.29	397.93	9.69	-57.60
COCC(CC(C)(C)C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669396	0	53	0.0	-58.33	401.92	9.47	-48.86
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC(F)=C2N=C1)CC(F)(F)F	REAL300018669397	0	46	0.0	-78.16	390.29	10.40	-67.76
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=CN=C12	REAL300018669398	0	49	0.0	-71.94	404.11	11.16	-60.78
CC(C)C1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669399	0	53	0.0	-51.72	385.02	11.06	-40.66
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SN=N1	REAL300018669400	0	39	0.0	-73.60	342.04	7.12	-66.48
CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C	REAL300018669401	0	54	0.0	-67.13	435.80	11.73	-55.40
COC1=C(C)C=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300018669402	0	50	0.0	-65.67	404.89	8.75	-56.92
COC1=CC2=CC=CC=C2C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669403	0	51	0.0	-65.05	416.26	11.58	-53.47
O=C([O-])C(CCCC[NH2+]C1CCCCC12CCCC2)CC(F)(F)F	REAL300018669404	0	54	0.0	-59.92	389.74	11.78	-48.14
CCC1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669405	0	50	0.0	-62.25	373.94	10.80	-51.45
CS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669406	0	44	0.0	-75.01	395.96	6.65	-68.36
NC1=C(F)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669407	0	43	0.0	-67.30	358.39	8.08	-59.22
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)F)C=C1)CC(F)(F)F	REAL300018669408	0	44	0.0	-68.83	375.04	10.83	-58.00
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC(Cl)=CN=C2O1)CC(F)(F)F	REAL300018669409	0	43	0.0	-71.35	381.85	7.92	-63.43
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1CCC2)CC(F)(F)F	REAL300018669410	0	48	0.0	-64.26	386.64	11.77	-52.49
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C([N+](=O)[O-])=N1	REAL300018669411	0	43	0.0	-77.89	371.05	9.34	-68.55
O=C([O-])C(CCCC[NH2+]CC1=NC(Cl)=CS1)CC(F)(F)F	REAL300018669412	0	37	0.0	-68.78	344.64	7.52	-61.26
COC1=NSC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669413	0	41	0.0	-70.24	359.74	5.86	-64.38
O=C([O-])C(CCCC[NH2+]CC1=NC=CC2=CC=CC=C21)CC(F)(F)F	REAL300018669414	0	46	0.0	-64.51	380.60	10.25	-54.26
COC1=CC=CC(Cl)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669415	0	45	0.0	-58.30	385.09	9.73	-48.57
CC1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N1C1=CC=CC=C1	REAL300018669416	0	51	0.0	-64.95	421.90	12.24	-52.71
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1C	REAL300018669417	0	44	0.0	-67.29	363.39	8.17	-59.12
CCCN1N=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300018669418	0	53	0.0	-67.88	427.63	10.34	-57.54
CCN(CC)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300018669419	0	55	0.0	-70.36	441.70	11.00	-59.36
CCOC1CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C12CCCC2	REAL300018669420	0	55	0.0	-57.62	420.53	11.24	-46.38
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669421	0	52	0.0	-66.12	418.43	12.50	-53.62
CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CCC1	REAL300018669422	0	47	0.0	-61.50	358.04	10.02	-51.48
O=C([O-])C(CCCC[NH2+]C1CC2CCC(C2)C1)CC(F)(F)F	REAL300018669423	0	48	0.0	-56.50	344.93	10.81	-45.69
O=C([O-])C(CCCC[NH2+]C1CCCC12CCCC2)CC(F)(F)F	REAL300018669424	0	51	0.0	-51.76	374.42	11.22	-40.54
CCCC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=CC=C1	REAL300018669425	0	53	0.0	-67.98	419.91	12.68	-55.30
CC1CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC(C2=CC=CC=C2)C1	REAL300018669426	0	57	0.0	-61.79	422.08	13.92	-47.87
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CC2)O1)CC(F)(F)F	REAL300018669427	0	44	0.0	-67.66	371.14	7.25	-60.41
CC(C)OC1=CC=C(F)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669428	0	51	0.0	-63.25	416.74	10.93	-52.32
CC(C)(C)C1CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669429	0	50	0.0	-63.14	383.14	10.48	-52.66
O=C([O-])C(CCCC[NH2+]CC1=NC2=CC=C(F)C=C2S1)CC(F)(F)F	REAL300018669430	0	43	0.0	-68.44	380.95	9.48	-58.96
O=C([O-])C(CCCC[NH2+]CC1=CC(F)=CC=C1OC(F)F)CC(F)(F)F	REAL300018669431	0	45	0.0	-67.72	386.72	9.66	-58.06
COC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=CC=CC=C21	REAL300018669432	0	51	0.0	-69.72	417.34	11.57	-58.15
CCOC1=CN=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669433	0	47	0.0	-69.19	388.71	8.35	-60.84
CCOC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669434	0	48	0.0	-68.85	400.64	10.25	-58.60
COC1=CC=C(C(C)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669435	0	51	0.0	-69.29	407.92	10.53	-58.76
CN1N=C(C2CC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669436	0	48	0.0	-71.40	394.75	9.60	-61.80
O=C([O-])C(CCCC[NH2+]C1CCC2(CCCCC2)CC1)CC(F)(F)F	REAL300018669438	0	57	0.0	-54.62	404.14	11.61	-43.01
CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)C1=CC=CC=C1	REAL300018669439	0	50	0.0	-64.92	392.96	11.61	-53.31
O=C([O-])C(CCCC[NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)CC(F)(F)F	REAL300018669440	0	49	0.0	-71.46	395.58	11.02	-60.44
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669441	0	56	0.0	-65.15	435.11	10.61	-54.54
COC1=CC=CC2=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC=C12	REAL300018669442	0	51	0.0	-68.68	412.21	11.45	-57.23
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1CC1CC1)CC(F)(F)F	REAL300018669443	0	48	0.0	-67.77	391.87	10.00	-57.77
CC(CCC1=CC=CN=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669444	0	49	0.0	-68.40	394.66	10.29	-58.11
CC(C)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669445	0	50	0.0	-64.64	403.09	11.88	-52.76
CN1N=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669446	0	40	0.0	-73.00	338.59	8.21	-64.79
NS(=O)(=O)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300018669447	0	43	0.0	-75.41	379.78	3.09	-72.32
O=C([O-])C(CCCC[NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)CC(F)(F)F	REAL300018669448	0	52	0.0	-69.14	421.29	12.97	-56.17
O=C([O-])C(CCCC[NH2+]C1CCC2(CCOCC2)CC1)CC(F)(F)F	REAL300018669449	0	55	0.0	-57.37	395.70	9.26	-48.11
COC1=CN=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300018669450	0	47	0.0	-68.70	381.68	8.06	-60.64
NC1=C(Cl)C=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669451	0	43	0.0	-66.58	367.75	8.57	-58.01
CCC1=CNC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669452	0	44	0.0	-66.18	365.20	8.01	-58.17
O=C([O-])C(CCCC[NH2+]CCC1=CC=C(F)C=C1Cl)CC(F)(F)F	REAL300018669453	0	44	0.0	-69.08	384.11	11.19	-57.89
O=C([O-])C(CCCC[NH2+]CC1=CC2=CN=CC=C2O1)CC(F)(F)F	REAL300018669454	0	43	0.0	-70.47	365.04	8.74	-61.73
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)(F)F)S1)CC(F)(F)F	REAL300018669455	0	41	0.0	-69.53	373.73	10.27	-59.26
CC1=C2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NC2=CC=C1	REAL300018669456	0	48	0.0	-69.24	395.27	10.53	-58.71
CCOC1CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669457	0	51	0.0	-62.98	393.55	9.43	-53.55
O=C([O-])C(CCCC[NH2+]CC1=CSC(C(F)(F)F)=C1)CC(F)(F)F	REAL300018669458	0	41	0.0	-70.84	373.04	10.09	-60.75
CCCOC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018669459	0	54	0.0	-66.07	430.05	11.60	-54.47
CC1=C(C)NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669460	0	44	0.0	-65.98	363.52	7.80	-58.18
CC1=CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669461	0	45	0.0	-63.89	354.42	9.90	-53.99
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC1CC1	REAL300018669462	0	53	0.0	-71.69	432.33	10.83	-60.86
O=C([O-])C(CCCC[NH2+]C1CCC2(CCCC2)CC1)CC(F)(F)F	REAL300018669463	0	54	0.0	-64.17	399.24	11.48	-52.69
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)F)N=C1)CC(F)(F)F	REAL300018669464	0	43	0.0	-72.77	372.29	9.04	-63.73
O=C([O-])C(CCCC[NH2+]C1CCC2=CC=CC=C2CC1)CC(F)(F)F	REAL300018669465	0	51	0.0	-65.41	393.55	11.92	-53.49
O=C([O-])C(CCCC[NH2+]CC1=NC=C(Br)S1)CC(F)(F)F	REAL300018669466	0	37	0.0	-66.88	348.91	7.82	-59.06
CCC1(C)CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669467	0	53	0.0	-63.89	389.53	10.69	-53.20
O=C([O-])C(CCCC[NH2+]C1CCCC2=CC=CC=C2C1)CC(F)(F)F	REAL300018669468	0	51	0.0	-67.42	393.73	11.95	-55.47
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)F)=N1	REAL300018669469	0	44	0.0	-66.18	374.54	8.62	-57.56
CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CCCCCC1	REAL300018669470	0	53	0.0	-62.52	386.40	10.99	-51.53
CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018669471	0	53	0.0	-61.94	427.87	12.29	-49.65
CCC1(CC)CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669472	0	56	0.0	-62.99	404.10	11.20	-51.79
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1CCOC2)CC(F)(F)F	REAL300018669473	0	49	0.0	-66.61	389.70	9.93	-56.68
O=C([O-])C(CCCC[NH2+]CC1CC1C1=CC=C(F)C=C1)CC(F)(F)F	REAL300018669474	0	48	0.0	-69.82	393.06	11.88	-57.94
CC(CC1=COC2=CC=CC=C12)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669475	0	50	0.0	-68.69	406.52	11.66	-57.03
NS(=O)(=O)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669476	0	46	0.0	-76.45	397.10	4.90	-71.55
CCCN1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669477	0	47	0.0	-69.22	382.07	9.24	-59.98
CC1=CC=C2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NC2=C1	REAL300018669478	0	48	0.0	-69.03	395.68	10.54	-58.49
O=C([O-])C(CCCC[NH2+]CC1=C2CCCN2N=C1)CC(F)(F)F	REAL300018669479	0	45	0.0	-67.65	368.90	8.55	-59.10
O=C([O-])C(CCCC[NH2+]CC1=NN2CCCC2=C1)CC(F)(F)F	REAL300018669480	0	45	0.0	-63.75	368.98	8.46	-55.29
O=C([O-])C(CCCC[NH2+]CC1=NC=C(C(F)(F)F)S1)CC(F)(F)F	REAL300018669481	0	40	0.0	-69.54	368.22	8.28	-61.26
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(F)=C1OC(F)F)CC(F)(F)F	REAL300018669482	0	45	0.0	-68.71	387.20	9.68	-59.03
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669483	0	49	0.0	-76.43	399.10	11.49	-64.94
O=C([O-])C(CCCC[NH2+]C1CCCCC(C2=CC=CC=C2)C1)CC(F)(F)F	REAL300018669484	0	57	0.0	-65.62	431.48	13.25	-52.37
CC(C)C1CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669485	0	50	0.0	-63.88	384.54	10.73	-53.15
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CN=C2O1)CC(F)(F)F	REAL300018669486	0	43	0.0	-70.96	365.08	7.42	-63.54
O=C([O-])C(CCCC[NH2+]C1CCCC1C1=CC=C(Cl)C=C1)CC(F)(F)F	REAL300018669487	0	51	0.0	-61.38	411.74	13.14	-48.24
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1N1C=NC=N1	REAL300018669488	0	50	0.0	-74.91	417.01	13.49	-61.42
CC1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669489	0	50	0.0	-63.35	372.85	10.33	-53.02
CCC1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669490	0	53	0.0	-63.35	391.37	10.97	-52.38
CC1(C)CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669491	0	53	0.0	-64.48	382.46	10.56	-53.92
CC(C)(C)C1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC1	REAL300018669492	0	59	0.0	-63.67	421.89	11.80	-51.87
CC1CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CCN1C	REAL300018669493	1	49	0.0	-63.92	374.43	7.37	-56.55
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC(F)=CC=C2O1)CC(F)(F)F	REAL300018669494	0	44	0.0	-69.58	376.72	10.54	-59.04
CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1CCCO1	REAL300018669495	0	45	0.0	-61.15	352.00	7.74	-53.41
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OCC(F)F)C=C1)CC(F)(F)F	REAL300018669496	0	48	0.0	-71.41	406.80	10.49	-60.92
COCC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669497	0	48	0.0	-65.93	397.49	9.67	-56.26
CN(C)CC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CS1	REAL300018669498	0	48	0.0	-63.07	405.22	6.68	-56.39
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C(OC(F)F)C=C1C	REAL300018669499	0	51	0.0	-65.91	419.85	10.83	-55.08
CC1=CC=C(CC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669500	0	47	0.0	-67.90	385.78	11.41	-56.49
CCCCC(C)C(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669501	0	52	0.0	-61.35	395.85	10.96	-50.39
COC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC	REAL300018669502	0	52	0.0	-69.47	415.96	9.75	-59.72
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1C1CC1)CC(F)(F)F	REAL300018669503	0	48	0.0	-63.99	385.90	11.97	-52.02
O=C([O-])C(CCCC[NH2+]CCC1=CC=C(F)C=C1F)CC(F)(F)F	REAL300018669504	0	44	0.0	-70.12	376.24	10.83	-59.29
CC1=CC(CC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC(C)=C1	REAL300018669505	0	50	0.0	-68.05	407.20	12.06	-55.99
COC1=CC=C(N2C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N2)C=C1	REAL300018669506	0	52	0.0	-73.11	431.19	10.46	-62.65
CC(CCC1=CSC=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669507	0	47	0.0	-65.94	389.37	11.01	-54.93
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CSC=C1)CC(F)(F)F	REAL300018669508	0	45	0.0	-65.57	389.42	8.82	-56.75
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=N2)=NN1)CC(F)(F)F	REAL300018669509	0	47	0.0	-72.93	398.61	8.19	-64.74
CC(CC1=CN(C)N=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669510	0	47	0.0	-68.72	380.96	9.02	-59.70
CN1N=CC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C21	REAL300018669511	0	46	0.0	-76.31	386.73	9.08	-67.23
CC(CCC1=CC=C(F)C=C1F)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669512	0	50	0.0	-70.09	411.25	12.18	-57.91
COCC(CC1CCOCC1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669513	0	55	0.0	-63.66	421.11	8.15	-55.51
CN1C=C(CCC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669514	0	47	0.0	-70.67	388.69	9.30	-61.37
O=C([O-])C(CCCC[NH2+]C1CCCC1C1=CC=CC=C1Cl)CC(F)(F)F	REAL300018669515	0	51	0.0	-57.60	408.50	13.04	-44.56
CC1CCC2=C(C1)SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N2	REAL300018669516	0	50	0.0	-64.40	411.74	10.30	-54.10
CCC1=CN=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])S1	REAL300018669517	0	43	0.0	-64.39	370.61	8.67	-55.72
O=C([O-])C(CCCC[NH2+]CC1=CC=C(F)N=C1)CC(F)(F)F	REAL300018669518	0	40	0.0	-73.74	343.68	8.10	-65.64
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1N1CCCCC1)CC(F)(F)F	REAL300018669519	0	56	0.0	-61.81	436.68	12.02	-49.79
O=C([O-])C(CCCC[NH2+]C1CCC2COCCC2C1)CC(F)(F)F	REAL300018669520	0	52	0.0	-66.34	394.52	9.30	-57.04
CC1(C)CC2(CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2)CO1	REAL300018669521	0	52	0.0	-68.21	406.45	9.50	-58.71
CC1CC2(CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2)CO1	REAL300018669522	0	49	0.0	-67.44	386.11	8.83	-58.61
O=C([O-])C(CCCC[NH2+]C1CCOC2=CC=CC=C2C1)CC(F)(F)F	REAL300018669523	0	49	0.0	-67.87	387.03	10.20	-57.67
O=C([O-])C(CCCC[NH2+]C1CCCC2=C(C=CS2)C1)CC(F)(F)F	REAL300018669524	0	48	0.0	-58.13	380.53	10.94	-47.19
CN1C=NC2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C21	REAL300018669525	0	47	0.0	-71.60	381.28	11.21	-60.39
COC1=CC=C(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669526	0	48	0.0	-64.47	386.75	9.86	-54.61
O=C([O-])C(CCCC[NH2+]CC1=NOC(C2CCC2)=C1)CC(F)(F)F	REAL300018669527	0	47	0.0	-64.61	388.02	10.21	-54.40
CC1(C2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NO2)CC1	REAL300018669528	0	47	0.0	-64.18	390.01	10.09	-54.09
CCC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669529	0	47	0.0	-63.68	376.35	11.24	-52.44
CC1=CC(F)=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669530	0	44	0.0	-67.65	370.25	10.68	-56.97
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1C	REAL300018669531	0	50	0.0	-63.54	392.42	11.69	-51.85
CC(C)(C)C1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669532	0	53	0.0	-59.65	394.62	12.08	-47.57
O=C([O-])C(CCCC[NH2+]CC1=CN=C2CCCCCN12)CC(F)(F)F	REAL300018669533	0	51	0.0	-70.23	398.89	10.35	-59.88
COC1=CC=C2SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC2=C1	REAL300018669534	0	48	0.0	-67.87	409.80	10.79	-57.08
O=C([O-])C(CCCC[NH2+]CC1=CON=C1C1CC1)CC(F)(F)F	REAL300018669535	0	44	0.0	-71.78	371.02	9.57	-62.21
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=C2)=NO1)CC(F)(F)F	REAL300018669536	0	47	0.0	-72.68	397.39	11.11	-61.57
CCN1CCC2=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C21	REAL300018669537	0	53	0.0	-66.68	422.17	10.58	-56.10
CC1(C)CC2(CO1)CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC2	REAL300018669538	0	58	0.0	-68.23	432.89	10.39	-57.84
CSC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1Cl	REAL300018669539	0	45	0.0	-71.03	397.65	11.41	-59.62
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C1CC1	REAL300018669540	0	51	0.0	-64.79	409.45	12.56	-52.23
COC1=CC=CC2=C1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2	REAL300018669541	0	55	0.0	-59.71	417.54	11.17	-48.54
CCOC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=N1	REAL300018669542	0	47	0.0	-69.81	391.37	7.58	-62.23
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C1CC1	REAL300018669543	0	51	0.0	-64.76	409.46	12.56	-52.20
CC1=NN(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C2)C=C1	REAL300018669544	0	54	0.0	-73.48	438.56	12.28	-61.20
CC(C)CC1CCCC1[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669545	0	53	0.0	-61.81	398.25	11.75	-50.06
O=C([O-])C(CCCC[NH2+]C1CC(C2CCC2)C1)CC(F)(F)F	REAL300018669546	0	48	0.0	-63.93	379.53	10.97	-52.96
O=C([O-])C(CCCC[NH2+]CC1=CN=C(C2CCOCC2)O1)CC(F)(F)F	REAL300018669547	0	51	0.0	-70.04	415.15	6.42	-63.62
O=C([O-])C(CCCC[NH2+]CC1=NOC(C2CC2)=C1)CC(F)(F)F	REAL300018669548	0	44	0.0	-64.34	371.00	9.67	-54.67
CC1OC2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2C1C	REAL300018669549	0	52	0.0	-69.35	416.27	11.06	-58.29
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OC(F)F	REAL300018669550	0	48	0.0	-65.37	401.75	10.27	-55.10
CC(C)C1=CC=C(O)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669551	0	51	0.0	-62.50	411.70	9.17	-53.33
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])NN=C1C(F)(F)F	REAL300018669552	0	44	0.0	-75.04	380.14	7.89	-67.15
O=C([O-])C(CCCC[NH2+]C1CCC2(CCC2)CC1)CC(F)(F)F	REAL300018669553	0	51	0.0	-63.95	385.15	10.97	-52.98
CC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1O	REAL300018669554	0	45	0.0	-66.32	373.52	7.84	-58.48
O=C([O-])C(CCCC[NH2+]CC1=NC(C2CC2)=CS1)CC(F)(F)F	REAL300018669555	0	44	0.0	-65.59	378.51	9.17	-56.42
O=C([O-])C(CCCC[NH2+]CC1=CN(CC2CC2)N=N1)CC(F)(F)F	REAL300018669556	0	47	0.0	-68.57	391.96	8.84	-59.73
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCOC2=C1)CC(F)(F)F	REAL300018669557	0	46	0.0	-67.91	378.28	9.78	-58.13
O=C([O-])C(CCCC[NH2+]CC1=NC2=C(CCCC2)N1)CC(F)(F)F	REAL300018669558	0	48	0.0	-65.92	385.38	9.01	-56.91
O=C([O-])C(CCCC[NH2+]CC1=CC=C2COCCC2=C1)CC(F)(F)F	REAL300018669559	0	49	0.0	-67.05	396.14	10.03	-57.02
CC1=CC=CC(F)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669560	0	44	0.0	-61.70	365.19	10.50	-51.20
O=C([O-])C(CCCC[NH2+]CC1=CC=CC=C1C1CCC1)CC(F)(F)F	REAL300018669561	0	51	0.0	-63.80	401.84	12.40	-51.40
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CCOCC2)=N1	REAL300018669562	0	55	0.0	-72.22	440.66	9.11	-63.11
O=C([O-])C(CCCC[NH2+]CC1=CN=CC(C2=CC=CN=C2)=C1)CC(F)(F)F	REAL300018669563	0	49	0.0	-72.97	407.16	9.81	-63.16
O=C([O-])C(CCCC[NH2+]C1CC(COCC2=CC=CC=C2)C1)CC(F)(F)F	REAL300018669564	0	55	0.0	-66.85	445.47	11.94	-54.91
CSC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669565	0	45	0.0	-66.50	382.65	10.96	-55.54
CC(C)(C)N1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669566	0	50	0.0	-67.53	389.36	9.58	-57.95
O=C([O-])C(CCCC[NH2+]C1CCC2=CC(Cl)=CC=C2C1)CC(F)(F)F	REAL300018669567	0	48	0.0	-70.52	396.90	12.01	-58.51
CC1(C)C2CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC21	REAL300018669568	0	48	0.0	-54.00	361.77	10.26	-43.74
CC(C)C1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N(C)N=C1	REAL300018669569	0	50	0.0	-69.85	404.57	9.43	-60.42
CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)CC1=CC=CC=C1	REAL300018669570	0	56	0.0	-65.09	427.14	13.05	-52.04
CCN1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669571	0	44	0.0	-63.41	367.28	8.54	-54.87
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC2CC2)S1)CC(F)(F)F	REAL300018669572	0	48	0.0	-63.44	408.07	12.21	-51.23
O=C([O-])C(CCCC[NH2+]CC1=CC=C(OC2CC2)C=C1)CC(F)(F)F	REAL300018669573	0	49	0.0	-67.97	403.58	10.93	-57.04
CC1=NC=CN1C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018669574	0	54	0.0	-74.05	437.62	12.96	-61.09
CC1=C(C)N(C2=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C2)C=N1	REAL300018669575	0	54	0.0	-75.10	440.16	13.55	-61.55
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CC2)C(C2CC2)=C1)CC(F)(F)F	REAL300018669576	0	55	0.0	-65.67	437.84	13.99	-51.68
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])OC2=CC=C(F)C=C12	REAL300018669578	0	47	0.0	-69.19	397.58	11.18	-58.01
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669579	0	47	0.0	-60.36	396.98	12.08	-48.28
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669580	0	51	0.0	-73.75	422.94	11.08	-62.67
CCCN1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669581	0	47	0.0	-62.84	388.33	9.28	-53.56
CC(C)N1C=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669582	0	47	0.0	-62.82	385.94	9.04	-53.78
CC(C)(C)C1=CN=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669583	0	52	0.0	-67.73	413.83	10.44	-57.29
CCC(CC)C(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669584	0	49	0.0	-60.40	365.08	10.37	-50.03
O=C([O-])C(CCCC[NH2+]CC1=NN(CC(F)(F)F)C=C1)CC(F)(F)F	REAL300018669585	0	44	0.0	-67.11	384.71	9.02	-58.09
CN1C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NC2=C1CCCC2	REAL300018669586	0	51	0.0	-68.54	405.15	10.62	-57.92
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)=N1	REAL300018669587	0	44	0.0	-70.25	380.87	8.79	-61.46
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669588	0	43	0.0	-63.08	359.43	8.76	-54.32
O=C([O-])C(CCCC[NH2+]CC1=CC2=CC=CC=C2C=N1)CC(F)(F)F	REAL300018669589	0	46	0.0	-63.35	383.58	10.37	-52.98
COC1=NC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CC=C1C	REAL300018669590	0	47	0.0	-65.05	389.73	7.34	-57.71
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(C(F)F)=C1F)CC(F)(F)F	REAL300018669591	0	44	0.0	-69.57	381.46	10.90	-58.67
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1COCC2)CC(F)(F)F	REAL300018669592	0	49	0.0	-66.93	389.16	9.94	-56.99
CCOC1=CC=C(Cl)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669593	0	48	0.0	-63.00	409.59	10.77	-52.23
O=C([O-])C(CCCC[NH2+]CC1=CNN=C1C1=CC=CC(F)=C1)CC(F)(F)F	REAL300018669594	0	48	0.0	-71.39	405.26	9.89	-61.50
O=C([O-])C(CCCC[NH2+]CC1=CC2=C(CCCC2)O1)CC(F)(F)F	REAL300018669595	0	48	0.0	-64.52	387.15	10.79	-53.73
CCC(C)N1N=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669596	0	50	0.0	-70.09	403.75	9.72	-60.37
O=C([O-])C(CCCC[NH2+]CC1=CN(C2CCCCC2)N=C1)CC(F)(F)F	REAL300018669597	0	54	0.0	-66.55	427.08	10.99	-55.56
O=C([O-])C(CCCC[NH2+]C1CC2CCCCC2C1)CC(F)(F)F	REAL300018669598	0	51	0.0	-64.26	386.86	11.19	-53.07
COC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC=C1C(C)(C)C	REAL300018669599	0	57	0.0	-62.10	435.78	11.68	-50.42
CN1C=C(Br)N=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669600	0	41	0.0	-72.09	364.24	8.82	-63.27
COC1=CC(C)=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669601	0	47	0.0	-69.56	385.47	7.20	-62.36
O=C([O-])C(CCCC[NH2+]CC1=NC2=CC=CC=C2S1)CC(F)(F)F	REAL300018669602	0	43	0.0	-66.85	374.53	9.41	-57.44
COC1=CC=CC(C2CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2)=C1	REAL300018669603	0	52	0.0	-58.38	409.00	10.83	-47.55
CC1=NOC(C2CC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C2)=N1	REAL300018669604	0	46	0.0	-72.82	381.48	7.45	-65.37
O=C([O-])C(CCCC[NH2+]C1CC(C2CCOCC2)C1)CC(F)(F)F	REAL300018669605	0	52	0.0	-66.42	403.72	9.69	-56.73
CCCN1C=NC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669606	0	47	0.0	-67.56	380.70	10.84	-56.72
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=C2OCOC2=C1)CC(F)(F)F	REAL300018669607	0	48	0.0	-73.77	399.98	9.91	-63.86
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC2CCC2)C=C1)CC(F)(F)F	REAL300018669608	0	54	0.0	-64.46	433.99	13.48	-50.98
COC1=CC=C(CC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018669609	0	54	0.0	-64.31	422.74	10.98	-53.33
CCC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=NN1CC	REAL300018669610	0	50	0.0	-64.88	401.79	9.86	-55.02
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C(F)(F)F)=CO1	REAL300018669611	0	44	0.0	-62.99	382.21	9.75	-53.24
CC(F)(F)C1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669612	0	47	0.0	-68.53	396.08	11.48	-57.05
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CSC=C2)N=C1)CC(F)(F)F	REAL300018669613	0	47	0.0	-70.27	405.36	10.72	-59.55
CN1C=C(C2=NNC=C2C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669614	0	48	0.0	-70.72	402.99	7.66	-63.06
COC1=CC=C(CCC(C)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C)=C1	REAL300018669615	0	57	0.0	-69.56	444.70	11.85	-57.71
O=C([O-])C(CCCC[NH2+]C1CC2CCCCCC2C1)CC(F)(F)F	REAL300018669616	0	54	0.0	-64.20	394.23	11.49	-52.71
CC1CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC2=CC=CC=C21	REAL300018669617	0	54	0.0	-68.23	403.92	12.20	-56.03
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CSC=C2)C=C1)CC(F)(F)F	REAL300018669618	0	48	0.0	-67.52	408.44	12.38	-55.14
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=CC(Cl)=CC=C21)CC(F)(F)F	REAL300018669619	0	47	0.0	-68.90	400.10	12.58	-56.32
C=CCC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669620	0	48	0.0	-64.69	390.00	11.83	-52.86
COCC1=CC=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669621	0	48	0.0	-66.26	388.86	9.79	-56.47
O=C([O-])C(CCCC[NH2+]CC1=CC=C2CCOCC2=C1)CC(F)(F)F	REAL300018669622	0	49	0.0	-67.44	396.58	10.05	-57.39
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])SC2=CC(F)=CC=C12	REAL300018669623	0	47	0.0	-67.46	403.42	12.09	-55.37
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=NC=C2)=NN1)CC(F)(F)F	REAL300018669624	0	47	0.0	-75.94	397.49	8.13	-67.81
COC1=CC=C(F)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1OC	REAL300018669625	0	49	0.0	-60.73	407.88	9.28	-51.45
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=NC=C1)CC(F)(F)F	REAL300018669626	0	44	0.0	-71.87	368.93	9.49	-62.38
CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CC2)=N1	REAL300018669627	0	51	0.0	-68.32	419.56	10.77	-57.55
CCC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])N=C1	REAL300018669628	0	46	0.0	-62.49	380.32	9.53	-52.96
COC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1OCCO	REAL300018669629	0	53	0.0	-73.67	434.40	6.98	-66.69
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2=CC=NN2C)=N1	REAL300018669630	0	51	0.0	-71.93	427.15	8.87	-63.06
CC(C)(C)C1=NOC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669631	0	49	0.0	-73.30	390.18	9.72	-63.58
O=C([O-])C(CCCC[NH2+]CC1=CC2=CN=CC=C2C=C1)CC(F)(F)F	REAL300018669632	0	46	0.0	-72.12	383.43	10.42	-61.70
CC1=CC2=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C2O1	REAL300018669633	0	47	0.0	-65.23	391.67	11.09	-54.14
O=C([O-])C(CCCC[NH2+]CC1=CC=CC(F)=C1C(F)(F)F)CC(F)(F)F	REAL300018669634	0	44	0.0	-73.33	376.67	11.06	-62.27
O=C([O-])C(CCCC[NH2+]CC1=CON=C1C1CCC1)CC(F)(F)F	REAL300018669635	0	47	0.0	-71.38	387.13	10.02	-61.36
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C(F)(F)F)C=C1F)CC(F)(F)F	REAL300018669636	0	44	0.0	-70.26	387.17	10.99	-59.27
CC(C)OC1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1F	REAL300018669637	0	51	0.0	-72.80	418.39	10.88	-61.92
CC1=NN(C2CCCC2)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1	REAL300018669638	0	54	0.0	-71.16	430.52	11.03	-60.13
O=C([O-])C(CCCC[NH2+]CC1=CC=NN1CC(F)F)CC(F)(F)F	REAL300018669639	0	44	0.0	-76.40	377.86	8.69	-67.71
O=C([O-])C(CCCC[NH2+]CC1=CN(C2=CC=CC(F)=C2)N=C1)CC(F)(F)F	REAL300018669641	0	48	0.0	-70.40	407.67	11.22	-59.18
O=C([O-])C(CCCC[NH2+]CC1=NN(C2CCC2)C=C1)CC(F)(F)F	REAL300018669642	0	48	0.0	-62.74	388.53	9.52	-53.22
O=C([O-])C(CCCC[NH2+]CC1=NN(CC(F)F)C=C1)CC(F)(F)F	REAL300018669643	0	44	0.0	-66.55	380.27	8.83	-57.72
O=C([O-])C(CCCC[NH2+]CC1=NN(C2CC2(F)F)C=C1)CC(F)(F)F	REAL300018669644	0	45	0.0	-66.52	388.34	9.39	-57.13
CC1=CN(C)C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=N1	REAL300018669645	0	44	0.0	-68.77	364.00	8.91	-59.86
O=C([O-])C(CCCC[NH2+]C1CC2CCCC(C2)C1)CC(F)(F)F	REAL300018669646	0	51	0.0	-63.91	376.13	10.73	-53.18
O=C([O-])C(CCCC[NH2+]CC1=NN(C2CCCC2)C=C1)CC(F)(F)F	REAL300018669647	0	51	0.0	-62.61	408.64	10.32	-52.29
O=C([O-])C(CCCC[NH2+]CC1=C2OC=CC2=C(F)C=C1)CC(F)(F)F	REAL300018669648	0	44	0.0	-70.11	376.20	10.34	-59.77
O=C([O-])C(CCCC[NH2+]CC1=C2OC=CC2=CC(Cl)=C1)CC(F)(F)F	REAL300018669649	0	44	0.0	-66.23	386.50	10.78	-55.45
O=C([O-])C(CCCC[NH2+]CC=CC1=CC=CC=C1)CC(F)(F)F	REAL300018669650	0	45	0.0	-67.38	373.91	11.26	-56.12
COC1=CC=C2SC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=NC2=C1	REAL300018669651	0	47	0.0	-69.23	403.62	8.67	-60.56
CN1N=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1C1=CC=CO1	REAL300018669652	0	48	0.0	-66.78	404.50	9.28	-57.50
O=C([O-])C(CCCC[NH2+]CC1=C(Cl)C=CC2=C1OCO2)CC(F)(F)F	REAL300018669653	0	44	0.0	-61.80	382.51	9.01	-52.79
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2CCCCC2)C=C1)CC(F)(F)F	REAL300018669654	0	57	0.0	-64.25	444.28	13.75	-50.50
CC1=NN(C2CCC2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669655	0	51	0.0	-67.99	410.17	10.32	-57.67
COC1=CC=CC=C1C=CC[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669656	0	49	0.0	-67.93	402.28	10.61	-57.32
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=CC=N2)N=C1)CC(F)(F)F	REAL300018669657	0	49	0.0	-72.46	411.61	10.28	-62.18
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669658	0	48	0.0	-74.99	405.73	9.19	-65.80
CC(C)(C)N1CCCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C1	REAL300018669659	0	55	0.0	-63.35	406.08	8.46	-54.89
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CC2=CC=CC=C2)C=C1)CC(F)(F)F	REAL300018669660	0	54	0.0	-65.89	445.22	14.40	-51.49
O=C([O-])C(CCCC[NH2+]CC1=CC(C2=CC=CC=C2)=CC=N1)CC(F)(F)F	REAL300018669661	0	50	0.0	-65.11	412.46	11.56	-53.55
CC1=CC=C(C2CCC([NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])CC2)C=C1	REAL300018669662	0	57	0.0	-66.05	439.97	13.45	-52.60
COC1=CC(C)=CC(OC)=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669663	0	52	0.0	-57.89	420.14	9.32	-48.57
O=C([O-])C(CCCC[NH2+]CC1=CC=C(CF)C=C1)CC(F)(F)F	REAL300018669664	0	44	0.0	-67.32	370.40	10.76	-56.56
O=C([O-])C(CCCC[NH2+]CC1=CC=C2SC=CC2=C1)CC(F)(F)F	REAL300018669665	0	44	0.0	-69.04	379.35	11.32	-57.72
O=C([O-])C(CCCC[NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1)CC(F)(F)F	REAL300018669666	0	50	0.0	-70.57	411.84	11.61	-58.96
CC(CC1=CN(C)N=C1)[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669667	0	47	0.0	-68.72	380.96	9.02	-59.70
O=C([O-])C(CCCC[NH2+]C1CC2CC=CCC2C1)CC(F)(F)F	REAL300018669668	0	49	0.0	-65.38	377.68	11.06	-54.32
CC1=CC=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C(F)(F)F	REAL300018669669	0	47	0.0	-67.48	387.27	11.56	-55.92
C=CCN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=N1	REAL300018669670	0	45	0.0	-69.00	380.01	9.19	-59.81
O=C([O-])C(CCCC[NH2+]CC1=CC2=NNC=C2C=C1)CC(F)(F)F	REAL300018669671	0	44	0.0	-70.67	368.67	8.66	-62.01
CCC(C)C1=CC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=C1	REAL300018669672	0	53	0.0	-64.61	421.54	12.55	-52.06
O=C([O-])C(CCCC[NH2+]C1CCC2(C1)CCOCC2)CC(F)(F)F	REAL300018669673	0	52	0.0	-67.70	393.12	9.21	-58.49
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669674	0	54	0.0	-66.73	441.92	12.47	-54.26
O=C([O-])C(CCCC[NH2+]CC1=CC=CC2=C1CCCC2)CC(F)(F)F	REAL300018669675	0	51	0.0	-64.32	397.82	12.30	-52.02
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669676	0	48	0.0	-69.70	402.92	11.84	-57.86
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2C=CN=N2)C=C1)CC(F)(F)F	REAL300018669677	0	47	0.0	-79.38	395.24	9.87	-69.51
CC1=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C=CC2=CC=CC=C12	REAL300018669678	0	50	0.0	-66.08	399.40	12.69	-53.39
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669679	0	59	0.0	-67.52	468.05	11.61	-55.91
COC1=C2C=CNC2=CC=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669680	0	49	0.0	-64.85	403.81	9.38	-55.47
O=C([O-])C(CCCC[NH2+]CC1=CC=C(N2CCC(O)C2)C=C1)CC(F)(F)F	REAL300018669681	0	54	0.0	-67.39	430.47	6.97	-60.42
CCCN1N=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=C1C	REAL300018669682	0	50	0.0	-66.47	407.10	9.80	-56.67
CC1=CC(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])=CN=C1N1C=CC=N1	REAL300018669683	0	50	0.0	-74.89	415.00	11.30	-63.59
O=C([O-])C(CCCC[NH2+]C1CCC1CC1=CC=CC=C1)CC(F)(F)F	REAL300018669684	0	51	0.0	-65.29	407.52	12.91	-52.38
CCCN1N=C(C)C=C1C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-]	REAL300018669685	0	50	0.0	-71.02	408.83	9.77	-61.25
CN1C=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])C(C2CCC2)=N1	REAL300018669686	0	51	0.0	-68.82	414.03	10.36	-58.46
CC(C)(C)C1=NC=C(C[NH2+]CCCCC(CC(F)(F)F)C(=O)[O-])O1	REAL300018669687	0	49	0.0	-67.27	401.62	7.44	-59.83
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=C1OCC2)C1CCCCO1	REAL300018669689	0	42	0.0	-31.10	339.20	7.37	-23.73
COC1=CC=C(OC2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)C=C2)C=C1	REAL300018669690	0	52	0.0	-37.75	406.99	9.26	-28.49
O=C([O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C(F)=C1)C1CCCCO1	REAL300018669693	0	44	0.0	-44.58	363.85	7.82	-36.76
O=C([O-])C([NH2+]CC=CC1=CC=C(F)C=C1F)C1CCCCO1	REAL300018669694	0	41	0.0	-43.43	329.60	8.27	-35.16
O=C([O-])C([NH2+]CC1=C(Br)C=CS1)C1CCCCO1	REAL300018669695	1	34	0.0	-34.32	299.14	6.61	-27.71
O=C([O-])C([NH2+]CC1=CC(Br)=CC2=C1OCC2)C1CCCCO1	REAL300018669696	0	42	0.0	-31.12	343.77	7.47	-23.65
CC(C)C1=CC=C(CC[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669697	0	49	0.0	-37.93	370.24	9.86	-28.07
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=C(Cl)C=C2)S1)C1CCCCO1	REAL300018669699	0	43	0.0	-36.95	371.23	8.51	-28.44
O=C([O-])C([NH2+]CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1)C1CCCCO1	REAL300018669700	0	56	0.0	-36.83	423.69	10.37	-26.46
C[NH+](C)CC1=CN=C(CNC(C(=O)[O-])C2CCCCO2)S1	REAL300018669701	1	44	0.0	-71.26	353.06	5.19	-66.07
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1)C1CCCCO1	REAL300018669702	0	47	0.0	-39.35	387.03	9.17	-30.18
COCCOCC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669704	0	51	0.0	-36.39	398.04	7.03	-29.36
O=C([O-])C([NH2+]CC1=CC=C(C2CCCC2)C=C1)C1CCCCO1	REAL300018669705	0	50	0.0	-34.59	370.18	10.06	-24.53
O=C([O-])C([NH2+]CC1=CN(CC(F)F)N=C1)C1CCCCO1	REAL300018669706	0	40	0.0	-38.36	322.84	5.85	-32.51
O=C([O-])C([NH2+]CC1=CC=C(C2CCC2)C=C1)C1CCCCO1	REAL300018669707	0	47	0.0	-36.07	355.23	9.55	-26.52
CC1=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)N2C(C3CC3)=CSC2=N1	REAL300018669708	1	47	0.0	-32.58	368.61	9.07	-23.51
O=C([O-])C([NH2+]CC1=CC=NN1C1CCCC1)C1CCCCO1	REAL300018669709	1	47	0.0	-36.70	352.79	7.36	-29.34
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669710	0	47	0.0	-38.48	374.25	8.81	-29.67
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1C(F)(F)F	REAL300018669711	0	43	0.0	-36.77	342.92	8.67	-28.10
O=C([O-])C([NH2+]CC1=CN=NN1C1=CC=CC=C1)C1CCCCO1	REAL300018669712	1	43	0.0	-34.49	338.07	6.77	-27.72
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=C(F)C=C2)N=C1)C1CCCCO1	REAL300018669713	0	47	0.0	-39.18	382.57	7.36	-31.82
O=C([O-])C([NH2+]CC1=CC=C2OCCOC2=C1)C1CCCCO1	REAL300018669714	0	43	0.0	-34.76	331.19	6.21	-28.55
O=C([O-])C([NH2+]CC1=CC=CC(Br)=C1)C1CCCCO1	REAL300018669715	0	37	0.0	-33.73	307.94	7.47	-26.26
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669716	0	45	0.0	-37.25	347.25	6.36	-30.89
O=C([O-])C([NH2+]CC1=CC=CC=C1C(F)(F)F)C1CCCCO1	REAL300018669717	0	40	0.0	-39.71	317.99	8.04	-31.67
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669718	0	48	0.0	-37.76	367.29	7.17	-30.59
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(F)C=C2)O1)C1CCCCO1	REAL300018669719	1	44	0.0	-38.65	353.34	9.01	-29.64
O=C([O-])C([NH2+]CC1=CC(Br)=CS1)C1CCCCO1	REAL300018669720	0	34	0.0	-33.36	300.49	6.85	-26.51
CC1=NN(C)C(Cl)=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669722	0	40	0.0	-33.66	325.64	5.71	-27.95
O=C([O-])C([NH2+]CC1=CC=C(N2C=CC=N2)C=C1)C1CCCCO1	REAL300018669723	0	44	0.0	-43.16	344.99	8.07	-35.09
COC1=NC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669724	0	46	0.0	-40.01	359.33	6.16	-33.85
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC=C1Cl)C1CCCCO1	REAL300018669725	0	40	0.0	-33.34	337.93	8.60	-24.74
O=C([O-])C([NH2+]CC1=CC=C(F)C(Cl)=C1)C1CCCCO1	REAL300018669726	0	37	0.0	-39.73	311.11	7.71	-32.02
O=C([O-])C([NH2+]CC1=CC=C(F)C(C(F)(F)F)=C1)C1CCCCO1	REAL300018669727	0	40	0.0	-42.36	332.82	8.21	-34.15
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1Cl)C1CCCCO1	REAL300018669728	0	37	0.0	-28.63	316.10	8.01	-20.62
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1C(F)(F)F)C1CCCCO1	REAL300018669729	0	40	0.0	-36.83	321.67	8.19	-28.64
O=C([O-])C([NH2+]CC1=CC(F)=CC(C(F)(F)F)=C1)C1CCCCO1	REAL300018669730	0	40	0.0	-38.72	334.94	8.04	-30.68
O=C([O-])C([NH2+]CC1=CC(F)=CC=C1Br)C1CCCCO1	REAL300018669731	0	37	0.0	-29.29	311.16	7.78	-21.51
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)C1CCCCO1	REAL300018669732	0	43	0.0	-38.73	364.43	8.87	-29.86
O=C([O-])C([NH2+]CC1=CC(Cl)=CC=C1F)C1CCCCO1	REAL300018669733	0	37	0.0	-30.92	310.81	7.69	-23.23
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CC=N2)=C1)C1CCCCO1	REAL300018669734	0	46	0.0	-41.33	360.22	9.04	-32.29
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669735	0	52	0.0	-32.02	382.79	7.66	-24.36
O=C([O-])C([NH2+]CC1=CC(Br)=CC(C(F)(F)F)=C1)C1CCCCO1	REAL300018669736	0	40	0.0	-36.73	346.99	8.48	-28.25
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C(Br)=C1	REAL300018669737	0	40	0.0	-26.38	324.40	8.26	-18.12
O=C([O-])C([NH2+]CC1=NC=CC=C1C(F)(F)F)C1CCCCO1	REAL300018669738	0	39	0.0	-35.89	308.71	5.91	-29.98
COC1=CC=C2OC(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CC2=C1	REAL300018669739	1	44	0.0	-39.51	345.85	6.97	-32.54
CC1=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C2=CC=CC=C2O1	REAL300018669740	0	43	0.0	-38.04	334.05	7.97	-30.07
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1Br	REAL300018669741	0	40	0.0	-32.74	328.00	8.34	-24.40
CC1=CN2C(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CN=C2C=C1	REAL300018669742	0	43	0.0	-40.52	337.70	8.04	-32.48
O=C([O-])C([NH2+]CC1=CN=C2C=CSC2=C1)C1CCCCO1	REAL300018669743	0	39	0.0	-40.21	321.35	6.44	-33.77
CC1=CC(Cl)=CC(C)=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669745	0	43	0.0	-31.38	333.46	8.53	-22.85
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(F)=C1)C1CCCCO1	REAL300018669746	0	41	0.0	-40.09	333.99	6.81	-33.28
CC1=NN2C(=NC(C)=C2C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669747	1	42	0.0	-39.59	341.84	6.25	-33.34
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1)C1CCCCO1	REAL300018669748	0	51	0.0	-34.47	404.38	10.40	-24.07
CC(C[NH2+]C(C(=O)[O-])C1CCCCO1)C1=CC=CC(Br)=C1	REAL300018669750	0	43	0.0	-36.64	343.95	8.78	-27.86
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1Cl	REAL300018669751	0	41	0.0	-36.04	346.72	7.23	-28.81
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=NC=C2)C=C1F)C1CCCCO1	REAL300018669752	0	46	0.0	-31.87	361.64	8.73	-23.14
O=C([O-])C([NH2+]CC1CCOC2=CC=CC=C21)C1CCCCO1	REAL300018669753	0	45	0.0	-39.65	334.49	7.50	-32.15
CC(C)(C)C1=NN(CC2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669754	0	59	0.0	-37.34	435.89	11.02	-26.32
O=C([O-])C([NH2+]CC1=CN=C(C2CCCO2)S1)C1CCCCO1	REAL300018669756	1	44	0.0	-37.63	350.68	5.09	-32.54
COC1=C(Br)C=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669757	0	38	0.0	-36.43	329.87	6.05	-30.38
O=C([O-])C([NH2+]CC1=CN=CC(Br)=C1)C1CCCCO1	REAL300018669758	0	36	0.0	-37.92	305.65	5.77	-32.15
O=C([O-])C([NH2+]CCCCC1=CC=CC(C(F)(F)F)=C1)C1CCCCO1	REAL300018669760	0	49	0.0	-40.83	391.74	10.48	-30.35
CCSC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=C1	REAL300018669761	0	44	0.0	-32.49	350.19	9.01	-23.48
O=C([O-])C([NH2+]CCSCC1=CC=CC=C1)C1CCCCO1	REAL300018669762	0	44	0.0	-38.76	354.71	9.26	-29.50
COC1=CC=C(C2=CC=NC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669763	0	50	0.0	-33.69	384.14	8.07	-25.62
O=C([O-])C([NH2+]CCCC1=CC=C2OCCC2=C1)C1CCCCO1	REAL300018669764	0	48	0.0	-39.26	366.19	8.49	-30.77
COC1=C(Br)C=CC=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669765	0	41	0.0	-29.89	336.52	6.92	-22.97
O=C([O-])C([NH2+]CC1=CC(F)=CC(Cl)=C1)C1CCCCO1	REAL300018669766	0	37	0.0	-36.89	309.78	7.44	-29.45
O=C([O-])C([NH2+]CC1=CN(CC2=CC=C(F)C=C2)N=C1)C1CCCCO1	REAL300018669767	0	47	0.0	-42.78	377.34	8.79	-33.99
O=C([O-])C([NH2+]CCCC1=C(F)C=CC=C1Cl)C1CCCCO1	REAL300018669768	0	43	0.0	-35.84	349.66	9.10	-26.74
CC1=NC2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)C=C2C=C1	REAL300018669769	0	45	0.0	-41.46	349.34	7.84	-33.62
CC(C[NH2+]C(C(=O)[O-])C1CCCCO1)C1=CC=CC(Cl)=C1	REAL300018669770	0	43	0.0	-36.77	339.38	8.68	-28.09
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1F)C1CCCCO1	REAL300018669771	0	37	0.0	-38.83	311.09	7.66	-31.17
CC1=CC(C(F)(F)F)=CC=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669773	0	43	0.0	-34.83	342.05	8.76	-26.07
COC1=CC=C2N=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)SC2=C1	REAL300018669774	1	43	0.0	-34.33	348.29	5.68	-28.65
O=C([O-])C([NH2+]CC1=CC(Br)=C(Cl)S1)C1CCCCO1	REAL300018669775	0	34	0.0	-34.92	314.37	7.17	-27.75
CCN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=N1	REAL300018669776	0	47	0.0	-36.99	359.92	7.75	-29.24
COCCN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=N1	REAL300018669777	0	51	0.0	-37.70	391.30	6.93	-30.77
CC(C)N(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=N1	REAL300018669778	0	50	0.0	-36.67	376.20	8.23	-28.44
O=C([O-])C([NH2+]CC1=CC=C(OCC2CC2)C=C1)C1CCCCO1	REAL300018669779	0	48	0.0	-37.02	369.67	8.67	-28.35
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(Br)=C1)C1CCCCO1	REAL300018669781	0	37	0.0	-38.81	324.65	8.22	-30.59
O=C([O-])C([NH2+]CC1=CC=C(Br)C2=CC=CN=C12)C1CCCCO1	REAL300018669783	0	42	0.0	-29.70	346.82	8.20	-21.50
COC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1O	REAL300018669784	0	42	0.0	-32.76	345.10	4.66	-28.10
COC1=CC(C2=CC=CC=C2)=CC=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669786	0	51	0.0	-31.58	390.76	9.95	-21.63
O=C([O-])C([NH2+]CC1=CC=C(SC(F)F)C=C1)C1CCCCO1	REAL300018669787	0	41	0.0	-37.56	339.30	8.23	-29.33
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC=CC(F)=C2)C=C1)C1CCCCO1	REAL300018669789	0	48	0.0	-37.45	382.60	10.01	-27.44
CC(O)C1=NC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669790	1	40	0.0	-36.07	325.57	2.27	-33.80
CC(C)(C)C1=CC=C(CC[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669791	0	52	0.0	-37.26	384.99	10.19	-27.07
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1F	REAL300018669793	0	44	0.0	-40.65	344.28	7.36	-33.29
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CO2)S1)C1CCCCO1	REAL300018669794	1	40	0.0	-37.74	334.48	6.16	-31.58
CSC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669796	0	38	0.0	-35.37	322.01	7.48	-27.89
O=C([O-])C([NH2+]CC1=CC=C(OCCCCl)C=C1)C1CCCCO1	REAL300018669797	0	47	0.0	-37.35	377.50	8.73	-28.62
CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)C=C2)C=N1	REAL300018669798	0	47	0.0	-41.19	366.76	8.16	-33.03
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C(C(F)(F)F)=C1	REAL300018669799	0	48	0.0	-35.74	365.94	8.51	-27.23
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=N1	REAL300018669800	0	51	0.0	-39.77	397.84	9.39	-30.38
O=C([O-])C([NH2+]CC1CCC(C2=CC=CC=C2)CC1)C1CCCCO1	REAL300018669801	0	53	0.0	-36.42	384.96	10.82	-25.60
O=C([O-])C([NH2+]CC(CC1=CC=CC=C1)CC1=CC=CC=C1)C1CCCCO1	REAL300018669802	0	56	0.0	-30.00	413.11	12.66	-17.34
CN1C=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)S2)C=N1	REAL300018669804	0	44	0.0	-37.32	360.59	7.55	-29.77
CC(C[NH2+]C(C(=O)[O-])C1CCCCO1)C1=CC=C(C(F)(F)F)C=C1	REAL300018669805	0	46	0.0	-41.55	364.22	9.25	-32.30
O=C([O-])C([NH2+]CC1=C(Cl)N(CC2=CC=CC=C2)N=C1)C1CCCCO1	REAL300018669806	0	47	0.0	-32.39	387.83	9.13	-23.26
COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=C1OC	REAL300018669807	0	45	0.0	-30.55	345.37	6.13	-24.42
CC1=NN(C)C2=NC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)C=C12	REAL300018669808	0	45	0.0	-38.97	352.96	6.78	-32.19
CN1C=NC2=CC(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CC=C21	REAL300018669809	0	43	0.0	-35.67	335.08	8.40	-27.27
CN1N=NC2=CC(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CC=C21	REAL300018669810	0	42	0.0	-46.96	332.49	5.60	-41.36
O=C([O-])C([NH2+]CCCCCOC1=CC=CC=C1)C1CCCCO1	REAL300018669811	0	50	0.0	-38.10	381.76	9.02	-29.08
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Br)=C1)C1CCCCO1	REAL300018669812	0	41	0.0	-38.67	348.17	7.39	-31.28
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1)C1CCCCO1	REAL300018669813	0	51	0.0	-36.17	408.04	10.37	-25.80
O=C([O-])C([NH2+]CC1=CN(CC2=CC=C(C(F)(F)F)C=C2)N=C1)C1CCCCO1	REAL300018669814	0	50	0.0	-43.98	411.49	9.83	-34.15
COCC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669815	0	51	0.0	-35.80	390.39	7.33	-28.47
O=C([O-])C([NH2+]CC1=CC=NN1CCC1=CC=CC=C1)C1CCCCO1	REAL300018669816	1	50	0.0	-36.15	385.76	9.17	-26.98
NS(=O)(=O)C1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1Cl	REAL300018669817	0	42	0.0	-49.88	356.80	2.44	-47.44
O=C([O-])C([NH2+]CC1=CC=C(OC2CCOC2)C=C1)C1CCCCO1	REAL300018669818	0	49	0.0	-36.14	372.85	6.72	-29.42
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2F)S1)C1CCCCO1	REAL300018669819	1	43	0.0	-36.63	356.22	8.32	-28.31
COC1=CC=C(C2=CC=CC=C2C)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669821	0	54	0.0	-36.80	415.09	10.46	-26.34
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC(OC)=C1OCC(F)F	REAL300018669822	0	52	0.0	-41.85	415.57	7.49	-34.36
O=C([O-])C([NH2+]CC1=CC=NC2=C(Br)C=CC=C12)C1CCCCO1	REAL300018669823	0	42	0.0	-37.39	343.57	8.04	-29.35
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=NC=C1Br	REAL300018669824	0	39	0.0	-38.99	323.32	6.51	-32.48
O=C([O-])C([NH2+]CC1=NC=C(Br)C=C1F)C1CCCCO1	REAL300018669826	0	36	0.0	-32.24	308.34	5.85	-26.39
CC1=CC(Br)=CN2C(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CN=C12	REAL300018669827	0	43	0.0	-37.72	359.04	8.58	-29.14
O=C([O-])C([NH2+]CC1=CN=C(C2CCCC2)S1)C1CCCCO1	REAL300018669828	1	46	0.0	-36.09	361.37	7.59	-28.50
O=C([O-])C([NH2+]CC1=CN=C(C2=C(F)C=CC=C2F)S1)C1CCCCO1	REAL300018669829	0	43	0.0	-38.95	362.66	8.21	-30.74
O=C([O-])C([NH2+]CC1=CN=C(C2CCCCC2)S1)C1CCCCO1	REAL300018669830	1	49	0.0	-34.63	377.24	8.08	-26.55
CC(C)CC1=NC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669831	1	45	0.0	-33.67	355.19	7.08	-26.59
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CS2)S1)C1CCCCO1	REAL300018669832	1	40	0.0	-35.90	343.58	7.15	-28.75
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC(Cl)=C2)S1)C1CCCCO1	REAL300018669833	1	43	0.0	-36.90	370.26	8.70	-28.20
O=C([O-])C([NH2+]CC1=CN=C(C2=CSC=C2)S1)C1CCCCO1	REAL300018669834	1	40	0.0	-33.59	343.65	7.05	-26.54
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)S2)C=C1C	REAL300018669835	0	49	0.0	-35.40	390.08	9.28	-26.12
CC1=CC=C(C2=NC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)S2)O1	REAL300018669836	1	43	0.0	-37.05	359.21	6.87	-30.18
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=C(Br)C=C1F	REAL300018669837	0	40	0.0	-26.95	330.96	8.41	-18.54
CC1=CC(Br)=CC=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669838	0	40	0.0	-32.82	322.79	8.29	-24.53
O=C([O-])C([NH2+]CC1=CN=C(CCC2=CC=CC=C2)S1)C1CCCCO1	REAL300018669839	1	49	0.0	-35.08	398.39	9.63	-25.45
COCCC1=NC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669840	1	43	0.0	-36.14	348.49	4.64	-31.50
O=C([O-])C([NH2+]CC1=CN(CC(F)(F)F)N=C1)C1CCCCO1	REAL300018669841	0	40	0.0	-46.71	331.70	6.12	-40.59
O=C([O-])C([NH2+]CCCC1=C(Cl)C=CC=C1Cl)C1CCCCO1	REAL300018669843	0	43	0.0	-35.29	359.61	9.55	-25.74
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1Br)C1CCCCO1	REAL300018669844	0	37	0.0	-34.03	316.69	8.02	-26.01
CC1=C(Br)C=NC=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669845	0	39	0.0	-34.52	316.99	6.51	-28.01
O=C([O-])C([NH2+]CC1=CN2C=CC(Br)=CC2=N1)C1CCCCO1	REAL300018669846	0	40	0.0	-33.10	337.77	8.08	-25.02
CC1=NN(C2=CC=CC=C2F)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669848	0	47	0.0	-44.76	373.10	8.87	-35.89
CC1=NN(C2=CC=C(C)C=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669849	0	50	0.0	-36.06	388.31	9.63	-26.43
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CN=C2)S1)C1CCCCO1	REAL300018669850	1	42	0.0	-38.15	348.53	6.40	-31.75
CC(CCC1=CC=CC=C1)C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669852	0	49	0.0	-35.60	366.30	9.97	-25.63
COC1=CC=C(CC(C)C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1F	REAL300018669853	0	50	0.0	-38.04	380.95	8.56	-29.48
CC1=C(C)C=C2OC(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CC2=C1	REAL300018669854	1	46	0.0	-33.30	352.83	8.59	-24.71
CCC1=NN(C)C(CC)=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669855	0	49	0.0	-30.71	365.73	7.42	-23.29
O=C([O-])C([NH2+]CC1=CN=C(C2CCC2)S1)C1CCCCO1	REAL300018669856	1	43	0.0	-33.66	341.24	7.16	-26.50
CCC1=C2OC(C[NH2+]C(C(=O)[O-])C3CCCCO3)=CC2=CC=C1	REAL300018669857	1	46	0.0	-34.37	360.25	8.91	-25.46
CC(C[NH2+]C(C(=O)[O-])C1CCCCO1)C1=CC=C(S(C)(=O)=O)C=C1	REAL300018669858	0	49	0.0	-47.27	384.00	5.91	-41.36
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(F)C=C2Cl)N=N1)C1CCCCO1	REAL300018669861	0	43	0.0	-47.25	363.05	7.45	-39.80
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2Br)N=N1)C1CCCCO1	REAL300018669862	0	43	0.0	-49.64	355.66	7.36	-42.28
O=C([O-])C([NH2+]CC1=CN(C2=CC=C(Cl)C=C2Cl)N=N1)C1CCCCO1	REAL300018669863	0	43	0.0	-46.76	373.37	7.89	-38.87
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1C	REAL300018669864	0	50	0.0	-35.05	375.43	10.17	-24.88
CC(=CC1=CC=CC=C1OC(F)F)C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669865	0	48	0.0	-40.18	376.11	8.36	-31.82
CC(=CC1=CC=CC=C1C(F)(F)F)C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669866	0	47	0.0	-34.70	370.23	9.78	-24.92
COCC1=CC=CC=C1C=C(C)C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669867	0	51	0.0	-36.10	385.80	8.69	-27.41
CN1N=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669868	0	37	0.0	-34.17	310.84	5.26	-28.91
O=C([O-])C([NH2+]CC1=CC=C(CC(F)(F)F)C=C1)C1CCCCO1	REAL300018669869	0	43	0.0	-37.67	347.65	8.66	-29.01
O=C([O-])C([NH2+]CC1CCN(C2=CC=CC=C2)C1)C1CCCCO1	REAL300018669870	0	49	0.0	-36.89	361.77	7.42	-29.47
CN1N=C(C(F)(F)F)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669871	0	40	0.0	-34.41	327.90	5.62	-28.79
CC1=NN2C(=NC(C(C)C)=C2C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669873	1	48	0.0	-31.25	381.17	7.48	-23.77
O=C([O-])C([NH2+]CC1C2CC3CC(C2)CC1C3)C1CCCCO1	REAL300018669874	0	51	0.0	-35.16	339.28	8.81	-26.35
CCOP(=O)(CCC[NH2+]C(C(=O)[O-])C1CCCCO1)OCC	REAL300018669875	0	50	0.0	-37.05	391.01	6.89	-30.16
O=C([O-])C([NH2+]CC1=CC=CC(C2CCCC2)=C1)C1CCCCO1	REAL300018669876	0	50	0.0	-33.33	372.73	10.36	-22.97
O=C([O-])C([NH2+]CC1=CC=C2OCCCCOC2=C1)C1CCCCO1	REAL300018669877	0	49	0.0	-42.12	368.55	7.85	-34.27
COC1=CC(OC)=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1F	REAL300018669878	0	45	0.0	-38.51	353.34	5.69	-32.82
CC(C)OC(C[NH2+]C(C(=O)[O-])C1CCCCO1)C1=CC=CC=C1	REAL300018669879	0	50	0.0	-40.05	379.01	8.65	-31.40
CCCCCCCCCC(C)CC[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669880	0	63	0.0	-34.53	456.67	12.22	-22.31
COC(C[NH2+]C(C(=O)[O-])C1CCCCO1)CC1=CC=CC=C1	REAL300018669881	0	47	0.0	-38.11	354.63	7.49	-30.62
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669882	0	51	0.0	-34.66	381.78	9.17	-25.49
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1)C1CCCCO1	REAL300018669883	0	37	0.0	-34.60	308.78	7.70	-26.90
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC(OC)=C1OC	REAL300018669884	0	49	0.0	-38.76	380.71	6.24	-32.52
O=C([O-])C([NH2+]CC1=CC=C(Cl)C=C1Cl)C1CCCCO1	REAL300018669885	0	37	0.0	-35.00	314.69	7.97	-27.03
O=C([O-])C([NH2+]CC1=CC=C(N2CCOCC2)C=C1)C1CCCCO1	REAL300018669886	0	50	0.0	-37.93	373.48	5.80	-32.13
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C(C)=C1Br	REAL300018669887	0	43	0.0	-34.94	334.05	8.44	-26.50
O=C([O-])C([NH2+]CC=CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1CCCCO1	REAL300018669888	0	55	0.0	-37.02	428.94	11.62	-25.40
CC(C[NH2+]C(C(=O)[O-])C1CCCCO1)C1=CC(F)=CC(F)=C1	REAL300018669889	0	43	0.0	-38.67	336.11	8.51	-30.16
O=C([O-])C([NH2+]CC1=CC(OC(F)F)=CC=C1Br)C1CCCCO1	REAL300018669891	0	41	0.0	-34.76	340.23	7.23	-27.53
CN1N=C2CCCCC2=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669892	1	47	0.0	-37.25	353.68	6.95	-30.30
COCCCN1N=CC=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669893	1	47	0.0	-36.49	362.36	5.32	-31.17
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1Cl	REAL300018669894	0	42	0.0	-44.28	355.86	2.64	-41.64
O=C([O-])C([NH2+]CC1=CSC=C1C(F)(F)F)C1CCCCO1	REAL300018669896	0	37	0.0	-38.02	302.91	6.76	-31.26
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1)C1CCCCO1	REAL300018669897	0	47	0.0	-38.07	379.72	11.02	-27.05
CC1=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)SC2=C(Cl)C=CC=C12	REAL300018669898	0	43	0.0	-39.01	359.14	9.67	-29.34
O=C([O-])C([NH2+]CC1=C(C(F)(F)F)SC=C1)C1CCCCO1	REAL300018669900	0	37	0.0	-26.22	309.50	7.17	-19.05
O=C([O-])C([NH2+]CC1=CC=NN1C1CCOCC1)C1CCCCO1	REAL300018669901	1	48	0.0	-40.05	365.12	5.58	-34.47
C[C@]1(C[NH2+]C(C(=O)[O-])C2CCCCO2)C[C@@H]1C1=CC=CC=C1	REAL300018669902	0	47	0.0	-36.39	348.79	9.87	-26.52
CC1=NN(C2=CC(C)=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669903	0	50	0.0	-38.91	385.82	9.31	-29.60
O=C([O-])C([NH2+]CC1=CC=NN1CC1CCC1)C1CCCCO1	REAL300018669904	1	47	0.0	-32.91	357.28	7.61	-25.30
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C(OC)=C1	REAL300018669905	0	45	0.0	-30.03	344.30	5.71	-24.32
O=C([O-])C([NH2+]CC1=CC=C(C(F)(F)F)C=C1)C1CCCCO1	REAL300018669906	0	40	0.0	-36.15	326.22	8.08	-28.07
CCN(CC1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669907	0	58	0.0	-36.48	431.04	11.76	-24.72
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C=C1)C1CCCCO1	REAL300018669908	0	41	0.0	-38.23	328.73	6.55	-31.68
O=C([O-])C([NH2+]CC1=CC=CC(OC2=CC=CC=C2)=C1)C1CCCCO1	REAL300018669909	0	48	0.0	-39.12	377.11	9.96	-29.16
O=C([O-])C([NH2+]CC=CC1=CC=CC=C1[N+](=O)[O-])C1CCCCO1	REAL300018669910	0	43	0.0	-51.26	343.34	8.74	-42.52
O=C([O-])C([NH2+]CC1=CC=CC(C(F)(F)F)=C1)C1CCCCO1	REAL300018669911	0	40	0.0	-33.83	327.22	8.15	-25.68
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C(OC)=C1OC	REAL300018669912	0	49	0.0	-39.05	378.57	6.06	-32.99
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OCC1=CC=CC=C1	REAL300018669913	0	55	0.0	-37.52	427.20	10.23	-27.29
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=CC=C2)C=C1)C1CCCCO1	REAL300018669914	0	51	0.0	-39.67	400.74	10.25	-29.42
COC1=CC=C(Br)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669915	0	41	0.0	-32.81	336.93	7.04	-25.77
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)C=C1)C1CCCCO1	REAL300018669916	0	47	0.0	-38.11	363.69	10.38	-27.73
COC1=CC(OC)=C(OC)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669917	0	49	0.0	-38.33	373.49	5.43	-32.90
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2)=C1)C1CCCCO1	REAL300018669918	0	51	0.0	-33.23	397.95	10.33	-22.90
O=C([O-])C([NH2+]CC1=CC=CC=C1Br)C1CCCCO1	REAL300018669919	0	37	0.0	-27.89	302.05	7.45	-20.44
O=C([O-])C([NH2+]CC1=CC2=CC=CN=C2C=C1)C1CCCCO1	REAL300018669920	0	42	0.0	-42.56	330.59	7.32	-35.24
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OCC1=CC=CC=C1	REAL300018669921	0	55	0.0	-39.98	429.01	10.33	-29.65
CC(C)(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669922	0	49	0.0	-34.59	362.84	9.19	-25.40
CC1=NN(C2=CC=CC=C2)C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669923	0	47	0.0	-35.51	365.17	8.86	-26.65
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OC(F)F	REAL300018669924	0	45	0.0	-37.88	357.01	6.64	-31.24
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Br)C=C2)O1)C1CCCCO1	REAL300018669925	1	44	0.0	-38.28	368.22	9.57	-28.71
O=C([O-])C([NH2+]CC[C@@H]1C[C@H]1C1=CC=CC=C1)C1CCCCO1	REAL300018669926	0	47	0.0	-38.40	359.11	10.03	-28.37
CC1=CC(C)=C(C=CC[NH2+]C(C(=O)[O-])C2CCCCO2)C(C)=C1	REAL300018669927	0	50	0.0	-36.83	376.66	10.00	-26.83
O=C([O-])C([NH2+]CC1=CC=CC(CC2CCC2)=C1)C1CCCCO1	REAL300018669928	0	50	0.0	-33.14	377.75	10.56	-22.58
CN1N=C2CCSCC2=C1C[NH2+]C(C(=O)[O-])C1CCCCO1	REAL300018669929	1	45	0.0	-34.48	350.09	6.50	-27.98
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OC	REAL300018669930	0	48	0.0	-38.54	369.10	7.28	-31.26
CCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669931	0	53	0.0	-35.14	403.34	9.66	-25.48
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1)C1CCCCO1	REAL300018669932	1	46	0.0	-38.16	375.08	9.42	-28.74
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1)C1CCCCO1	REAL300018669933	1	46	0.0	-43.14	375.13	9.61	-33.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1Br	REAL300018669934	0	41	0.0	-33.76	336.61	7.02	-26.74
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669935	0	54	0.0	-36.08	410.29	8.75	-27.33
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669936	0	51	0.0	-38.39	390.60	8.08	-30.31
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669937	0	49	0.0	-38.86	382.01	7.86	-31.00
CCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669938	0	60	0.0	-36.68	455.09	10.42	-26.26
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)O1)C1CCCCO1	REAL300018669939	1	44	0.0	-38.19	363.65	9.46	-28.73
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2Cl)O1)C1CCCCO1	REAL300018669940	1	44	0.0	-40.60	365.63	9.61	-30.99
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1)C1CCCCO1	REAL300018669941	0	54	0.0	-47.79	409.69	10.30	-37.49
O=C([O-])C([NH2+]CC1=CN(CC2=CC=CC=C2)C2=CC=CC=C12)C1CCCCO1	REAL300018669942	0	54	0.0	-42.28	423.48	12.57	-29.71
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1[N+](=O)[O-]	REAL300018669943	0	54	0.0	-38.89	424.04	12.11	-26.78
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669944	0	47	0.0	-35.09	360.35	8.10	-26.99
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2Cl)O1)C1CCCCO1	REAL300018669945	1	46	0.0	-39.65	390.52	10.05	-29.60
COC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)O2)C([N+](=O)[O-])=C1	REAL300018669946	1	50	0.0	-48.75	400.53	9.52	-39.23
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)O1)C1CCCCO1	REAL300018669947	1	44	0.0	-38.95	348.75	9.04	-29.91
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OC(C)C	REAL300018669948	0	51	0.0	-38.47	387.05	7.89	-30.58
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OCC	REAL300018669949	0	54	0.0	-37.38	410.64	8.89	-28.49
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1[N+](=O)[O-]	REAL300018669950	0	42	0.0	-46.35	330.88	8.25	-38.10
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OCC1=CC=CC=C1	REAL300018669951	0	58	0.0	-39.02	449.05	11.15	-27.87
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[NH2+]C(C(=O)[O-])C1CCCCO1)=C2	REAL300018669952	0	53	0.0	-41.40	411.14	11.70	-29.70
CC(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1[N+](=O)[O-]	REAL300018669953	0	48	0.0	-46.48	371.76	9.56	-36.92
O=C([O-])C([NH2+]CC1=CC(Br)=C2OCOC2=C1)C1CCCCO1	REAL300018669954	0	40	0.0	-37.93	335.88	6.43	-31.50
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OCC(C)C	REAL300018669955	0	57	0.0	-37.96	432.56	9.68	-28.28
COC1=CC(Br)=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669956	0	45	0.0	-31.61	363.58	6.74	-24.87
COC1=CC(OC)=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=C1	REAL300018669957	0	45	0.0	-38.24	348.47	5.56	-32.68
O=C([O-])C([NH2+]CC1=CC2=C(C=C1Br)OCO2)C1CCCCO1	REAL300018669958	0	40	0.0	-32.34	330.94	6.21	-26.13
COC1=CC2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)C=C2C=C1	REAL300018669959	0	47	0.0	-37.26	362.09	8.42	-28.84
CCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OCC	REAL300018669960	0	57	0.0	-35.96	432.14	9.67	-26.29
O=C([O-])C([NH2+]CC1=CC=C(CSC(F)F)O1)C1CCCCO1	REAL300018669961	1	41	0.0	-34.09	347.17	7.44	-26.65
CCN(CC)C1=NC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)S1	REAL300018669962	1	47	0.0	-36.21	370.41	7.73	-28.48
CC1=CC=C(COC2=CC=C(C[NH2+]C(C(=O)[O-])C3CCCCO3)C=C2)C=C1	REAL300018669963	0	54	0.0	-39.64	422.15	10.92	-28.72
O=C([O-])C([NH2+]CC1=CC=C(N2CCCCC2)C=C1)C1CCCCO1	REAL300018669964	0	52	0.0	-34.47	381.44	8.44	-26.03
CN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1	REAL300018669965	0	52	0.0	-37.49	400.08	10.77	-26.72
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC(Cl)=C1OC	REAL300018669966	0	45	0.0	-38.32	368.18	6.79	-31.53
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OCC(C)C	REAL300018669967	0	54	0.0	-38.05	410.71	8.76	-29.29
CCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OC	REAL300018669968	0	51	0.0	-37.55	388.79	7.97	-29.58
O=C([O-])C([NH2+]CC1=CC=C(Br)S1)C1CCCCO1	REAL300018669969	0	34	0.0	-36.54	300.40	6.98	-29.56
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC(Cl)=C1OC	REAL300018669970	0	48	0.0	-38.07	390.04	7.71	-30.36
C=CCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=C1	REAL300018669971	0	45	0.0	-32.25	350.95	7.86	-24.39
CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669972	0	48	0.0	-36.86	387.20	7.65	-29.21
CCCCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OC	REAL300018669973	0	54	0.0	-37.41	410.29	8.75	-28.66
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OCC	REAL300018669974	0	54	0.0	-36.48	430.55	9.38	-27.10
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC(F)F	REAL300018669975	0	45	0.0	-42.17	357.01	6.65	-35.52
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OC(F)F	REAL300018669977	0	48	0.0	-36.90	377.05	7.45	-29.45
CC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC(C)=C1OC(F)F	REAL300018669978	0	47	0.0	-36.34	365.23	8.11	-28.23
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC2=C1OCCO2	REAL300018669979	0	47	0.0	-38.60	360.33	5.89	-32.71
O=C([O-])C([NH2+]CC1=CC=C(C2=NC3=CC=CC=C3S2)O1)C1CCCCO1	REAL300018669980	1	46	0.0	-37.13	383.96	8.39	-28.74
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC2=C1OCO2	REAL300018669981	0	44	0.0	-40.89	342.27	5.00	-35.89
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2)S1)C1CCCCO1	REAL300018669983	0	44	0.0	-39.15	357.33	9.73	-29.42
CCCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2CCCCO2)C=C1OC	REAL300018669984	0	51	0.0	-36.68	408.70	8.45	-28.23
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1CCCCO1)OC(C)C2	REAL300018669985	0	49	0.0	-36.53	374.49	6.91	-29.62
O=C([O-])C([NH2+]CC1=CC=C(N2C=CN=C2)C=C1)C1CCCCO1	REAL300018669986	0	44	0.0	-42.82	345.43	9.35	-33.47
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2F)O1)C1CCCCO1	REAL300018669987	1	44	0.0	-41.71	355.35	9.06	-32.65
O=C([O-])C([NH2+]CC1=CC(Cl)=C2OCCOC2=C1)C1CCCCO1	REAL300018669988	0	43	0.0	-40.24	349.94	6.66	-33.58
O=C([O-])C([NH2+]CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1)C1CCCCO1	REAL300018669989	0	50	0.0	-41.30	395.67	11.79	-29.51
COC1=CC(C[NH2+]C(C(=O)[O-])C2CCCCO2)=CC=C1OCC1=CC=CS1	REAL300018669990	0	52	0.0	-38.05	419.24	9.40	-28.65
O=C([O-])C([NH2+]CC1=CC(Cl)=C2OCCCOC2=C1)C1CCCCO1	REAL300018669991	0	46	0.0	-40.89	368.36	7.44	-33.45
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1)C1CCCCO1	REAL300018669992	0	51	0.0	-33.71	411.12	10.92	-22.79
O=C([O-])C([NH2+]CC1=NC2=CC=CC=C2N=C1)C1CCCCO1	REAL300018669993	1	41	0.0	-33.88	322.93	5.22	-28.66
O=C([O-])C([NH2+]CC1=CN(C2=CC=CC=C2)N=C1)C1CCCCO1	REAL300018669994	0	44	0.0	-40.14	347.33	8.37	-31.77
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(Br)=C2)O1)C1CCCCO1	REAL300018669995	1	44	0.0	-35.04	371.02	9.47	-25.57
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)S1)C1CCCCO1	REAL300018669996	0	44	0.0	-37.37	373.07	10.46	-26.91
O=C([O-])C([NH2+]CC1=CN(CC2=CC=CC=C2)N=C1)C1CCCCO1	REAL300018669997	0	47	0.0	-40.50	370.94	8.72	-31.78
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1)C1CCCCO1	REAL300018669998	1	46	0.0	-39.06	371.00	10.04	-29.02
O=C([O-])C([NH2+]CC1=CC=C(SC(F)(F)F)C=C1)C1CCCCO1	REAL300018670000	0	41	0.0	-33.73	343.89	8.54	-25.19
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1F	REAL300018671844	0	36	0.0	-34.21	322.08	10.23	-23.98
CC(C)=CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671846	0	42	0.0	-30.73	343.92	10.59	-20.14
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)CC(C)(C)C1	REAL300018671847	0	48	0.0	-31.94	365.79	10.83	-21.11
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC(Br)=C1	REAL300018671848	0	36	0.0	-32.90	332.15	11.03	-21.87
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671849	0	43	0.0	-32.59	365.96	10.41	-22.18
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1F	REAL300018671850	0	36	0.0	-33.05	323.40	10.26	-22.79
O=C([O-])C([NH2+]CC1=C2NC=CC2=CC=C1)C1=CC=CC(Br)=C1	REAL300018671851	0	37	0.0	-31.17	328.05	9.56	-21.61
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=CC(Br)=C1	REAL300018671852	1	32	0.0	-36.82	316.73	9.36	-27.46
CC1CC(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018671853	0	42	0.0	-30.50	329.46	9.88	-20.62
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671854	0	45	0.0	-30.50	377.88	12.24	-18.26
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=CC(C)=C1	REAL300018671855	0	39	0.0	-30.44	339.51	10.88	-19.56
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1[N+](=O)[O-]	REAL300018671856	0	39	0.0	-38.64	352.20	10.29	-28.35
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC(Br)=C1	REAL300018671857	0	33	0.0	-32.32	330.16	10.57	-21.75
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC(Br)=C1	REAL300018671858	0	37	0.0	-34.90	335.94	9.14	-25.76
CC(C)C1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018671860	0	45	0.0	-31.91	350.07	10.61	-21.30
O=C([O-])C([NH2+]CC1=CN=CN=C1)C1=CC=CC(Br)=C1	REAL300018671861	0	31	0.0	-34.69	286.31	7.56	-27.13
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC(Br)=C1	REAL300018671862	0	38	0.0	-32.25	331.20	9.75	-22.50
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671863	0	39	0.0	-39.46	355.45	7.02	-32.44
CC1CCCC1[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671864	0	36	0.0	-28.53	292.39	9.31	-19.22
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671865	0	46	0.0	-33.17	383.59	10.88	-22.29
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC(Br)=C1	REAL300018671866	0	40	0.0	-34.68	355.51	11.76	-22.92
O=C([O-])C([NH2+]C1CCOCC1)C1=CC=CC(Br)=C1	REAL300018671867	0	34	0.0	-31.76	285.28	6.48	-25.28
CC(C)CCCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671868	0	44	0.0	-30.43	350.22	10.65	-19.78
CCCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671869	0	41	0.0	-31.35	322.20	9.65	-21.70
CCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)S1	REAL300018671870	1	36	0.0	-31.00	328.95	10.21	-20.79
O=C([O-])C([NH2+]CC1=CCCOC1)C1=CC=CC(Br)=C1	REAL300018671871	0	35	0.0	-30.71	302.37	7.35	-23.36
O=C([O-])C([NH2+]CC1=CC=C2OCCC2=C1)C1=CC=CC(Br)=C1	REAL300018671873	0	38	0.0	-33.28	332.58	9.41	-23.87
O=C([O-])C([NH2+]CC1=CC=C(N2CCCC2)N=C1)C1=CC=CC(Br)=C1	REAL300018671874	0	44	0.0	-32.02	369.30	9.43	-22.59
O=C([O-])C([NH2+]CC1=C2C=CNC2=CC=C1)C1=CC=CC(Br)=C1	REAL300018671876	0	37	0.0	-30.12	327.87	9.58	-20.54
CN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671877	0	33	0.0	-31.52	296.83	8.70	-22.82
O=C([O-])C([NH2+]CC1=CC=C2C=CNC2=C1)C1=CC=CC(Br)=C1	REAL300018671878	0	37	0.0	-33.06	326.13	9.52	-23.54
CC1=NN(C)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671879	0	36	0.0	-33.72	319.26	7.71	-26.01
CC(CC1=CC=CS1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671880	0	36	0.0	-30.70	320.40	9.96	-20.74
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671881	0	48	0.0	-29.77	372.39	12.42	-17.35
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1)C1=CC=CC(Br)=C1	REAL300018671882	0	42	0.0	-35.70	364.61	11.17	-24.53
O=C([O-])C([NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1)C1=CC=CC(Br)=C1	REAL300018671883	0	42	0.0	-34.26	364.80	11.18	-23.08
O=C([O-])C([NH2+]C1CCN(C2=CN=CC=N2)CC1)C1=CC=CC(Br)=C1	REAL300018671885	0	43	0.0	-36.52	356.46	7.37	-29.15
CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018671886	0	42	0.0	-34.68	359.45	9.38	-25.30
CN1N=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671887	0	33	0.0	-31.44	295.15	7.06	-24.38
O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=CC(Br)=C1	REAL300018671888	0	43	0.0	-35.16	365.70	9.43	-25.73
COCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671889	0	44	0.0	-35.62	380.37	9.02	-26.60
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1Cl	REAL300018671890	0	37	0.0	-32.63	342.21	9.41	-23.22
COC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671891	0	36	0.0	-27.98	321.10	6.30	-21.68
O=C([O-])C([NH2+]CC1=CC=CC2=NC=CC=C12)C1=CC=CC(Br)=C1	REAL300018671892	0	38	0.0	-32.99	332.78	9.81	-23.18
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCO2)C1=CC=CC(Br)=C1	REAL300018671894	0	39	0.0	-28.49	337.67	8.70	-19.79
O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC(Br)=C1	REAL300018671895	0	42	0.0	-28.23	358.28	9.55	-18.68
O=C([O-])C([NH2+]C1CC(C2=CC=CC(Cl)=C2)C1)C1=CC=CC(Br)=C1	REAL300018671896	0	40	0.0	-35.18	355.26	11.79	-23.39
O=C([O-])C([NH2+]C1CC(C2=CC=CC=C2Cl)C1)C1=CC=CC(Br)=C1	REAL300018671897	0	40	0.0	-31.25	349.64	11.60	-19.65
O=C([O-])C([NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1)C1=CC=CC(Br)=C1	REAL300018671898	0	41	0.0	-35.59	363.91	10.78	-24.81
CCCOC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671899	0	43	0.0	-33.30	369.56	10.58	-22.72
CC(CN1C=NC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671900	0	35	0.0	-36.45	304.48	9.95	-26.50
C#CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671901	0	42	0.0	-32.60	373.39	11.05	-21.55
CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(Br)=C3)C=NC2=NN1	REAL300018671902	0	38	0.0	-39.66	339.76	8.07	-31.59
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018671903	0	34	0.0	-34.67	308.15	7.54	-27.13
O=C([O-])C([NH2+]CC1=CN=C2C=CC=CN12)C1=CC=CC(Br)=C1	REAL300018671905	0	36	0.0	-35.78	322.21	9.96	-25.82
CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671907	0	43	0.0	-33.37	365.96	10.41	-22.96
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671911	0	42	0.0	-35.89	356.05	11.68	-24.21
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671912	0	45	0.0	-32.93	370.65	12.25	-20.68
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671913	0	45	0.0	-32.67	374.95	12.34	-20.33
O=C([O-])C([NH2+]C1CCC(F)(F)CC1)C1=CC=CC(Br)=C1	REAL300018671914	0	36	0.0	-32.68	305.93	9.03	-23.65
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(Br)=C1	REAL300018671915	1	45	0.0	-50.35	359.56	9.77	-40.58
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(Br)=C1	REAL300018671917	0	37	0.0	-37.92	331.40	7.94	-29.98
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC(Br)=C1	REAL300018671918	0	36	0.0	-36.62	339.07	10.53	-26.09
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018671920	1	47	0.0	-53.71	372.43	9.91	-43.80
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C(C)S1	REAL300018671921	0	36	0.0	-29.59	324.48	10.04	-19.55
CC([NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCCC1	REAL300018671922	0	39	0.0	-30.14	309.08	9.41	-20.73
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671923	0	39	0.0	-33.93	353.82	10.33	-23.60
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018671924	0	47	0.0	-51.12	362.78	9.22	-41.90
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=CC=C1SC	REAL300018671925	0	41	0.0	-33.93	365.60	9.90	-24.03
O=C([O-])C([NH2+]CC1=CC(C2=CC=CC=C2)=NN1)C1=CC=CC(Br)=C1	REAL300018671926	0	40	0.0	-35.34	356.08	9.48	-25.86
C=CCCC(CC)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671927	0	39	0.0	-31.87	313.52	9.44	-22.43
CCOCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671929	0	36	0.0	-27.16	306.48	7.25	-19.91
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671930	0	45	0.0	-34.44	370.69	12.29	-22.15
C=CCC(C)C(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671932	0	39	0.0	-30.00	318.36	9.50	-20.50
CN1N=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C2=CC=CC=C21	REAL300018671933	0	39	0.0	-33.95	346.66	9.48	-24.47
CN1C=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=N1	REAL300018671934	1	33	0.0	-29.65	298.24	7.24	-22.41
O=C([O-])C([NH2+]CC1=C2C=CC=CC2=NN1)C1=CC=CC(Br)=C1	REAL300018671935	0	36	0.0	-34.07	322.26	8.14	-25.93
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1F	REAL300018671936	0	41	0.0	-35.86	357.78	9.10	-26.76
O=C([O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C1=CC=CC(Br)=C1	REAL300018671937	1	36	0.0	-30.99	332.27	8.97	-22.02
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(Br)=C3)=CC=C2O1	REAL300018671938	0	44	0.0	-33.30	372.79	10.77	-22.53
CC(CC1=CSC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671941	0	36	0.0	-29.41	317.43	9.74	-19.67
CC1=NC=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671943	0	35	0.0	-31.87	301.64	8.21	-23.66
CC(CSC(C)(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671944	0	42	0.0	-34.82	348.31	9.84	-24.98
CN(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018671945	0	41	0.0	-33.77	354.02	8.60	-25.17
CC(C)OCC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671947	0	39	0.0	-26.69	325.75	7.93	-18.76
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671948	0	46	0.0	-31.22	387.71	11.22	-20.00
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671949	0	44	0.0	-33.57	379.74	9.00	-24.57
COCC(CC(C)C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671950	0	42	0.0	-25.41	337.09	8.23	-17.18
O=C([O-])C([NH2+]C1CCCOC1)C1=CC=CC(Br)=C1	REAL300018671951	0	34	0.0	-34.76	285.22	6.52	-28.24
CC1(C)CCCC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C1	REAL300018671952	0	45	0.0	-32.23	351.69	10.76	-21.47
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671953	0	44	0.0	-29.33	360.67	10.48	-18.85
O=C([O-])C([NH2+]CC1=CC=C2CCCC2=C1)C1=CC=CC(Br)=C1	REAL300018671954	0	40	0.0	-30.50	342.21	11.47	-19.03
CC1=CC=CC=C1CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671955	0	42	0.0	-33.77	346.11	11.27	-22.50
CC1=CC=CC(CC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671956	0	42	0.0	-29.43	352.69	11.52	-17.91
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1)OCO2	REAL300018671957	0	40	0.0	-31.13	349.54	7.54	-23.59
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671959	0	46	0.0	-33.15	389.67	11.28	-21.87
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC(Br)=C1	REAL300018671960	0	39	0.0	-31.51	343.21	11.73	-19.78
O=C([O-])C([NH2+]CCC1CCOCC1)C1=CC=CC(Br)=C1	REAL300018671961	0	40	0.0	-33.82	328.18	8.04	-25.78
O=C([O-])C([NH2+]CC1CCSCC1)C1=CC=CC(Br)=C1	REAL300018671962	0	37	0.0	-33.44	315.97	9.57	-23.87
O=C([O-])C([NH2+]CC1CCCCCC1)C1=CC=CC(Br)=C1	REAL300018671963	0	42	0.0	-30.83	329.07	10.30	-20.53
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(Br)=C3)=C2O1	REAL300018671964	0	44	0.0	-33.34	374.00	10.76	-22.58
O=C([O-])C([NH2+]CC1=CC=NC=C1Cl)C1=CC=CC(Br)=C1	REAL300018671966	0	32	0.0	-32.68	303.30	8.25	-24.43
CCC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018671968	0	37	0.0	-34.57	329.64	8.14	-26.43
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC(Br)=C1	REAL300018671969	0	40	0.0	-32.49	355.04	10.75	-21.74
CCN1C=NC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671971	0	36	0.0	-29.32	311.53	9.63	-19.69
CC1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)N1C	REAL300018671972	0	36	0.0	-30.95	315.16	8.47	-22.48
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC(Br)=C1	REAL300018671973	0	38	0.0	-35.57	337.69	10.03	-25.54
O=C([O-])C([NH2+]CC1=CN=C2CCCN12)C1=CC=CC(Br)=C1	REAL300018671974	0	37	0.0	-32.59	322.70	9.13	-23.46
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)CC1	REAL300018671975	0	41	0.0	-44.50	348.40	5.29	-39.21
O=C([O-])C([NH2+]CC1=CC=C(F)C=N1)C1=CC=CC(Br)=C1	REAL300018671976	0	32	0.0	-28.76	298.09	7.80	-20.96
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671978	0	37	0.0	-32.86	332.61	8.92	-23.94
CC(CC1=CN=CC=N1)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671979	0	37	0.0	-32.15	317.12	7.97	-24.18
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=N1	REAL300018671980	0	43	0.0	-34.30	368.31	9.51	-24.79
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=CO1	REAL300018671982	0	33	0.0	-29.12	294.42	8.29	-20.83
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C(Cl)=C1	REAL300018671983	0	36	0.0	-30.75	329.90	10.65	-20.10
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC(Br)=C1	REAL300018671984	0	35	0.0	-38.92	336.03	10.56	-28.36
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC(Br)=C1	REAL300018671985	0	36	0.0	-35.38	333.63	10.81	-24.57
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671987	0	38	0.0	-38.75	346.97	8.09	-30.66
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC(Br)=C1	REAL300018671988	1	35	0.0	-37.75	335.50	10.68	-27.07
CCC1CC([NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)CCO1	REAL300018671989	0	40	0.0	-31.96	328.54	8.13	-23.83
CC(C)C1CC([NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)CCO1	REAL300018671990	0	43	0.0	-31.59	344.26	8.61	-22.98
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC(Br)=C1	REAL300018671991	0	43	0.0	-30.66	359.40	12.05	-18.61
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC(Br)=C1	REAL300018671992	0	52	0.0	-28.69	385.90	12.73	-15.96
CC(C)CC(C)CC(C)[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671993	0	47	0.0	-31.70	366.80	10.88	-20.82
CCC1CCC1[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1	REAL300018671994	0	36	0.0	-30.87	305.98	9.17	-21.70
CC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671995	0	42	0.0	-33.86	354.10	11.53	-22.33
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)=C1	REAL300018671997	0	46	0.0	-33.24	375.77	10.66	-22.58
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC(Br)=C1)C1CCCCC1	REAL300018671998	0	45	0.0	-31.72	351.24	10.96	-20.76
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(Br)=C2)C=C1	REAL300018671999	0	38	0.0	-39.40	348.99	4.45	-34.95
CC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1F	REAL300018682739	0	39	0.0	-80.49	338.13	10.31	-70.18
CC1(C)CCCCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682740	0	45	0.0	-70.42	337.57	10.05	-60.37
O=C([O-])C1=CC(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])=CC=C1C(F)(F)F	REAL300018682742	1	38	0.0	-74.72	347.99	10.70	-64.02
CC(C)=CCCC(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682743	0	45	0.0	-73.05	360.43	10.70	-62.35
CC1(C)CC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC(C)(C)C1	REAL300018682744	0	51	0.0	-73.68	381.34	10.92	-62.76
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682745	0	49	0.0	-76.51	400.28	11.79	-64.72
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)=CC=C1C(F)(F)F	REAL300018682746	0	43	0.0	-81.81	378.77	12.23	-69.58
O=C([O-])C1=CC(C[NH2+]CC2=CC3=CC=CC=C3S2)=CC=C1C(F)(F)F	REAL300018682747	0	39	0.0	-80.91	348.79	11.15	-69.76
CC(C)OC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682748	0	46	0.0	-79.80	380.68	10.45	-69.35
CC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1F	REAL300018682749	0	39	0.0	-83.38	338.13	10.31	-73.07
CC1CCC(C)C([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300018682750	0	45	0.0	-72.85	341.77	10.10	-62.75
O=C([O-])C1=CC(C[NH2+]CC2=C3NC=CC3=CC=C2)=CC=C1C(F)(F)F	REAL300018682751	0	40	0.0	-80.11	342.77	9.62	-70.49
O=C([O-])C1=CC(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)=CC=C1C(F)(F)F	REAL300018682752	1	35	0.0	-91.84	331.45	9.41	-82.43
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC=C2N2CCOCC2)=CC=C1C(F)(F)F	REAL300018682753	0	49	0.0	-74.45	395.98	9.19	-65.26
CC1CC(C)CC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300018682754	0	45	0.0	-71.90	344.94	9.97	-61.93
CC(C)CC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682755	0	48	0.0	-76.97	392.61	12.29	-64.68
CC1=CC=C(C2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=C2)C=C1	REAL300018682756	0	49	0.0	-80.88	407.02	13.70	-67.18
CC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC(C)=C1	REAL300018682757	0	42	0.0	-77.32	354.22	10.94	-66.38
COC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1[N+](=O)[O-]	REAL300018682758	0	42	0.0	-92.92	366.93	10.35	-82.57
O=C([O-])C1=CC(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)=CC=C1C(F)(F)F	REAL300018682759	0	36	0.0	-83.52	344.87	10.62	-72.90
CC1=CC=CC(C)=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682760	0	42	0.0	-76.34	344.57	10.69	-65.65
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682761	0	49	0.0	-79.41	407.49	13.69	-65.72
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC(OC(F)F)=C2)=CC=C1C(F)(F)F	REAL300018682762	0	40	0.0	-82.80	350.67	9.19	-73.61
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1OCC	REAL300018682763	0	50	0.0	-84.54	413.87	10.64	-73.90
O=C([O-])C1=CC(C[NH2+]CC2=NC=CS2)=CC=C1C(F)(F)F	REAL300018682764	1	32	0.0	-78.32	296.19	6.75	-71.57
CC(C)C1CCC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300018682765	0	48	0.0	-72.16	366.20	10.73	-61.43
O=C([O-])C1=CC(C[NH2+]CC2=CN=CN=C2)=CC=C1C(F)(F)F	REAL300018682766	0	34	0.0	-85.73	301.04	7.61	-78.12
O=C([O-])C1=CC(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)=CC=C1C(F)(F)F	REAL300018682767	0	39	0.0	-91.83	351.01	8.72	-83.11
O=C([O-])C1=CC(C[NH2+]CC2=CC=NC3=CC=CC=C23)=CC=C1C(F)(F)F	REAL300018682768	0	41	0.0	-87.09	347.83	9.87	-77.22
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)=CC=C1C(F)(F)F	REAL300018682769	0	40	0.0	-82.17	357.41	9.40	-72.77
CS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682770	0	42	0.0	-91.19	372.09	7.13	-84.06
CC1CCCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682771	0	39	0.0	-70.64	312.58	9.07	-61.57
CC(CCOCC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682772	0	49	0.0	-76.48	402.39	11.02	-65.46
O=C([O-])C1=CC(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)=CC=C1C(F)(F)F	REAL300018682773	0	43	0.0	-79.25	370.97	11.93	-67.32
O=C([O-])C1=CC(C[NH2+]C2CCOCC2)=CC=C1C(F)(F)F	REAL300018682774	0	37	0.0	-73.89	301.43	6.61	-67.28
CC(C)CCCC(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682775	0	47	0.0	-72.05	369.02	10.78	-61.27
CCCCC(CC)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682776	0	44	0.0	-71.28	348.13	10.11	-61.17
COC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C2=CC=CC=C12	REAL300018682777	0	46	0.0	-82.78	380.73	11.10	-71.68
CCC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682778	0	39	0.0	-76.72	345.00	10.29	-66.43
O=C([O-])C1=CC(C[NH2+]CC2=CCCOC2)=CC=C1C(F)(F)F	REAL300018682779	0	38	0.0	-77.83	318.39	7.43	-70.40
CN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682780	1	42	0.0	-87.77	357.82	9.95	-77.82
O=C([O-])C1=CC(C[NH2+]CC2=CC=C3OCCC3=C2)=CC=C1C(F)(F)F	REAL300018682781	0	41	0.0	-82.02	347.30	9.44	-72.58
O=C([O-])C1=CC(C[NH2+]CC2=CSC(Br)=C2)=CC=C1C(F)(F)F	REAL300018682782	0	33	0.0	-80.29	323.06	9.29	-71.00
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)=CC=C1C(F)(F)F	REAL300018682783	0	47	0.0	-83.72	385.33	9.52	-74.20
O=C([O-])C1=CC(C[NH2+]CC2=CN=CS2)=CC=C1C(F)(F)F	REAL300018682784	0	32	0.0	-79.69	296.16	6.86	-72.83
O=C([O-])C1=CC(C[NH2+]CC2=C3C=CNC3=CC=C2)=CC=C1C(F)(F)F	REAL300018682785	0	40	0.0	-76.59	342.59	9.63	-66.96
CN1C=NC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682786	0	36	0.0	-81.17	311.55	8.74	-72.43
O=C([O-])C1=CC(C[NH2+]CC2=CC=C3C=CNC3=C2)=CC=C1C(F)(F)F	REAL300018682787	0	40	0.0	-80.36	342.78	9.64	-70.72
CC1=NN(C)C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682788	0	39	0.0	-84.49	333.97	7.77	-76.72
CC(CC1=CC=CS1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682789	0	39	0.0	-73.91	336.83	10.05	-63.86
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)=CC=C1C(F)(F)F	REAL300018682790	0	39	0.0	-86.77	350.98	8.71	-78.06
CC1=CC(F)=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682791	0	39	0.0	-82.26	332.64	10.31	-71.95
CC1(C)CCC2=CC(C[NH2+]CC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300018682792	0	50	0.0	-81.41	402.04	11.44	-69.97
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682793	0	51	0.0	-73.59	390.53	12.56	-61.03
CN(C)C1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682794	0	44	0.0	-73.33	362.51	9.63	-63.70
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)=CC=C1C(F)(F)F	REAL300018682795	0	45	0.0	-82.04	380.64	11.26	-70.78
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)=CC=C1C(F)(F)F	REAL300018682796	0	45	0.0	-84.58	380.83	11.27	-73.31
O=C([O-])C1=CC(C[NH2+]C2CCN(C3=CN=CC=N3)CC2)=CC=C1C(F)(F)F	REAL300018682798	0	46	0.0	-80.51	371.31	7.45	-73.06
O=C([O-])C1=CC(C[NH2+]C2CCN(CC3=CC=CC=N3)CC2)=CC=C1C(F)(F)F	REAL300018682799	0	50	0.0	-75.15	398.11	8.14	-67.01
O=C([O-])C1=CC(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)=CC=C1C(F)(F)F	REAL300018682800	0	43	0.0	-84.89	376.65	10.88	-74.01
CC1=NNC(C)=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682801	0	39	0.0	-81.91	331.89	7.15	-74.76
CC(C)(C)N1C=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682802	0	45	0.0	-78.54	374.17	9.42	-69.12
CN1N=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682803	0	36	0.0	-85.16	312.03	7.18	-77.98
O=C([O-])C1=CC(C[NH2+]CC2=CN=C(N3CCCC3)N=C2)=CC=C1C(F)(F)F	REAL300018682804	0	46	0.0	-86.94	380.43	9.48	-77.46
CC(C)C1=NN(C)C=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682806	0	45	0.0	-80.96	376.62	9.25	-71.71
COCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682807	0	47	0.0	-79.03	396.39	9.11	-69.92
COC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1Cl	REAL300018682808	0	40	0.0	-85.26	356.94	9.45	-75.81
O=C([O-])C1=CC(C[NH2+]CC2=CSC(C3=CC=CC=N3)=N2)=CC=C1C(F)(F)F	REAL300018682809	1	41	0.0	-83.44	371.67	8.53	-74.91
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682810	1	48	0.0	-80.29	392.79	11.18	-69.11
COC1=NC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682811	0	39	0.0	-79.06	337.13	6.40	-72.66
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(Br)C=N2)=CC=C1C(F)(F)F	REAL300018682812	0	35	0.0	-82.43	327.70	8.39	-74.04
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=NC=CC=C23)=CC=C1C(F)(F)F	REAL300018682813	0	41	0.0	-86.59	347.51	9.87	-76.72
CC1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682814	0	35	0.0	-79.59	318.11	7.58	-72.01
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=C2OCCO3)=CC=C1C(F)(F)F	REAL300018682815	0	42	0.0	-75.27	354.28	8.84	-66.43
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=C2OCCCO3)=CC=C1C(F)(F)F	REAL300018682816	0	45	0.0	-81.02	373.05	9.59	-71.43
O=C([O-])C1=CC(C[NH2+]C2CC(C3=CC=CC(Cl)=C3)C2)=CC=C1C(F)(F)F	REAL300018682817	0	43	0.0	-77.06	371.94	11.91	-65.15
O=C([O-])C1=CC(C[NH2+]C2CC(C3=CC=CC=C3Cl)C2)=CC=C1C(F)(F)F	REAL300018682818	0	43	0.0	-75.92	367.88	11.82	-64.10
O=C([O-])C1=CC(C[NH2+]CC2=CN=C(C3=CC=CC=C3)N=C2)=CC=C1C(F)(F)F	REAL300018682819	0	44	0.0	-88.18	380.57	10.89	-77.29
O=C([O-])C1=CC(C[NH2+]CC2=CN=C(N3CCOCC3)N=C2)=CC=C1C(F)(F)F	REAL300018682820	0	47	0.0	-88.14	389.56	7.98	-80.16
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682821	1	48	0.0	-80.40	401.97	11.63	-68.77
CCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682822	0	46	0.0	-77.78	384.26	10.64	-67.14
CC(CN1C=NC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682823	0	38	0.0	-73.13	324.73	9.76	-63.37
C#CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682824	0	45	0.0	-81.16	390.04	11.15	-70.01
O=C([O-])C1=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=CS2)=CC=C1C(F)(F)F	REAL300018682825	0	43	0.0	-80.52	377.46	12.19	-68.33
CC1=C2C=C(C[NH2+]CC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)C=NC2=NN1	REAL300018682826	0	41	0.0	-96.63	354.47	8.14	-88.49
CC1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682827	0	37	0.0	-85.80	322.88	7.58	-78.22
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC(OC3CCCC3)=C2)=CC=C1C(F)(F)F	REAL300018682828	0	50	0.0	-77.51	405.50	11.81	-65.70
CCC1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682829	0	38	0.0	-79.32	339.59	8.32	-71.00
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC=C2N2C=NC=N2)=CC=C1C(F)(F)F	REAL300018682830	0	42	0.0	-74.00	355.73	12.72	-61.28
CN1C=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C2=CC=CN=C2)=N1	REAL300018682831	0	45	0.0	-82.97	385.75	9.00	-73.97
CN1C=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C2=CC=NC=C2)=N1	REAL300018682832	0	45	0.0	-88.45	385.76	9.03	-79.42
O=C([O-])C1=CC(C[NH2+]CC2=CN=C3C=CC=CN23)=CC=C1C(F)(F)F	REAL300018682833	0	39	0.0	-84.13	338.25	10.05	-74.08
CN(C)C1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682834	0	40	0.0	-78.67	353.63	8.62	-70.05
CC(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682835	0	46	0.0	-77.58	380.68	10.45	-67.13
CC(C)C1=NC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682836	1	41	0.0	-77.23	359.17	8.64	-68.59
O=C([O-])C1=CC(C[NH2+]CC2=CSC(C3CC3)=N2)=CC=C1C(F)(F)F	REAL300018682837	1	39	0.0	-73.38	347.86	8.83	-64.55
CCC1=NC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682838	1	38	0.0	-73.12	339.45	8.08	-65.04
CC(CCC1=CC=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682839	0	45	0.0	-77.37	374.78	11.81	-65.56
CC1=CC=CC(CCC(C)[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682840	0	48	0.0	-74.64	389.77	12.41	-62.23
CC1=CC=C(CCC(C)[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682841	0	48	0.0	-76.16	389.78	12.42	-63.74
O=C([O-])C1=CC(C[NH2+]C2CCC(F)(F)CC2)=CC=C1C(F)(F)F	REAL300018682842	0	39	0.0	-78.55	321.41	9.13	-69.42
CC(C1=CC=CC=C1)N1CCC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300018682843	0	51	0.0	-74.45	407.54	10.33	-64.12
O=C([O-])C1=CC(CNC2CC[NH+](CC3CC3)CC2)=CC=C1C(F)(F)F	REAL300018682844	0	48	0.0	-73.17	377.10	9.87	-63.30
CC(C)(C)C1=NC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682845	1	44	0.0	-72.91	378.11	9.15	-63.76
O=C([O-])C1=CC(C[NH2+]CC2=CSC(C3=CSC=C3)=N2)=CC=C1C(F)(F)F	REAL300018682846	1	39	0.0	-79.54	367.29	9.33	-70.21
O=C([O-])C1=CC(C[NH2+]CC2=CC3=NC=CN=C3C=C2)=CC=C1C(F)(F)F	REAL300018682847	0	40	0.0	-88.47	347.45	8.02	-80.45
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC=C2OC2CCCC2)=CC=C1C(F)(F)F	REAL300018682848	0	50	0.0	-71.11	404.11	11.87	-59.24
O=C([O-])C1=CC(C[NH2+]CC2=CN3C=C(Cl)C=CC3=N2)=CC=C1C(F)(F)F	REAL300018682849	1	39	0.0	-76.73	355.10	10.62	-66.11
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682850	0	44	0.0	-79.05	378.25	9.41	-69.64
CC(C)C[NH+]1CCC(NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300018682851	0	50	0.0	-74.80	384.77	9.76	-65.04
CC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C(C)S1	REAL300018682852	0	39	0.0	-77.41	340.51	10.13	-67.28
CC([NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCCC1	REAL300018682853	0	42	0.0	-71.81	329.31	9.66	-62.15
C#CCOC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682854	0	42	0.0	-82.45	368.55	10.38	-72.07
O=C([O-])C1=CC(C[NH2+]C2CCN(CC3=CC=NC=C3)CC2)=CC=C1C(F)(F)F	REAL300018682855	0	50	0.0	-76.08	398.45	8.42	-67.66
CC(C)(C)[NH+]1CCC(NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300018682856	0	50	0.0	-71.61	374.78	9.06	-62.55
COCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682857	0	50	0.0	-79.14	417.94	9.70	-69.44
COC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1SC	REAL300018682858	0	44	0.0	-84.88	380.32	9.95	-74.93
CCOCC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1OC	REAL300018682859	0	50	0.0	-77.47	415.00	9.82	-67.65
O=C([O-])C1=CC(C[NH2+]CC2=CC(C3=CC=CC=C3)=NN2)=CC=C1C(F)(F)F	REAL300018682860	0	43	0.0	-88.29	370.81	9.54	-78.75
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682861	1	45	0.0	-84.03	389.61	10.57	-73.46
C=CCCC(CC)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682862	0	42	0.0	-72.47	339.44	9.88	-62.59
CCN1C=CN=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682863	1	39	0.0	-81.15	328.27	8.96	-72.19
CCOCC(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682864	0	39	0.0	-73.47	322.22	7.32	-66.15
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682865	0	48	0.0	-70.43	377.08	12.12	-58.31
O=C([O-])C1=CC(C[NH2+]CC2=NC(C3=CC=CC=C3)=CS2)=CC=C1C(F)(F)F	REAL300018682867	1	42	0.0	-81.49	374.56	10.39	-71.10
CCN1N=C(C)C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1C	REAL300018682868	0	45	0.0	-82.05	374.08	9.21	-72.84
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1Cl	REAL300018682869	0	44	0.0	-85.63	391.70	10.96	-74.67
O=C([O-])C1=CC(C[NH2+]CC2=CN=C(C3=CC=CC=C3)S2)=CC=C1C(F)(F)F	REAL300018682870	0	42	0.0	-81.30	376.44	10.64	-70.66
C=CCC(C)C(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682871	0	42	0.0	-71.55	333.89	9.58	-61.97
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682872	0	49	0.0	-75.64	404.48	10.69	-64.95
CC(C)CCC1CCCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682873	0	51	0.0	-72.05	394.42	11.84	-60.21
CCCCC1CCCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682874	0	48	0.0	-71.79	376.85	11.34	-60.45
COC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C2OC(C)CC2=C1	REAL300018682875	0	48	0.0	-73.94	397.83	9.49	-64.45
CN1N=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C2=CC=CC=C21	REAL300018682876	1	42	0.0	-82.35	361.36	9.53	-72.82
CN1C=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300018682877	1	36	0.0	-74.55	314.28	7.32	-67.23
O=C([O-])C1=CC(C[NH2+]CC2=C3C=CC=CC3=NN2)=CC=C1C(F)(F)F	REAL300018682878	0	39	0.0	-91.57	338.30	8.22	-83.35
CN(C)C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1F	REAL300018682879	0	44	0.0	-85.60	372.48	9.16	-76.44
O=C([O-])C1=CC(C[NH2+]CC2=NC=CN2CC(F)(F)F)=CC=C1C(F)(F)F	REAL300018682880	1	39	0.0	-84.88	348.92	9.09	-75.79
CC1CCCCC1[NH+]1CCC(NCC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300018682881	0	57	0.0	-70.47	414.29	11.16	-59.31
CC1(C)CC2=CC(C[NH2+]CC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=CC=C2O1	REAL300018682882	0	47	0.0	-82.75	388.83	10.85	-71.90
CC1=NSC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682883	0	35	0.0	-84.66	317.96	8.02	-76.64
O=C([O-])C1=CC(C[NH2+]CC2=COC(C3=CC=CC=C3)=N2)=CC=C1C(F)(F)F	REAL300018682884	1	42	0.0	-77.98	368.07	8.04	-69.94
O=C([O-])C1=CC(C[NH2+]CC2=CSC(C3=CC=CS3)=N2)=CC=C1C(F)(F)F	REAL300018682885	1	39	0.0	-75.25	367.88	9.43	-65.82
CC(CC1=CSC=C1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682886	0	39	0.0	-69.34	336.41	9.89	-59.45
O=C([O-])C1=CC(C[NH2+]CC2CCCCCCC2)=CC=C1C(F)(F)F	REAL300018682887	0	48	0.0	-76.32	354.09	10.80	-65.52
CC1=CSC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300018682888	1	35	0.0	-78.47	317.99	7.34	-71.13
CC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682889	0	46	0.0	-83.82	389.26	10.13	-73.69
CC1=NC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682890	0	38	0.0	-82.13	321.31	8.42	-73.71
CC(CSC(C)(C)C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682891	0	45	0.0	-67.74	367.69	10.38	-57.36
CN(C)C1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300018682892	0	44	0.0	-84.86	370.05	8.69	-76.17
O=C([O-])C1=CC(C[NH2+]CC2=NC(C3=CC=CC=C3)=CN2)=CC=C1C(F)(F)F	REAL300018682893	1	43	0.0	-86.96	370.33	9.91	-77.05
CC(C)OCC(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682894	0	42	0.0	-73.50	342.49	8.07	-65.43
CC(C)COC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682895	0	49	0.0	-79.68	404.36	11.33	-68.35
COCCOC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682896	0	47	0.0	-81.87	396.39	9.10	-72.77
COCC(CC(C)C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682897	0	45	0.0	-71.95	357.16	8.46	-63.49
O=C([O-])C1=CC(C[NH2+]C2CCCOC2)=CC=C1C(F)(F)F	REAL300018682898	0	37	0.0	-74.22	301.36	6.65	-67.57
CC1(C)CCCC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C1	REAL300018682899	0	48	0.0	-75.59	366.39	10.84	-64.75
CC1=CC(N(C)C)=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682900	0	47	0.0	-76.96	377.93	10.54	-66.42
CC1(C)CCCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682901	0	42	0.0	-70.70	328.08	9.94	-60.76
O=C([O-])C1=CC(C[NH2+]CC2=CC=C3CCCC3=C2)=CC=C1C(F)(F)F	REAL300018682902	0	43	0.0	-77.81	356.92	11.52	-66.29
CC1=CC=CC=C1CC(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682903	0	45	0.0	-69.24	362.20	11.39	-57.85
CC1=CC=CC(CC(C)[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682904	0	45	0.0	-74.26	367.61	11.62	-62.64
COC1=CC2=C(C=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)OCO2	REAL300018682905	0	43	0.0	-79.84	365.57	7.63	-72.21
COC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=C1	REAL300018682906	0	37	0.0	-70.20	331.53	8.02	-62.18
CC(C)COC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682907	0	49	0.0	-77.57	404.37	11.34	-66.23
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(F)C3=CC=CC=C23)=CC=C1C(F)(F)F	REAL300018682908	0	42	0.0	-85.89	357.94	11.78	-74.11
O=C([O-])C1=CC(C[NH2+]CCC2CCOCC2)=CC=C1C(F)(F)F	REAL300018682909	0	43	0.0	-78.28	344.84	8.16	-70.12
O=C([O-])C1=CC(C[NH2+]CC2CCSCC2)=CC=C1C(F)(F)F	REAL300018682910	0	40	0.0	-80.86	332.00	9.67	-71.19
CC(C)COC1=CC=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682911	0	49	0.0	-73.83	403.01	11.40	-62.43
O=C([O-])C1=CC(C[NH2+]CC2CCCCCC2)=CC=C1C(F)(F)F	REAL300018682912	0	45	0.0	-75.74	343.52	10.40	-65.34
CC1(C)CC2=CC=CC(C[NH2+]CC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=C2O1	REAL300018682913	0	47	0.0	-71.02	388.66	10.83	-60.19
O=C([O-])C1=CC(C[NH2+]CC2=C(Cl)C=NC=C2Cl)=CC=C1C(F)(F)F	REAL300018682914	1	35	0.0	-73.02	334.87	8.66	-64.36
O=C([O-])C1=CC(C[NH2+]CC2=NC3=C(CCCC3)S2)=CC=C1C(F)(F)F	REAL300018682915	1	42	0.0	-77.93	359.93	9.35	-68.58
O=C([O-])C1=CC(C[NH2+]CC2=CC=NC=C2Br)=CC=C1C(F)(F)F	REAL300018682916	1	35	0.0	-75.38	322.26	8.41	-66.97
O=C([O-])C1=CC(C[NH2+]CC2=CC=NC=C2Cl)=CC=C1C(F)(F)F	REAL300018682917	1	35	0.0	-76.25	318.66	8.31	-67.94
CC(C)(C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)N1CCOCC1	REAL300018682918	0	48	0.0	-74.66	364.62	6.63	-68.03
CCC([NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCCC1	REAL300018682919	0	45	0.0	-70.45	343.63	10.21	-60.24
CC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=NN1C	REAL300018682920	1	39	0.0	-74.35	333.77	7.78	-66.57
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682921	0	42	0.0	-74.17	360.57	11.82	-62.35
CN1C=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C2=CC=CC=C2)=N1	REAL300018682922	0	46	0.0	-78.44	390.84	10.77	-67.67
CCC1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682923	0	40	0.0	-85.78	344.36	8.19	-77.59
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC(N3C=CC=N3)=C2)=CC=C1C(F)(F)F	REAL300018682924	0	43	0.0	-84.32	369.83	10.80	-73.52
CCN1C=NC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682926	0	39	0.0	-79.06	328.18	9.75	-69.31
CC1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N1C	REAL300018682927	0	39	0.0	-84.89	332.35	8.61	-76.28
O=C([O-])C1=CC(C[NH2+]CC2=CC3=CC=NC=C3C=C2)=CC=C1C(F)(F)F	REAL300018682928	0	41	0.0	-86.15	352.41	10.09	-76.06
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=NNC=C32)=CC=C1C(F)(F)F	REAL300018682929	0	39	0.0	-87.90	337.53	8.31	-79.59
O=C([O-])C1=CC(C[NH2+]CC2=CC=CC3=CNN=C32)=CC=C1C(F)(F)F	REAL300018682930	0	39	0.0	-77.12	337.68	8.29	-68.83
O=C([O-])C1=CC(C[NH2+]CC2=CN=C3CCCN23)=CC=C1C(F)(F)F	REAL300018682931	0	40	0.0	-84.06	337.41	9.19	-74.87
CS(=O)(=O)N1CCC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CC1	REAL300018682932	0	44	0.0	-87.92	365.14	5.45	-82.47
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(F)C=N2)=CC=C1C(F)(F)F	REAL300018682933	0	35	0.0	-83.21	312.79	7.87	-75.34
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)SC=N1	REAL300018682934	0	35	0.0	-79.59	315.32	7.37	-72.22
COC1=CC(F)=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682935	0	40	0.0	-82.99	347.32	8.97	-74.02
CC(CC1=CN=CC=N1)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682936	0	40	0.0	-71.80	333.94	8.00	-63.80
CC(C)(C)C1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=N1	REAL300018682937	0	46	0.0	-85.32	383.04	9.56	-75.76
CC1=NOC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682938	1	35	0.0	-83.38	308.33	7.78	-75.60
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CO1	REAL300018682939	0	36	0.0	-76.27	311.32	8.41	-67.86
CC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(Cl)=C1	REAL300018682940	0	39	0.0	-76.44	345.52	10.71	-65.73
O=C([O-])C1=CC(C[NH2+]CC2=CC=C([N+](=O)[O-])C(Cl)=C2)=CC=C1C(F)(F)F	REAL300018682941	0	38	0.0	-98.92	352.08	10.64	-88.28
O=C([O-])C1=CC(C[NH2+]CCC2=CC=CC(Cl)=C2)=CC=C1C(F)(F)F	REAL300018682942	0	39	0.0	-80.65	349.65	10.90	-69.75
O=C([O-])C1=CC(C[NH2+]C2CCCC2C2=CC=CC=C2)=CC=C1C(F)(F)F	REAL300018682944	0	46	0.0	-74.32	369.59	11.91	-62.41
O=C([O-])C1=CC(C[NH2+]CC2=CC(Cl)=CC3=CC=CN=C32)=CC=C1C(F)(F)F	REAL300018682945	0	41	0.0	-75.35	367.88	10.66	-64.69
O=C([O-])C1=CC(C[NH2+]CC2=C(Cl)C=CC3=CC=CN=C32)=CC=C1C(F)(F)F	REAL300018682946	0	41	0.0	-67.84	365.15	10.55	-57.29
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(F)C3=CC=CN=C23)=CC=C1C(F)(F)F	REAL300018682947	0	41	0.0	-79.67	356.78	10.18	-69.49
O=C([O-])C1=CC(C[NH2+]CC2=CC(F)=CC3=CC=CN=C32)=CC=C1C(F)(F)F	REAL300018682948	0	41	0.0	-76.50	357.58	10.22	-66.28
O=C([O-])C1=CC(C[NH2+]CC2=CC=C(Cl)C3=CC=CN=C23)=CC=C1C(F)(F)F	REAL300018682949	0	41	0.0	-78.86	365.64	10.57	-68.29
CS(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682950	0	41	0.0	-88.15	363.62	8.20	-79.95
O=C([O-])C1=CC(C[NH2+]CC2=CC=C([N+](=O)[O-])C=C2Cl)=CC=C1C(F)(F)F	REAL300018682951	1	38	0.0	-92.03	352.33	10.72	-81.31
CC(C)CCN1C=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682952	0	49	0.0	-75.98	398.25	12.01	-63.97
CCC1CC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CCO1	REAL300018682953	0	43	0.0	-76.60	343.39	8.21	-68.39
CC(C)C1CC([NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)CCO1	REAL300018682954	0	46	0.0	-76.69	360.40	8.74	-67.95
O=C([O-])C1=CC(C[NH2+]CC2=CC=C3CCCCC3=C2)=CC=C1C(F)(F)F	REAL300018682955	0	46	0.0	-77.17	374.10	12.10	-65.07
O=C([O-])C1=CC(C[NH2+]C2CCC(C3CCCCC3)CC2)=CC=C1C(F)(F)F	REAL300018682956	0	55	0.0	-70.98	401.38	12.82	-58.16
CC(C)CC(C)CC(C)[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682957	0	50	0.0	-71.73	382.56	11.15	-60.58
CCC1CCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682958	0	39	0.0	-72.04	320.49	9.26	-62.78
CC1=CC=C(C(C)C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682959	0	45	0.0	-77.11	368.83	11.59	-65.52
COC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1C(C)(C)C	REAL300018682960	0	52	0.0	-79.53	412.08	11.60	-67.93
COCC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300018682961	0	40	0.0	-78.64	347.73	7.63	-71.01
CC(C)(C)OC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682962	0	49	0.0	-77.08	391.81	10.74	-66.34
CC(C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1)C1CCCCC1	REAL300018682963	0	48	0.0	-74.70	367.26	11.06	-63.64
NS(=O)(=O)C1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=C1	REAL300018682964	0	41	0.0	-92.29	365.59	4.57	-87.72
CCC(CC)(CC)C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682965	0	47	0.0	-72.68	349.94	10.10	-62.58
O=C([O-])C1=CC(C[NH2+]C2CCC3=CC=CC(Cl)=C3C2)=CC=C1C(F)(F)F	REAL300018682967	0	43	0.0	-77.92	362.81	11.58	-66.34
CC1=CNC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=N1	REAL300018682968	1	36	0.0	-83.26	312.76	6.93	-76.33
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C(C)=C1	REAL300018682969	0	46	0.0	-79.27	377.58	10.47	-68.80
COC1=CC(C)=CC=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682970	0	43	0.0	-74.10	360.96	9.63	-64.47
O=C([O-])C1=CC(C[NH2+]CC2CCC3=CC=CC=C3C2)=CC=C1C(F)(F)F	REAL300018682971	0	46	0.0	-80.56	370.94	12.06	-68.50
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682972	0	38	0.0	-82.00	353.02	8.72	-73.28
O=C([O-])C1=CC(C[NH2+]C2CCC(C3=CC=C(F)C=C3)C2)=CC=C1C(F)(F)F	REAL300018682973	0	46	0.0	-80.33	378.29	12.02	-68.31
CC1=NC(C)=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)O1	REAL300018682974	1	38	0.0	-80.90	329.46	5.75	-75.15
COCC1=CSC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682975	0	40	0.0	-78.50	356.93	8.44	-70.06
CCCC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682976	0	42	0.0	-76.66	366.50	11.07	-65.59
CC1=CC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)N=C1	REAL300018682977	0	38	0.0	-78.25	327.82	8.44	-69.81
O=C([O-])C1=CC(C[NH2+]CC2=CC=NS2)=CC=C1C(F)(F)F	REAL300018682978	0	32	0.0	-84.30	296.21	7.43	-76.87
CC(C)N1C=CN=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682979	1	42	0.0	-76.04	352.26	9.42	-66.62
CC1=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)C=CC=C1[N+](=O)[O-]	REAL300018682980	0	41	0.0	-94.18	351.71	10.87	-83.31
COC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CC=C1Cl	REAL300018682981	0	40	0.0	-85.38	356.94	9.45	-75.93
CC1=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CS1	REAL300018682982	0	36	0.0	-77.42	323.27	9.36	-68.06
COC1=CC=CC(C)=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682983	0	43	0.0	-73.81	356.58	9.49	-64.32
O=C([O-])C1=CC(C[NH2+]CC2=C3OC=CC3=CC=C2)=CC=C1C(F)(F)F	REAL300018682984	0	39	0.0	-79.03	338.74	9.93	-69.10
O=C([O-])C1=CC(C[NH2+]CC2=NN(C3=CC=CC=C3)C=C2)=CC=C1C(F)(F)F	REAL300018682985	1	43	0.0	-81.46	370.30	10.73	-70.73
O=C([O-])C1=CC(C[NH2+]CC2=CN=C(C(F)(F)F)S2)=CC=C1C(F)(F)F	REAL300018682986	1	35	0.0	-87.61	337.48	8.02	-79.59
CC1CSCC1[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682987	0	37	0.0	-78.88	312.71	8.78	-70.10
CCC1=NN(C)C=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682988	0	42	0.0	-81.01	355.35	8.74	-72.27
O=C([O-])C1=CC(C[NH2+]CC2=NN3CCCCC3=C2)=CC=C1C(F)(F)F	REAL300018682989	1	43	0.0	-73.90	356.01	8.94	-64.96
CCC1=CC=CC(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=C1	REAL300018682990	0	42	0.0	-77.41	354.30	11.04	-66.37
COC1=NC=C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)S1	REAL300018682991	0	36	0.0	-81.44	328.92	5.22	-76.22
O=C([O-])C1=CC(C[NH2+]C2CC3=CC=C(Cl)C=C3C2)=CC=C1C(F)(F)F	REAL300018682992	0	40	0.0	-82.12	349.92	11.21	-70.91
CC1=NC=CN=C1C[NH2+]CC1=CC=C(C(F)(F)F)C(C(=O)[O-])=C1	REAL300018682993	1	37	0.0	-81.62	318.38	6.42	-75.20
O=C([O-])C1=CC(C[NH2+]C2CCC3(CC3)CC2)=CC=C1C(F)(F)F	REAL300018682994	0	43	0.0	-74.40	341.70	10.30	-64.10
O=C([O-])C1=CC(C[NH2+]CC2=CC3=C(C=N2)OCCO3)=CC=C1C(F)(F)F	REAL300018682995	1	41	0.0	-77.91	350.84	6.97	-70.94
O=C([O-])C1=CC(C[NH2+]CC2=CN=C3C=CC(Cl)=CN23)=CC=C1C(F)(F)F	REAL300018682996	0	39	0.0	-84.52	354.97	10.55	-73.97
O=C([O-])C1=CC(C[NH2+]C2C[C@@H]3CC[C@@H](C3)C2)=CC=C1C(F)(F)F	REAL300018682997	0	43	0.0	-69.59	312.05	10.49	-59.10
CC1=CC=CN2C(C[NH2+]CC3=CC=C(C(F)(F)F)C(C(=O)[O-])=C3)=CN=C12	REAL300018682998	0	42	0.0	-83.82	359.69	10.64	-73.18
CN1C(C[NH2+]CC2=CC=C(C(F)(F)F)C(C(=O)[O-])=C2)=CN=C1Cl	REAL300018683000	0	36	0.0	-85.68	327.74	8.47	-77.21
CC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1F	REAL300018687924	0	36	0.0	-34.00	307.23	9.04	-24.96
O=C([O-])[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2[N+](=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687926	0	35	0.0	-35.15	319.00	9.20	-25.95
CC1(C)CC([NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC(C)(C)C1	REAL300018687927	0	48	0.0	-27.26	350.60	9.63	-17.63
O=C([O-])[C@@]1(C[NH2+]C2CCC3=CC(Br)=CC=C3C2)C[C@@H]1C(F)(F)F	REAL300018687928	0	40	0.0	-32.17	339.10	10.47	-21.70
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687929	0	46	0.0	-31.44	369.40	10.50	-20.94
COC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C(Cl)=C1OC	REAL300018687930	0	41	0.0	-37.34	357.17	7.89	-29.45
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CS3)C=C2)C[C@@H]1C(F)(F)F	REAL300018687931	0	40	0.0	-35.45	347.88	10.95	-24.50
O=C([O-])[C@@]1(C[NH2+]CC2=CC3=CC=CC=C3S2)C[C@@H]1C(F)(F)F	REAL300018687932	0	36	0.0	-35.70	317.90	9.87	-25.83
CC(C)OC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300018687933	0	43	0.0	-34.87	349.79	9.18	-25.69
CCCCCCCOC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300018687934	0	55	0.0	-34.62	439.36	12.48	-22.14
CC(C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F)CC1=CC=C(C(C)(C)C)C=C1	REAL300018687935	0	54	0.0	-32.52	413.46	12.70	-19.82
CC1=CC(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=CC=C1F	REAL300018687936	0	36	0.0	-35.96	307.25	9.03	-26.93
O=C([O-])[C@@]1(C[NH2+]CC2=C3NC=CC3=CC=C2)C[C@@H]1C(F)(F)F	REAL300018687937	0	37	0.0	-39.91	313.89	8.12	-31.79
O=C([O-])[C@@]1(C[NH2+]CC2=CSC([N+](=O)[O-])=C2)C[C@@H]1C(F)(F)F	REAL300018687938	0	32	0.0	-46.95	301.91	8.23	-38.72
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC=C2N2CCOCC2)C[C@@H]1C(F)(F)F	REAL300018687939	0	46	0.0	-35.22	367.10	7.67	-27.55
CC(C)CC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300018687940	0	45	0.0	-31.87	361.66	11.01	-20.86
CC1=CC=C(C2=CC=CC(C[NH2+]C[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=C2)C=C1	REAL300018687941	0	46	0.0	-35.01	376.15	12.41	-22.60
CC1=CC(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=CC(C)=C1	REAL300018687942	0	39	0.0	-32.09	323.33	9.65	-22.44
COC1=CC=C(Br)C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300018687943	0	37	0.0	-37.30	327.46	7.99	-29.31
COC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1[N+](=O)[O-]	REAL300018687944	0	39	0.0	-43.45	336.04	9.07	-34.38
O=C([O-])[C@@]1(C[NH2+]CC2=CC(Cl)=CC(Cl)=C2)C[C@@H]1C(F)(F)F	REAL300018687945	0	33	0.0	-35.53	313.98	9.34	-26.19
CC1=CC=CC(C)=C1C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687946	0	39	0.0	-30.98	313.69	9.40	-21.58
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300018687947	0	46	0.0	-33.02	376.59	12.41	-20.61
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC(OC(F)F)=C2)C[C@@H]1C(F)(F)F	REAL300018687948	0	37	0.0	-38.14	321.12	8.01	-30.13
CCOC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1OCC	REAL300018687949	0	47	0.0	-38.14	382.97	9.37	-28.77
CC(C)C1CCC([NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)CC1	REAL300018687950	0	45	0.0	-31.05	328.01	9.62	-21.43
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(Cl)C(C(F)(F)F)=C2)C[C@@H]1C(F)(F)F	REAL300018687951	0	36	0.0	-40.87	332.42	9.74	-31.13
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(F)C=C2Br)C[C@@H]1C(F)(F)F	REAL300018687952	0	33	0.0	-41.21	304.34	8.77	-32.44
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C3OC(F)(F)OC3=C2)C[C@@H]1C(F)(F)F	REAL300018687953	0	36	0.0	-39.58	320.15	7.43	-32.15
O=C([O-])[C@@]1(C[NH2+]CC2=CC=NC3=CC=CC=C23)C[C@@H]1C(F)(F)F	REAL300018687954	0	38	0.0	-38.62	317.00	8.59	-30.03
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC(OC(F)(F)F)=C2)C[C@@H]1C(F)(F)F	REAL300018687955	0	37	0.0	-36.58	327.86	8.22	-28.36
CS(=O)(=O)C1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300018687956	0	39	0.0	-44.50	341.21	5.85	-38.65
COC1=CC=CC=C1C1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=C1	REAL300018687957	0	47	0.0	-35.66	388.74	11.39	-24.27
CC(CCOCC1=CC=CC=C1)[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687958	0	46	0.0	-31.25	371.53	9.73	-21.52
O=C([O-])[C@@]1(C[NH2+]C2CC(C3=CC=C(Cl)C=C3)C2)C[C@@H]1C(F)(F)F	REAL300018687959	0	40	0.0	-32.69	340.06	10.63	-22.06
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(C3=CC=C(Cl)C=C3)C=C2)C[C@@H]1C(F)(F)F	REAL300018687960	0	43	0.0	-41.70	373.44	12.05	-29.65
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=C(Cl)C=C3)=C2)C[C@@H]1C(F)(F)F	REAL300018687961	0	43	0.0	-35.35	371.47	12.26	-23.09
COC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C2=CC=CC=C12	REAL300018687962	0	43	0.0	-40.57	351.92	9.59	-30.98
CCC1=CC=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)S1	REAL300018687963	0	36	0.0	-38.77	316.16	8.79	-29.98
CN1C2=CC=CC=C2N=C1C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687964	0	39	0.0	-39.68	328.94	8.46	-31.22
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C3OCCC3=C2)C[C@@H]1C(F)(F)F	REAL300018687965	0	38	0.0	-35.61	316.40	8.18	-27.43
O=C([O-])[C@@]1(C[NH2+]CC2=CSC(Br)=C2)C[C@@H]1C(F)(F)F	REAL300018687966	0	30	0.0	-39.67	294.18	7.80	-31.87
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=NC=C2)C[C@@H]1C(F)(F)F	REAL300018687967	0	46	0.0	-30.72	385.31	9.91	-20.81
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC=C2OCC2=CC=CN=C2)C[C@@H]1C(F)(F)F	REAL300018687968	0	46	0.0	-31.07	385.26	9.90	-21.17
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(N3CCCC3)N=C2)C[C@@H]1C(F)(F)F	REAL300018687969	0	44	0.0	-35.53	354.44	8.24	-27.29
CS(=O)(=O)NC1=CC=CC(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300018687970	0	41	0.0	-37.91	357.78	4.95	-32.96
O=C([O-])[C@@]1(C[NH2+]CC2=C3C=CNC3=CC=C2)C[C@@H]1C(F)(F)F	REAL300018687971	0	37	0.0	-37.72	313.71	8.14	-29.58
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C3C=CNC3=C2)C[C@@H]1C(F)(F)F	REAL300018687972	0	37	0.0	-37.43	313.23	8.45	-28.98
CC(CC1=CC=CS1)[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687973	0	36	0.0	-30.55	305.94	8.76	-21.79
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC3=C2OC(F)(F)O3)C[C@@H]1C(F)(F)F	REAL300018687974	0	36	0.0	-33.64	320.08	7.42	-26.22
CC1=CC(F)=CC=C1C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687975	0	36	0.0	-34.68	301.72	9.03	-25.65
CC1(C)CCC2=CC(C[NH2+]C[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)=CC=C2O1	REAL300018687976	0	47	0.0	-34.51	371.14	10.15	-24.36
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687977	0	48	0.0	-29.92	359.82	11.25	-18.67
CN(C)C1=CC=CC=C1C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687978	0	41	0.0	-33.30	333.64	8.16	-25.14
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=CN=C3)=C2)C[C@@H]1C(F)(F)F	REAL300018687979	0	42	0.0	-37.41	349.75	9.97	-27.44
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC(C3=CC=NC=C3)=C2)C[C@@H]1C(F)(F)F	REAL300018687980	0	42	0.0	-37.50	349.95	9.98	-27.52
CN1CCN(C2=CC=C(C[NH2+]C[C@]3(C(=O)[O-])C[C@@H]3C(F)(F)F)C=C2)CC1	REAL300018687981	1	50	0.0	-39.89	391.74	6.82	-33.07
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]C[C@]1(C(=O)[O-])C[C@@H]1C(F)(F)F	REAL300018687982	0	49	0.0	-32.92	383.68	5.84	-27.08
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(OC3=CN=CC=N3)C=C2)C[C@@H]1C(F)(F)F	REAL300018687983	0	42	0.0	-38.85	361.85	6.82	-32.03
O=C([O-])[C@@]1(C[NH2+]C2CCN(C3=CN=CC=N3)CC2)C[C@@H]1C(F)(F)F	REAL300018687984	0	43	0.0	-33.73	340.43	6.17	-27.56
O=C([O-])[C@@]1(C[NH2+]C2CCN(CC3=CC=C(Cl)C=C3)CC2)C[C@@H]1C(F)(F)F	REAL300018687985	0	48	0.0	-30.72	389.86	9.34	-21.38
O=C([O-])[C@@]1(C[NH2+]C2CCN(CC3=CC=CC=C3Cl)CC2)C[C@@H]1C(F)(F)F	REAL300018687986	0	48	0.0	-29.19	388.65	9.43	-19.76
O=C([O-])[C@@]1(C[NH2+]C2CCN(CC3=CC=CC=N3)CC2)C[C@@H]1C(F)(F)F	REAL300018687987	0	47	0.0	-31.50	367.19	7.26	-24.24
O=C([O-])[C@@]1(C[NH2+]CC2=CN(C3=CC=C(F)C=C3)N=C2)C[C@@H]1C(F)(F)F	REAL300018687988	0	40	0.0	-40.49	345.76	9.61	-30.88
O=C([O-])[C@@]1(C[NH2+]CC2=CN(C3=CC=C(Cl)C=C3)N=C2)C[C@@H]1C(F)(F)F	REAL300018687989	0	40	0.0	-39.99	356.08	10.06	-29.93
CC(C)(C)N1C=C(C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)C=N1	REAL300018687990	0	42	0.0	-34.35	343.30	8.15	-26.20
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(OCC(F)(F)F)C=C2)C[C@@H]1C(F)(F)F	REAL300018687992	0	40	0.0	-36.26	351.44	9.02	-27.24
O=C([O-])[C@@]1(C[NH2+]CC2=CC(Cl)=CC=C2OC(F)F)C[C@@H]1C(F)(F)F	REAL300018687994	0	37	0.0	-39.86	337.09	8.26	-31.60
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(C3=CC=CC(Cl)=C3)S2)C[C@@H]1C(F)(F)F	REAL300018687995	0	40	0.0	-41.07	367.08	11.42	-29.65
O=C([O-])[C@@]1(C[NH2+]CC2=CNN=C2C2=CC=C3OCOC3=C2)C[C@@H]1C(F)(F)F	REAL300018687996	0	43	0.0	-41.15	362.57	6.85	-34.30
COC1=CC=CC(C2=NNC=C2C[NH2+]C[C@]2(C(=O)[O-])C[C@@H]2C(F)(F)F)=C1	REAL300018687997	0	44	0.0	-39.24	366.35	7.48	-31.76
O=C([O-])[C@@]1(C[NH2+]CC2=CN=C(N3CCCC3)N=C2)C[C@@H]1C(F)(F)F	REAL300018687998	0	43	0.0	-40.22	349.54	8.21	-32.01
O=C([O-])[C@@]1(C[NH2+]CC2=CC=C(OCC3=CC=NC=C3)C=C2)C[C@@H]1C(F)(F)F	REAL300018687999	0	46	0.0	-37.15	386.66	9.85	-27.30
O=C([O-])[C@@]1(C[NH2+]CC2=CC=CC(OCC3=CC=CC=N3)=C2)C[C@@H]1C(F)(F)F	REAL300018688000	0	46	0.0	-35.83	384.56	9.92	-25.91
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])(C1)OC2	REAL300018692302	0	40	0.0	-69.22	338.70	8.14	-61.08
CC1(C)CC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC(C)(C)C1	REAL300018692303	0	53	0.0	-67.33	371.98	8.41	-58.92
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC(Br)=CC=C4C3)(C1)OC2	REAL300018692304	0	45	0.0	-75.00	360.56	9.24	-65.76
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692305	0	51	0.0	-72.24	391.13	9.23	-63.01
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(Cl)=C1OC	REAL300018692306	0	46	0.0	-70.91	376.77	6.84	-64.07
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)OC2	REAL300018692307	0	45	0.0	-73.49	369.48	9.69	-63.80
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)OC2	REAL300018692308	0	41	0.0	-73.59	339.64	8.61	-64.98
CC(C)OC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692309	0	48	0.0	-73.95	371.54	7.92	-66.03
CCCCCCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692310	0	60	0.0	-73.47	461.10	11.22	-62.25
CC(C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2)CC1=CC=C(C(C)(C)C)C=C1	REAL300018692311	0	59	0.0	-70.29	435.04	11.44	-58.85
O=C([O-])C12CCC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)OC2	REAL300018692312	0	42	0.0	-73.56	333.41	7.09	-66.47
O=C([O-])C12CCC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)(C1)OC2	REAL300018692313	0	37	0.0	-85.28	322.17	6.87	-78.41
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3N3CCOCC3)(C1)OC2	REAL300018692314	0	51	0.0	-67.69	386.57	6.65	-61.04
CC(C)CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692315	0	50	0.0	-69.41	383.31	9.75	-59.66
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=C2)C=C1	REAL300018692316	0	51	0.0	-73.16	397.73	11.15	-62.01
COC1=CC=C(Br)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692317	0	42	0.0	-67.76	347.15	6.95	-60.81
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1[N+](=O)[O-]	REAL300018692318	0	44	0.0	-87.02	357.64	7.80	-79.22
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)OC2	REAL300018692319	0	38	0.0	-77.05	335.72	8.08	-68.97
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692320	0	51	0.0	-72.17	398.19	11.15	-61.02
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)OC2	REAL300018692321	0	42	0.0	-75.17	341.37	6.65	-68.52
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CC=C(C(F)(F)F)C=C3)(C1)OC2	REAL300018692322	0	48	0.0	-76.72	396.84	7.91	-68.81
CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OCC	REAL300018692323	0	52	0.0	-77.69	404.71	8.10	-69.59
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)(C1)OC2	REAL300018692324	0	41	0.0	-80.37	354.01	8.48	-71.89
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(F)C=C3Br)(C1)OC2	REAL300018692325	0	38	0.0	-70.12	324.94	7.68	-62.44
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)OC2	REAL300018692326	0	41	0.0	-83.24	341.65	6.19	-77.05
O=C([O-])C12CCC(C[NH2+]CC3=CC=NC4=CC=CC=C34)(C1)OC2	REAL300018692327	0	43	0.0	-78.57	338.57	7.33	-71.24
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)(C1)OC2	REAL300018692328	0	42	0.0	-75.10	348.12	6.86	-68.24
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692329	0	44	0.0	-84.33	362.95	4.59	-79.74
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692330	0	52	0.0	-74.59	410.47	10.13	-64.46
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692331	0	51	0.0	-68.32	393.10	8.46	-59.86
O=C([O-])C12CCC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)(C1)OC2	REAL300018692332	0	45	0.0	-73.94	361.44	9.41	-64.53
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)(C1)OC2	REAL300018692333	0	48	0.0	-74.19	393.05	11.00	-63.19
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)(C1)OC2	REAL300018692334	0	48	0.0	-74.83	393.06	10.99	-63.84
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=CC(C(F)(F)F)=C4)O3)(C1)OC2	REAL300018692335	0	48	0.0	-76.68	401.54	9.96	-66.72
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C2=CC=CC=C12	REAL300018692336	0	48	0.0	-75.27	371.58	8.55	-66.72
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692337	0	44	0.0	-76.20	348.67	7.41	-68.79
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)OC2	REAL300018692338	0	43	0.0	-76.07	338.15	6.91	-69.16
O=C([O-])C12CCC(C[NH2+]CC3=CSC(Br)=C3)(C1)OC2	REAL300018692339	0	35	0.0	-73.27	313.77	6.74	-66.53
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OCC1=CC=CN=C1	REAL300018692340	0	55	0.0	-81.20	437.47	8.46	-72.74
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3OCC3=CC=NC=C3)(C1)OC2	REAL300018692341	0	51	0.0	-69.28	406.98	8.64	-60.64
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C(C2=CC=CC=C2)C=C1OC	REAL300018692342	0	56	0.0	-69.54	433.59	9.66	-59.88
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)(C1)OC2	REAL300018692343	0	51	0.0	-68.25	407.00	8.62	-59.63
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)OC2	REAL300018692344	0	49	0.0	-76.51	376.18	6.97	-69.54
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692345	0	46	0.0	-83.95	375.70	3.78	-80.17
O=C([O-])C12CCC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)OC2	REAL300018692346	0	42	0.0	-68.73	333.29	7.09	-61.64
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)OC2	REAL300018692347	0	42	0.0	-74.54	333.62	7.09	-67.45
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)(C1)OC2	REAL300018692348	0	41	0.0	-74.02	341.82	6.16	-67.86
CC1(C)CCC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CC=C2O1	REAL300018692349	0	52	0.0	-72.74	392.74	8.89	-63.85
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692350	0	53	0.0	-66.54	381.24	10.02	-56.52
CN(C)C1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692351	0	46	0.0	-65.34	353.34	7.11	-58.23
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(C4=CC=CN=C4)=C3)(C1)OC2	REAL300018692352	0	47	0.0	-74.89	371.35	8.71	-66.18
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(C4=CC=NC=C4)=C3)(C1)OC2	REAL300018692353	0	47	0.0	-78.14	371.67	8.72	-69.42
CN1CCN(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=C2)CC1	REAL300018692354	1	55	0.0	-72.71	411.47	5.77	-66.94
CC1=NN(C)C(N2CCOCC2)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692355	0	54	0.0	-71.94	406.47	4.61	-67.33
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC4=CN=CC=N4)C=C3)(C1)OC2	REAL300018692356	0	47	0.0	-79.23	383.59	5.56	-73.67
O=C([O-])C12CCC(C[NH2+]C3CCN(C4=CN=CC=N4)CC3)(C1)OC2	REAL300018692357	0	48	0.0	-73.48	362.03	4.89	-68.59
O=C([O-])C12CCC(C[NH2+]C3CCN(CC4=CC=C(Cl)C=C4)CC3)(C1)OC2	REAL300018692358	0	53	0.0	-69.99	411.04	8.14	-61.85
O=C([O-])C12CCC(C[NH2+]C3CCN(CC4=CC=CC=C4Cl)CC3)(C1)OC2	REAL300018692359	0	53	0.0	-67.35	409.62	8.08	-59.27
O=C([O-])C12CCC(C[NH2+]C3CCN(CC4=CC=CC=N4)CC3)(C1)OC2	REAL300018692360	0	52	0.0	-69.46	389.72	5.78	-63.68
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=C3)(C1)OC2	REAL300018692361	0	45	0.0	-79.42	367.50	8.35	-71.07
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692362	0	51	0.0	-77.51	416.38	9.69	-67.82
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4=CC=C(Cl)C=C4)N=C3)(C1)OC2	REAL300018692363	0	45	0.0	-78.81	377.82	8.80	-70.01
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692364	0	51	0.0	-80.00	413.25	9.41	-70.59
CC(C)(C)N1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=N1	REAL300018692365	0	47	0.0	-73.22	365.02	6.89	-66.33
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC(C)=C1OCC1=CC=CC=N1	REAL300018692366	0	57	0.0	-76.88	450.38	10.27	-66.61
CN1CCN(C2=CC=CC(Cl)=C2C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692367	1	55	0.0	-62.13	427.84	6.88	-55.25
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OCC(F)(F)F)C=C3)(C1)OC2	REAL300018692369	0	45	0.0	-77.24	373.18	7.76	-69.48
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC=C3OC(F)F)(C1)OC2	REAL300018692371	0	42	0.0	-73.52	356.88	7.21	-66.31
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=CC(Cl)=C4)S3)(C1)OC2	REAL300018692372	0	45	0.0	-73.21	386.70	10.36	-62.85
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CC=C4OCOC4=C3)(C1)OC2	REAL300018692373	0	48	0.0	-73.51	384.51	5.56	-67.95
COC1=CC=CC(C2=NNC=C2C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692374	0	49	0.0	-76.00	388.22	6.22	-69.78
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1OCC(F)(F)F	REAL300018692375	0	49	0.0	-81.29	402.43	7.65	-73.64
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(N4CCCC4)N=C3)(C1)OC2	REAL300018692376	0	48	0.0	-78.90	371.14	6.95	-71.95
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OCC4=CC=NC=C4)C=C3)(C1)OC2	REAL300018692377	0	51	0.0	-76.29	408.27	8.59	-67.70
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=N4)=C3)(C1)OC2	REAL300018692378	0	51	0.0	-74.32	406.15	8.66	-65.66
CC(C)C1=NN(C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692380	0	47	0.0	-74.77	367.47	6.71	-68.06
O=C([O-])C12CCC(C[NH2+]CC3=CC(Br)=C4OCCOC4=C3)(C1)OC2	REAL300018692381	0	44	0.0	-78.50	366.90	6.91	-71.59
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(N4C=CC(C(F)(F)F)=N4)C=C3)(C1)OC2	REAL300018692382	0	48	0.0	-82.59	401.78	9.23	-73.36
COCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692383	0	49	0.0	-72.14	387.10	6.57	-65.57
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1Cl	REAL300018692384	0	42	0.0	-76.94	347.79	6.92	-70.02
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(Br)=CC=C4OC3)(C1)OC2	REAL300018692385	0	44	0.0	-76.90	369.59	8.18	-68.72
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(Cl)=CC(Cl)=C4OC3)(C1)OC2	REAL300018692386	0	44	0.0	-79.59	381.15	8.62	-70.97
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4=CC=CC=N4)=N3)(C1)OC2	REAL300018692387	0	43	0.0	-74.98	362.52	5.99	-68.99
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)(C1)OC2	REAL300018692388	0	46	0.0	-71.29	366.39	6.79	-64.50
CC(C)N1C2=CC=CC=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692389	0	50	0.0	-73.91	383.49	8.64	-65.27
COC1=NC=C(Br)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692390	0	41	0.0	-69.60	349.23	4.43	-65.17
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Br)C=N3)(C1)OC2	REAL300018692391	0	37	0.0	-73.30	318.41	5.85	-67.45
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(N4CCOCC4)S3)(C1)OC2	REAL300018692392	0	47	0.0	-75.43	375.94	4.38	-71.05
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=NC=CC=C34)(C1)OC2	REAL300018692393	0	43	0.0	-78.10	338.21	7.31	-70.79
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OCC(F)(F)F)=C3)(C1)OC2	REAL300018692394	0	45	0.0	-73.56	373.05	7.76	-65.80
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3OCCO4)(C1)OC2	REAL300018692395	0	44	0.0	-68.46	345.03	6.28	-62.18
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3OCCCO4)(C1)OC2	REAL300018692396	0	47	0.0	-70.63	361.95	7.09	-63.54
O=C([O-])C12CCC(C[NH2+]C3CC(C4=CC=CC(Cl)=C4)C3)(C1)OC2	REAL300018692397	0	45	0.0	-72.09	362.40	9.40	-62.69
O=C([O-])C12CCC(C[NH2+]C3CC(C4=CC=CC(Br)=C4)C3)(C1)OC2	REAL300018692398	0	45	0.0	-72.04	366.97	9.50	-62.54
O=C([O-])C12CCC(C[NH2+]C3CC(C4=CC=CC=C4Cl)C3)(C1)OC2	REAL300018692399	0	45	0.0	-70.66	358.47	9.30	-61.36
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)N=C3)(C1)OC2	REAL300018692400	0	46	0.0	-80.06	371.28	8.35	-71.71
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(N4CCOCC4)N=C3)(C1)OC2	REAL300018692401	0	49	0.0	-81.45	380.41	5.44	-76.01
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692402	0	50	0.0	-74.98	387.89	9.13	-65.85
CCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692403	0	48	0.0	-70.68	374.97	8.09	-62.59
C#CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692404	0	47	0.0	-74.75	380.89	8.62	-66.13
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CS3)(C1)OC2	REAL300018692405	0	45	0.0	-72.24	368.16	9.65	-62.59
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(F)C(C4=CC=CS4)=C3)(C1)OC2	REAL300018692406	0	45	0.0	-77.25	378.83	9.84	-67.41
CC1=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=NC2=NN1	REAL300018692407	0	43	0.0	-88.45	345.32	5.59	-82.86
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OC4CCCC4)=C3)(C1)OC2	REAL300018692408	0	52	0.0	-70.37	396.21	9.27	-61.10
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3N3C=NC=N3)(C1)OC2	REAL300018692409	0	44	0.0	-66.59	346.36	10.19	-56.40
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC=CN=C2)=N1	REAL300018692410	0	47	0.0	-74.42	376.19	6.44	-67.98
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC=NC=C2)=N1	REAL300018692411	0	47	0.0	-77.44	376.46	6.46	-70.98
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4C=CC=CN34)(C1)OC2	REAL300018692412	0	41	0.0	-77.28	328.96	7.51	-69.77
CN(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)S1	REAL300018692413	0	42	0.0	-71.23	344.34	6.08	-65.15
CC(C)OC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692414	0	48	0.0	-70.47	371.40	7.92	-62.55
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC3=CC=CC=C3O2)=N1	REAL300018692415	0	51	0.0	-68.97	410.99	9.09	-59.88
CC1=CC=C(C2=NC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CS2)C=C1	REAL300018692416	0	47	0.0	-72.00	388.51	8.53	-63.47
CC(C)C1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CS1	REAL300018692417	0	43	0.0	-69.85	350.02	6.11	-63.74
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4CC4)=N3)(C1)OC2	REAL300018692418	0	41	0.0	-69.12	338.57	6.30	-62.82
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OCC4=CC=CC=C4F)=C3)(C1)OC2	REAL300018692419	0	52	0.0	-73.40	417.11	10.51	-62.89
O=C([O-])C12CCC(C[NH2+]CC3=CSC(COC4=CC=CC=C4)=N3)(C1)OC2	REAL300018692420	0	48	0.0	-74.02	398.69	7.38	-66.64
CC(CCC1=CC=CC(F)=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692421	0	47	0.0	-71.87	365.49	9.25	-62.62
CC1=CC=CC(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692422	0	50	0.0	-68.55	380.49	9.85	-58.70
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692423	0	50	0.0	-72.53	397.81	10.18	-62.35
CC1=CC=C(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692424	0	50	0.0	-68.46	380.48	9.85	-58.61
O=C([O-])C12CCC(C[NH2+]C3CCN(CC4=C(F)C=CC=C4Cl)CC3)(C1)OC2	REAL300018692425	0	53	0.0	-67.36	411.71	7.97	-59.39
CC(C1=CC=CC=C1)N1CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C1	REAL300018692426	0	53	0.0	-69.66	392.90	7.88	-61.78
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300018692427	0	50	0.0	-84.61	409.71	8.88	-75.73
O=C([O-])C12CCC(C[NH2+]C3CCN(CC4CC4)CC3)(C1)OC2	REAL300018692428	1	50	0.0	-67.26	368.60	6.27	-60.99
CC1=CC=C(OCC2=NC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CS2)C=C1	REAL300018692429	0	51	0.0	-72.68	419.96	8.05	-64.63
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692430	0	61	0.0	-71.27	462.76	11.43	-59.84
CC(C)(C)C1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CS1	REAL300018692431	0	46	0.0	-69.53	368.96	6.61	-62.92
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4=CSC=C4)=N3)(C1)OC2	REAL300018692432	0	41	0.0	-71.91	358.14	6.79	-65.12
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=CC(F)=C4)S3)(C1)OC2	REAL300018692433	0	45	0.0	-74.16	376.38	9.92	-64.24
O=C([O-])C12CCC(C[NH2+]C3CCN(C4=CC=C(F)C=C4F)CC3)(C1)OC2	REAL300018692434	0	50	0.0	-72.28	386.43	7.75	-64.53
O=C([O-])C12CCC(C[NH2+]CC3=CC4=NC=CN=C4C=C3)(C1)OC2	REAL300018692435	0	42	0.0	-79.90	338.16	5.49	-74.41
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3OC3CCCC3)(C1)OC2	REAL300018692436	0	52	0.0	-64.37	395.83	9.34	-55.03
O=C([O-])C12CCC(C[NH2+]CC3=CN4C=C(Cl)C=CC4=N3)(C1)OC2	REAL300018692437	0	41	0.0	-74.02	345.95	8.08	-65.94
CC(C)(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)S1	REAL300018692438	0	46	0.0	-71.37	368.96	6.86	-64.51
CC(C)CN1CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692439	1	52	0.0	-67.41	375.47	6.38	-61.03
COC1=CC=C(OCC2=CC=CC=N2)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692440	0	55	0.0	-71.18	434.26	7.98	-63.20
CC1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)S2)C=C1	REAL300018692441	0	48	0.0	-71.85	391.36	10.52	-61.33
O=C([O-])C12CCC(C[NH2+]CC3=CC([N+](=O)[O-])=CC=C3OC(F)F)(C1)OC2	REAL300018692442	0	44	0.0	-82.34	368.35	7.36	-74.98
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692443	0	42	0.0	-72.58	364.57	7.50	-65.08
C#CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692444	0	44	0.0	-76.25	359.40	7.84	-68.41
CCC(CCC1=CC=C(Br)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692445	0	50	0.0	-71.69	398.61	10.42	-61.27
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC4=CC(F)=CC(F)=C4)C=C3)(C1)OC2	REAL300018692446	0	49	0.0	-74.67	403.64	10.06	-64.61
CCOC1=C(OC)C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OC	REAL300018692447	0	53	0.0	-81.85	416.02	7.12	-74.73
O=C([O-])C12CCC(C[NH2+]C3CCN(CC4=CC=NC=C4)CC3)(C1)OC2	REAL300018692448	0	52	0.0	-71.63	388.34	5.70	-65.93
CC(C)(C)N1CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692449	1	52	0.0	-66.11	365.24	5.55	-60.56
COCCCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692450	0	52	0.0	-72.33	408.65	7.17	-65.16
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1SC	REAL300018692451	0	46	0.0	-77.92	371.17	7.41	-70.51
CCC(C)OC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1OC	REAL300018692452	0	55	0.0	-77.61	421.54	8.60	-69.01
C=C(C)COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1OC	REAL300018692453	0	53	0.0	-78.62	414.84	8.53	-70.09
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OCCC(C)C	REAL300018692454	0	58	0.0	-77.76	443.42	9.29	-68.47
O=C([O-])C12CCC(C[NH2+]C3CCN(CCN4CCOCC4)CC3)(C1)OC2	REAL300018692455	0	59	0.0	-69.63	422.46	2.99	-66.64
CCOCC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1OC	REAL300018692456	0	52	0.0	-71.76	405.84	7.28	-64.48
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NN3)(C1)OC2	REAL300018692457	0	45	0.0	-79.42	361.52	7.00	-72.42
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692458	0	47	0.0	-77.07	380.46	8.02	-69.05
CC1=NN(C)C(OCC(F)(F)F)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692459	0	48	0.0	-73.18	399.67	5.58	-67.60
CCCC(CC1=CC=CC=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692460	0	50	0.0	-64.67	370.07	9.65	-55.02
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4=CC=CC=C4)N=N3)(C1)OC2	REAL300018692461	0	44	0.0	-78.25	355.02	6.90	-71.35
O=C([O-])C12CCC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CS3)(C1)OC2	REAL300018692462	0	44	0.0	-73.86	365.21	7.86	-66.00
CCN1N=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C	REAL300018692463	0	47	0.0	-74.64	364.93	6.67	-67.97
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692464	0	50	0.0	-73.37	397.81	10.18	-63.19
C=CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1Cl	REAL300018692465	0	46	0.0	-77.16	382.55	8.42	-68.74
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)(C1)OC2	REAL300018692466	0	44	0.0	-73.72	367.15	8.09	-65.63
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692467	0	51	0.0	-73.13	395.30	8.14	-64.99
CC(C)CCC1CCCC1[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692468	0	53	0.0	-66.98	385.13	9.31	-57.67
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C2OC(C)CC2=C1	REAL300018692469	0	50	0.0	-67.38	388.55	6.95	-60.43
CN1N=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C2=CC=CC=C21	REAL300018692470	0	44	0.0	-74.27	352.20	6.98	-67.29
O=C([O-])C12CCC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)OC2	REAL300018692471	0	41	0.0	-82.41	329.01	5.69	-76.72
O=C([O-])C12CCC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)OC2	REAL300018692471	1	41	0.0	-74.39	329.35	5.69	-68.70
CN(C)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1F	REAL300018692472	0	46	0.0	-76.16	363.03	6.61	-69.55
O=C([O-])C12CCC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)OC2	REAL300018692473	0	41	0.0	-75.71	339.68	6.55	-69.16
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692475	0	53	0.0	-66.56	401.52	10.61	-55.95
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4=CC=C5OCOC5=C4)=N3)(C1)OC2	REAL300018692476	0	47	0.0	-75.06	393.01	6.53	-68.53
CC1(C)CC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CC=C2O1	REAL300018692477	0	49	0.0	-75.56	379.68	8.31	-67.25
O=C([O-])C12CCC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)OC2	REAL300018692478	0	44	0.0	-74.94	358.92	5.50	-69.44
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)(C1)OC2	REAL300018692479	0	41	0.0	-72.54	358.74	6.89	-65.65
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692480	0	48	0.0	-71.81	379.88	7.56	-64.25
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC(C(F)(F)F)=C1	REAL300018692481	0	45	0.0	-77.73	370.28	7.38	-70.35
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Br)C=C3Cl)(C1)OC2	REAL300018692482	0	38	0.0	-70.26	336.25	8.12	-62.14
CC(CSC(C)(C)C)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692483	0	47	0.0	-63.63	357.98	7.82	-55.81
CN(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)N1C	REAL300018692484	0	46	0.0	-75.22	354.56	6.46	-68.76
O=C([O-])C12CCC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)(C1)OC2	REAL300018692485	0	45	0.0	-77.30	361.04	7.38	-69.92
CC(C)COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692486	0	51	0.0	-73.50	395.21	8.79	-64.71
COCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692487	0	49	0.0	-75.79	387.24	6.56	-69.23
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692488	0	47	0.0	-64.31	379.91	10.33	-53.98
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)(C1)OC2	REAL300018692489	0	42	0.0	-78.66	357.54	7.19	-71.47
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C4=CC=CC([N+](=O)[O-])=C4)=N3)(C1)OC2	REAL300018692490	0	46	0.0	-79.44	395.30	8.52	-70.92
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692491	0	49	0.0	-68.33	369.44	8.09	-60.24
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)OC2	REAL300018692492	0	45	0.0	-71.49	347.77	8.98	-62.51
CC1=CC=CC=C1CC(C)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692493	0	47	0.0	-64.36	352.97	8.83	-55.53
CC1=CC=CC(CC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692494	0	47	0.0	-67.23	358.46	9.05	-58.18
COC1=CC2=C(C=C1C[NH2+]CC13CCC(C(=O)[O-])(CO1)C3)OCO2	REAL300018692495	0	45	0.0	-72.43	356.41	5.08	-67.35
COC1=CC(Cl)=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OC	REAL300018692496	0	46	0.0	-72.22	372.66	6.74	-65.48
CC(C)COC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692497	0	51	0.0	-70.45	395.08	8.79	-61.66
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OCCN4CCOCC4)C=C3)(C1)OC2	REAL300018692498	0	58	0.0	-75.30	442.28	5.93	-69.37
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)OC2	REAL300018692499	0	44	0.0	-78.73	348.78	9.24	-69.49
C=CCOC1=C(Cl)C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OC	REAL300018692500	0	50	0.0	-81.55	415.51	8.46	-73.09
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1CN1C=CC=N1	REAL300018692501	0	52	0.0	-79.25	414.35	8.05	-71.20
CC(C)COC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692502	0	51	0.0	-65.52	393.79	8.84	-56.68
CC1(C)CC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=C2O1	REAL300018692503	0	49	0.0	-64.90	379.42	8.28	-56.62
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)(C1)OC2	REAL300018692504	0	37	0.0	-66.86	325.71	6.11	-60.75
O=C([O-])C12CCC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)OC2	REAL300018692505	0	44	0.0	-68.02	350.64	6.82	-61.20
O=C([O-])C12CCC(C[NH2+]CC3=CC=NC=C3Br)(C1)OC2	REAL300018692506	0	37	0.0	-72.95	313.11	5.87	-67.08
CC(C)(C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2)N1CCOCC1	REAL300018692507	0	50	0.0	-69.58	355.47	4.06	-65.52
O=C([O-])C12CCC(C[NH2+]CC3=CC(F)=CC(Br)=C3)(C1)OC2	REAL300018692508	0	38	0.0	-77.98	329.76	7.77	-70.21
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692509	0	44	0.0	-64.80	351.26	9.26	-55.54
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC=CC=C2)=N1	REAL300018692510	0	48	0.0	-75.42	381.47	8.24	-67.18
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)OC2	REAL300018692511	0	45	0.0	-76.37	360.67	8.26	-68.11
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3[N+](=O)[O-])(C1)OC2	REAL300018692512	0	43	0.0	-77.03	361.08	8.66	-68.37
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)OC2	REAL300018692513	0	43	0.0	-78.19	343.12	7.55	-70.64
CC1=C(Br)SC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692514	0	38	0.0	-74.55	333.75	7.50	-67.05
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)OC2	REAL300018692515	0	41	0.0	-81.41	328.24	5.77	-75.64
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=CNN=C43)(C1)OC2	REAL300018692516	0	41	0.0	-66.80	328.53	5.75	-61.05
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(Br)=CC=C4O3)(C1)OC2	REAL300018692517	0	41	0.0	-76.03	351.29	8.21	-67.82
CS(=O)(=O)N1CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692518	0	46	0.0	-82.71	356.00	2.86	-79.85
COC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692519	0	42	0.0	-76.18	337.97	6.46	-69.72
CC(C)(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=N1	REAL300018692520	0	48	0.0	-77.37	373.74	7.02	-70.35
COC1=CC=CC=C1N1CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692521	0	54	0.0	-69.73	403.03	6.98	-62.75
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(Cl)=C1	REAL300018692522	0	41	0.0	-66.04	336.37	8.17	-57.87
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692523	0	46	0.0	-72.32	369.62	5.98	-66.34
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)(C1)OC2	REAL300018692524	0	42	0.0	-67.11	354.02	7.13	-59.98
O=C([O-])C12CCC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)(C1)OC2	REAL300018692525	0	40	0.0	-90.14	342.79	8.11	-82.03
O=C([O-])C12CCC(C[NH2+]CCC3=CC=CC(Cl)=C3)(C1)OC2	REAL300018692526	0	41	0.0	-75.44	340.50	8.35	-67.09
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(OCCCC4=CC=CC=C4)=C3)(C1)OC2	REAL300018692527	0	58	0.0	-72.12	456.38	11.90	-60.22
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=CC=C3)(C1)OC2	REAL300018692528	0	48	0.0	-67.15	360.28	9.37	-57.78
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1OC1=CC=CN=C1	REAL300018692529	0	51	0.0	-77.13	407.56	8.94	-68.19
CC(CC1=CC=C(F)C=C1Br)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692530	0	44	0.0	-63.82	354.14	9.40	-54.42
CC1=CC=C(C2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)S2)C=C1	REAL300018692531	0	47	0.0	-73.63	388.55	8.77	-64.86
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)(C1)OC2	REAL300018692532	0	43	0.0	-67.06	358.73	8.10	-58.96
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)(C1)OC2	REAL300018692533	0	43	0.0	-62.05	356.01	8.00	-54.05
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(C1)OC2	REAL300018692534	0	43	0.0	-69.83	347.65	7.63	-62.20
O=C([O-])C12CCC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(C1)OC2	REAL300018692535	0	43	0.0	-68.09	348.41	7.66	-60.43
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)(C1)OC2	REAL300018692536	0	43	0.0	-69.04	356.48	8.02	-61.02
CS(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692537	0	43	0.0	-83.45	354.47	5.66	-77.79
O=C([O-])C12CCC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)(C1)OC2	REAL300018692538	0	40	0.0	-80.72	343.18	8.18	-72.54
CC(C)CCN1C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692539	0	51	0.0	-70.54	389.45	9.46	-61.08
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)(C1)OC2	REAL300018692540	0	45	0.0	-75.34	376.99	9.12	-66.22
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)O1	REAL300018692541	0	48	0.0	-76.00	389.37	9.70	-66.30
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)O2)C=C1	REAL300018692542	0	51	0.0	-74.04	405.39	10.39	-63.65
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(OC(F)F)=C1	REAL300018692543	0	46	0.0	-74.80	369.62	5.99	-68.81
CCN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC=CC=C2)=N1	REAL300018692544	0	51	0.0	-71.26	402.94	9.07	-62.19
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4CCCCC4=C3)(C1)OC2	REAL300018692545	0	48	0.0	-71.08	364.95	9.56	-61.52
O=C([O-])C12CCC(C[NH2+]C3CCC(C4CCCCC4)CC3)(C1)OC2	REAL300018692546	0	57	0.0	-64.63	392.09	10.26	-54.37
CC1=CC=C(C(C)C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692547	0	47	0.0	-70.38	359.54	9.05	-61.33
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1C(C)(C)C	REAL300018692548	0	54	0.0	-71.95	402.79	9.05	-62.90
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692549	0	51	0.0	-70.12	382.52	8.21	-61.91
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692550	0	43	0.0	-85.55	356.43	2.03	-83.52
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)(C1)OC2	REAL300018692551	0	45	0.0	-72.00	353.37	9.07	-62.93
CCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1	REAL300018692552	0	48	0.0	-71.49	368.29	7.92	-63.57
COC1=CC(C)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692553	0	45	0.0	-65.83	351.81	7.09	-58.74
O=C([O-])C12CCC(C[NH2+]CC3CCC4=CC=CC=C4C3)(C1)OC2	REAL300018692554	0	48	0.0	-74.28	361.70	9.57	-64.71
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692555	0	40	0.0	-75.57	343.86	6.17	-69.40
O=C([O-])C12CCC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)(C1)OC2	REAL300018692556	0	48	0.0	-74.14	367.90	9.49	-64.65
COCC1=CSC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692557	0	42	0.0	-71.84	347.78	5.90	-65.94
CCCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)S1	REAL300018692558	0	44	0.0	-68.61	357.21	8.53	-60.08
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=CC=C1[N+](=O)[O-]	REAL300018692559	0	43	0.0	-82.32	342.42	8.32	-74.00
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1Br	REAL300018692560	0	41	0.0	-74.49	341.60	8.25	-66.24
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1Cl	REAL300018692561	0	42	0.0	-79.04	347.79	6.92	-72.12
COC1=CC=CC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692562	0	45	0.0	-63.99	346.41	6.98	-57.01
O=C([O-])C12CCC(C[NH2+]CC3=C4OC=CC4=CC=C3)(C1)OC2	REAL300018692563	0	41	0.0	-69.81	329.59	7.39	-62.42
O=C([O-])C12CCC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(C1)OC2	REAL300018692564	0	45	0.0	-72.39	361.01	8.19	-64.20
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)OC2	REAL300018692565	0	37	0.0	-80.06	328.19	5.48	-74.58
O=C([O-])C12CCC(C[NH2+]CC3=NN4CCCCC4=C3)(C1)OC2	REAL300018692566	0	45	0.0	-70.17	346.85	6.40	-63.77
O=C([O-])C12CCC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)(C1)OC2	REAL300018692567	0	42	0.0	-75.27	340.63	8.69	-66.58
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)(C1)OC2	REAL300018692568	0	43	0.0	-73.77	341.69	4.44	-69.33
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)(C1)OC2	REAL300018692569	0	41	0.0	-76.68	345.68	8.01	-68.67
CC1=CC=CN2C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CN=C12	REAL300018692570	0	44	0.0	-76.94	350.40	8.11	-68.83
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CN=C1Br	REAL300018692571	0	38	0.0	-78.34	322.74	5.96	-72.38
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)(C1)OC2	REAL300018692572	0	44	0.0	-81.55	361.58	6.96	-74.59
O=C([O-])C12CCC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(C1)OC2	REAL300018692573	0	38	0.0	-83.93	323.32	4.41	-79.52
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(C1)OC2	REAL300018692574	0	42	0.0	-77.34	340.51	7.08	-70.26
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(C1)OC2	REAL300018692575	0	42	0.0	-78.61	340.41	7.08	-71.53
CCOC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=N1	REAL300018692576	0	44	0.0	-71.63	351.07	4.69	-66.94
CC1=C(Cl)C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692577	0	41	0.0	-72.39	331.63	8.05	-64.34
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=NC=C4S3)(C1)OC2	REAL300018692578	0	40	0.0	-78.50	334.38	6.82	-71.68
CC1=CC=CC2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)N21	REAL300018692579	0	44	0.0	-75.20	339.53	7.90	-67.30
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692580	0	50	0.0	-74.51	386.17	7.79	-66.72
CC1=CC(Cl)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692581	0	41	0.0	-73.77	340.19	8.26	-65.51
COCC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692582	0	45	0.0	-73.54	357.32	6.80	-66.74
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)OC2	REAL300018692583	0	43	0.0	-84.36	349.67	7.50	-76.86
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC2=CC=CN=C12	REAL300018692584	0	46	0.0	-78.32	363.36	8.26	-70.06
CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1C	REAL300018692585	0	51	0.0	-72.34	395.05	8.84	-63.50
COC1=C(C)C=NC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C	REAL300018692586	0	47	0.0	-68.34	364.58	5.87	-62.47
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692587	0	48	0.0	-68.37	376.02	8.69	-59.68
O=C([O-])C12CCC(C[NH2+]C3CCCCC34CCCC4)(C1)OC2	REAL300018692588	0	51	0.0	-64.13	351.53	8.75	-55.38
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)S1	REAL300018692589	0	41	0.0	-82.33	355.21	3.76	-78.57
O=C([O-])C12CCC(C[NH2+]CC3=C4N=CC(Br)=CN4N=C3)(C1)OC2	REAL300018692590	0	40	0.0	-71.97	345.95	6.63	-65.34
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)O2)C=C1	REAL300018692591	0	57	0.0	-73.90	438.62	11.27	-62.63
CC1CC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CCN1CC1=CC=CC=C1	REAL300018692592	0	56	0.0	-69.30	410.78	8.04	-61.26
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692593	0	58	0.0	-67.76	436.49	9.85	-57.91
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692594	0	58	0.0	-67.78	444.54	10.19	-57.59
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(C1)OC2	REAL300018692595	0	41	0.0	-76.66	336.42	8.00	-68.66
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)OC2	REAL300018692596	0	40	0.0	-79.94	341.53	5.04	-74.90
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3CCC4)(C1)OC2	REAL300018692597	0	45	0.0	-69.76	346.43	8.90	-60.86
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C([N+](=O)[O-])=N1	REAL300018692598	0	40	0.0	-79.45	330.30	6.44	-73.01
O=C([O-])C12CCC(C[NH2+]CC3=NC(Cl)=CS3)(C1)OC2	REAL300018692599	0	34	0.0	-72.11	303.88	4.63	-67.48
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4C=CC(Br)=CN34)(C1)OC2	REAL300018692600	0	41	0.0	-76.71	350.24	8.12	-68.59
O=C([O-])C12CCC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(C1)OC2	REAL300018692601	0	43	0.0	-72.75	339.78	7.38	-65.37
COC1=CC=CC(Cl)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692602	0	42	0.0	-62.97	344.26	6.86	-56.11
CC1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)N1C1=CC=CC=C1	REAL300018692603	0	48	0.0	-71.06	381.29	9.34	-61.72
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692604	0	56	0.0	-75.27	437.10	11.84	-63.43
CCCN1N=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C	REAL300018692605	0	50	0.0	-73.65	387.45	7.46	-66.19
CCN(CC)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1F	REAL300018692606	0	52	0.0	-75.42	402.59	8.24	-67.18
CCOC1CC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C12CCCC2	REAL300018692607	0	52	0.0	-65.57	382.60	8.13	-57.44
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C(SC)C=C1OC	REAL300018692608	0	50	0.0	-69.26	396.47	7.20	-62.06
CN(C)C1=CC=C(N2CCC([NH2+]CC34CCC(C(=O)[O-])(CO3)C4)CC2)C=C1	REAL300018692609	0	58	0.0	-71.10	421.07	7.76	-63.34
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692610	0	49	0.0	-70.14	377.89	9.61	-60.53
CCCC(C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2)C1=CC=CC=C1	REAL300018692611	0	50	0.0	-72.88	379.30	9.79	-63.09
CC1CC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC(C2=CC=CC=C2)C1	REAL300018692612	0	54	0.0	-63.46	377.22	11.05	-52.41
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692613	0	48	0.0	-67.48	376.43	8.04	-59.44
O=C([O-])C12CCC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)(C1)OC2	REAL300018692614	0	40	0.0	-73.90	340.34	6.59	-67.31
O=C([O-])C12CCC(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)(C1)OC2	REAL300018692615	0	42	0.0	-74.45	346.55	6.77	-67.68
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC2=CC=CC=C21	REAL300018692616	0	48	0.0	-76.41	376.52	8.70	-67.71
CCOC1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692617	0	44	0.0	-76.32	348.54	5.47	-70.85
CCOC1=CC(F)=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692618	0	45	0.0	-75.89	359.82	7.38	-68.51
COC1=CC=C(C(C)C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692619	0	48	0.0	-74.51	367.75	7.66	-66.85
CN1N=C(C2CC2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692620	0	45	0.0	-78.62	354.58	6.72	-71.90
O=C([O-])C12CCC(C[NH2+]C3CCC4(CCCCC4)CC3)(C1)OC2	REAL300018692621	0	54	0.0	-67.79	369.63	8.98	-58.81
CC([NH2+]CC12CCC(C(=O)[O-])(CO1)C2)C(C)C1=CC=CC=C1	REAL300018692622	0	47	0.0	-67.66	352.64	8.72	-58.94
O=C([O-])C12CCC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)(C1)OC2	REAL300018692623	0	46	0.0	-77.23	355.37	8.17	-69.06
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692624	0	53	0.0	-69.49	399.35	7.38	-62.11
COC1=CC=CC2=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=CC=C12	REAL300018692625	0	48	0.0	-74.08	371.51	8.55	-65.53
O=C([O-])C12CCC(C[NH2+]CC3=CC=NN3CC3CC3)(C1)OC2	REAL300018692626	0	45	0.0	-74.39	351.78	7.12	-67.27
CC(CCC1=CC=CN=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692627	0	46	0.0	-72.42	353.91	7.40	-65.02
CC(C)C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692628	0	47	0.0	-69.84	362.34	8.99	-60.85
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)O1	REAL300018692629	0	40	0.0	-84.79	339.67	0.20	-84.59
O=C([O-])C12CCC(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)(C1)OC2	REAL300018692630	0	49	0.0	-73.71	380.56	10.11	-63.60
O=C([O-])C12CCC(C[NH2+]C3CCC4(CCOCC4)CC3)(C1)OC2	REAL300018692631	0	52	0.0	-71.73	361.14	6.61	-65.12
COC1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C	REAL300018692632	0	44	0.0	-74.92	341.37	5.17	-69.75
NC1=C(Cl)C=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692633	0	40	0.0	-71.55	327.05	5.66	-65.89
O=C([O-])C12CCC(C[NH2+]CCC3=CC=C(F)C=C3Cl)(C1)OC2	REAL300018692634	0	41	0.0	-74.64	343.78	8.32	-66.32
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CN=CC=C4O3)(C1)OC2	REAL300018692635	0	40	0.0	-78.08	324.73	5.86	-72.22
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)OC2	REAL300018692636	0	38	0.0	-76.64	332.97	7.38	-69.26
CC1=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)NC2=CC=C1	REAL300018692637	0	45	0.0	-76.63	354.89	7.68	-68.95
O=C([O-])C12CCC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)OC2	REAL300018692638	0	38	0.0	-77.27	332.74	7.21	-70.06
CCCOC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1	REAL300018692639	0	51	0.0	-72.45	389.88	8.71	-63.74
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OC1CC1	REAL300018692640	0	50	0.0	-79.38	392.04	7.93	-71.45
O=C([O-])C12CCC(C[NH2+]C3CCC4(CCCC4)CC3)(C1)OC2	REAL300018692641	0	51	0.0	-68.01	359.07	8.59	-59.42
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(C1)OC2	REAL300018692642	0	40	0.0	-80.61	331.67	6.14	-74.47
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC=CC=C4CC3)(C1)OC2	REAL300018692643	0	48	0.0	-70.78	353.04	9.01	-61.77
O=C([O-])C12CCC(C[NH2+]CC3=NC=C(Br)S3)(C1)OC2	REAL300018692644	0	34	0.0	-73.66	308.53	4.97	-68.69
O=C([O-])C12CCC(C[NH2+]C3CCCC4=CC=CC=C4C3)(C1)OC2	REAL300018692645	0	48	0.0	-68.24	349.87	9.11	-59.13
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C(F)F)=N1	REAL300018692646	0	41	0.0	-75.40	332.27	5.74	-69.66
CC([NH2+]CC12CCC(C(=O)[O-])(CO1)C2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018692647	0	50	0.0	-66.94	387.69	9.41	-57.53
CCC1(CC)CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692648	0	53	0.0	-67.14	363.68	8.30	-58.84
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3CCOC4)(C1)OC2	REAL300018692649	0	46	0.0	-72.02	348.88	7.03	-64.99
O=C([O-])C12CCC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)(C1)OC2	REAL300018692650	0	45	0.0	-73.21	352.44	8.99	-64.22
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692651	0	47	0.0	-69.65	363.58	8.73	-60.92
NS(=O)(=O)C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692652	0	43	0.0	-81.39	356.29	2.02	-79.37
CC1=CC=C2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)NC2=C1	REAL300018692653	0	45	0.0	-75.09	355.38	7.67	-67.42
O=C([O-])C12CCC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)OC2	REAL300018692654	0	37	0.0	-74.18	327.47	5.38	-68.80
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)(C1)OC2	REAL300018692655	0	42	0.0	-71.59	346.47	6.78	-64.81
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692656	0	46	0.0	-82.72	361.37	8.72	-74.00
O=C([O-])C12CCC(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)(C1)OC2	REAL300018692657	0	54	0.0	-70.09	390.19	10.34	-59.75
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CN=C4O3)(C1)OC2	REAL300018692658	0	40	0.0	-79.17	324.77	4.55	-74.62
CC1=CC(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=C2)=CC(C)=C1	REAL300018692659	0	54	0.0	-74.53	419.28	11.80	-62.73
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)(C1)OC2	REAL300018692660	0	48	0.0	-67.50	371.24	10.25	-57.25
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1N1C=NC=N1	REAL300018692661	0	47	0.0	-83.04	371.19	10.52	-72.52
CC(C)(C)C1CCCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC1	REAL300018692662	0	56	0.0	-67.11	382.63	8.98	-58.13
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(C1)OC2	REAL300018692663	0	41	0.0	-76.89	336.41	7.66	-69.23
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(C1)OC2	REAL300018692664	0	45	0.0	-78.48	366.62	7.61	-70.87
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)(C1)OC2	REAL300018692665	0	45	0.0	-78.23	366.11	5.37	-72.86
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(Br)=C1	REAL300018692666	0	42	0.0	-68.22	348.02	6.90	-61.32
COCC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692667	0	45	0.0	-72.92	357.32	6.79	-66.13
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692668	0	48	0.0	-79.17	397.19	9.41	-69.76
CN(C)CC1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CS1	REAL300018692669	0	45	0.0	-69.39	363.33	3.56	-65.83
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)(C1)OC2	REAL300018692670	0	49	0.0	-77.68	402.85	11.17	-66.51
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C(OC(F)F)C=C1C	REAL300018692671	0	48	0.0	-69.85	379.09	7.93	-61.92
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692672	0	55	0.0	-72.92	413.84	8.23	-64.69
COC1=CC(C)=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OC	REAL300018692673	0	49	0.0	-75.27	375.65	6.88	-68.39
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3C3CC3)(C1)OC2	REAL300018692674	0	45	0.0	-68.45	345.15	9.07	-59.38
O=C([O-])C12CCC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3[N+](=O)[O-])(C1)OC2	REAL300018692675	0	40	0.0	-71.90	361.19	8.97	-62.93
CC1=C(Br)C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)S1	REAL300018692676	0	38	0.0	-71.00	334.70	7.57	-63.43
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1COC1=CC=CC=C1	REAL300018692677	0	56	0.0	-73.70	440.20	9.79	-63.91
O=C([O-])C12CCC(C[NH2+]CCC3=CC=C(F)C=C3F)(C1)OC2	REAL300018692678	0	41	0.0	-75.36	335.49	7.94	-67.42
CC1=CC(C)=CC(CC[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692679	0	47	0.0	-72.70	366.58	9.17	-63.53
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)(C1)OC2	REAL300018692680	0	45	0.0	-76.89	375.47	7.44	-69.45
O=C([O-])C12CCC(C[NH2+]C3CCCCC3C3=CC=CC=C3Cl)(C1)OC2	REAL300018692681	0	51	0.0	-63.63	389.92	10.27	-53.36
COC1=CC=C(CC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1OC	REAL300018692682	0	55	0.0	-73.78	412.23	8.07	-65.71
COC1=CC=C(N2C=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=N2)C=C1	REAL300018692683	0	49	0.0	-79.20	390.58	7.58	-71.62
CC(CCC1=CSC=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692684	0	44	0.0	-68.74	349.06	8.12	-60.62
COCCC1=CC=C(OCC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692685	0	55	0.0	-68.94	423.85	7.79	-61.15
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692686	0	47	0.0	-71.68	376.54	9.65	-62.03
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692687	0	48	0.0	-79.65	392.64	9.58	-70.07
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692688	0	53	0.0	-70.19	422.36	10.43	-59.76
O=C([O-])C12CCC(C[NH2+]CC3=C(F)C=NC=C3Br)(C1)OC2	REAL300018692689	0	37	0.0	-67.89	320.75	5.84	-62.05
O=C([O-])C12CCC(C[NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)(C1)OC2	REAL300018692690	0	51	0.0	-71.15	391.35	10.48	-60.67
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=C(C(F)(F)F)C=C3)(C1)OC2	REAL300018692691	0	51	0.0	-70.34	393.30	10.76	-59.58
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(C1)OC2	REAL300018692692	0	42	0.0	-75.38	349.17	5.93	-69.45
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(C1)OC2	REAL300018692693	0	44	0.0	-79.09	358.30	5.31	-73.78
CN1N=CC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CN=C21	REAL300018692694	0	43	0.0	-83.77	346.56	6.20	-77.57
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692695	0	47	0.0	-72.23	370.95	9.30	-62.93
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692696	0	48	0.0	-61.19	391.13	9.78	-51.41
CSC1=CC(Br)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692697	0	42	0.0	-68.51	359.26	8.60	-59.91
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692698	1	58	0.0	-70.18	424.04	9.16	-61.02
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692699	0	50	0.0	-74.40	393.97	10.03	-64.37
COCC(CC1CCOCC1)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692700	0	52	0.0	-66.55	380.56	5.40	-61.15
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)(C1)OC2	REAL300018692701	0	48	0.0	-61.74	365.73	10.18	-51.56
CN1CCN(C2=NC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=N2)CC1	REAL300018692702	0	53	0.0	-79.01	405.49	5.35	-73.66
O=C([O-])C12CCC(C[NH2+]C3CC=C(C4=CC=C(Cl)C=C4)CC3)(C1)OC2	REAL300018692703	0	49	0.0	-72.86	390.88	10.56	-62.30
O=C([O-])C12CCC(C[NH2+]CC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)(C1)OC2	REAL300018692704	0	51	0.0	-75.18	401.10	8.55	-66.63
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692705	0	47	0.0	-78.65	387.48	8.41	-70.24
O=C([O-])C12CCC(C[NH2+]C3CCCC3C3=CC=CC(C(F)(F)F)=C3)(C1)OC2	REAL300018692706	0	51	0.0	-72.09	398.72	10.36	-61.73
CC1CCC2=C(C1)SC(C[NH2+]CC13CCC(C(=O)[O-])(CO1)C3)=N2	REAL300018692707	0	47	0.0	-67.88	371.44	7.43	-60.45
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3N3CCCCC3)(C1)OC2	REAL300018692708	0	53	0.0	-64.49	395.91	9.13	-55.36
O=C([O-])C12CCC(C[NH2+]C3CCC4COCCC4C3)(C1)OC2	REAL300018692709	0	49	0.0	-68.82	350.13	6.45	-62.37
CC1(C)CC2(CC([NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C2)CO1	REAL300018692710	0	49	0.0	-71.72	365.97	6.65	-65.07
O=C([O-])C12CCC(C[NH2+]C3CCOC4=CC=CC=C4C3)(C1)OC2	REAL300018692711	0	46	0.0	-69.76	343.09	7.40	-62.36
O=C([O-])C12CCC(C[NH2+]C3CCCC4=C(C=CS4)C3)(C1)OC2	REAL300018692712	0	45	0.0	-69.32	342.32	8.32	-61.00
CN1C=NC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=C21	REAL300018692713	0	44	0.0	-77.30	340.52	8.30	-69.00
COC1=CC=C(C)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692714	0	45	0.0	-70.24	346.42	6.98	-63.26
O=C([O-])C12CCC(C[NH2+]CC3=NOC(C4CCC4)=C3)(C1)OC2	REAL300018692715	0	44	0.0	-71.60	345.51	7.26	-64.34
CC1(C2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=NO2)CC1	REAL300018692716	0	44	0.0	-71.46	349.66	7.23	-64.23
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1C	REAL300018692717	0	47	0.0	-68.43	351.67	8.79	-59.64
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692718	0	50	0.0	-63.99	355.81	9.39	-54.60
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4CCCCCN34)(C1)OC2	REAL300018692719	0	48	0.0	-76.90	358.13	7.49	-69.41
COC1=CC=C2SC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CC2=C1	REAL300018692720	0	45	0.0	-73.82	369.05	7.90	-65.92
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)(C1)OC2	REAL300018692721	0	44	0.0	-80.84	357.01	8.25	-72.59
CCN1CCC2=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=CC=C21	REAL300018692722	0	50	0.0	-72.99	374.70	7.20	-65.79
CC1(C)CC2(CO1)CCC([NH2+]CC13CCC(C(=O)[O-])(CO1)C3)CC2	REAL300018692723	0	55	0.0	-69.87	389.52	7.38	-62.49
CSC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1Cl	REAL300018692724	0	42	0.0	-77.31	357.48	8.53	-68.78
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1C1CC1	REAL300018692725	0	48	0.0	-71.36	369.28	9.68	-61.68
COC1=CC=CC2=C1CCCC([NH2+]CC13CCC(C(=O)[O-])(CO1)C3)C2	REAL300018692726	0	52	0.0	-72.06	381.26	8.51	-63.55
CCOC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=N1	REAL300018692727	0	44	0.0	-78.12	351.20	4.71	-73.41
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1C1CC1	REAL300018692728	0	48	0.0	-70.21	368.55	9.69	-60.52
CC1=NN(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C(C)=C2)C=C1	REAL300018692729	0	51	0.0	-79.17	397.37	9.46	-69.71
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)(F)C(F)(F)F)C=C3)(C1)OC2	REAL300018692730	0	44	0.0	-78.71	373.46	8.94	-69.77
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692731	0	48	0.0	-77.27	392.48	9.38	-67.89
CC1=NN(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=C2)C=C1Cl	REAL300018692732	0	48	0.0	-78.88	399.03	9.35	-69.53
O=C([O-])C12CCC(C[NH2+]CC3=CN=C(C4CCOCC4)O3)(C1)OC2	REAL300018692733	0	48	0.0	-77.16	374.54	3.53	-73.63
CC1OC2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=C2C1C	REAL300018692734	0	49	0.0	-75.80	375.65	8.17	-67.63
CC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OC(F)F	REAL300018692735	0	45	0.0	-73.02	361.59	7.39	-65.63
CC(C)C1=CC=C(O)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692736	0	48	0.0	-70.26	370.01	6.38	-63.88
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)NN=C1C(F)(F)F	REAL300018692737	0	41	0.0	-83.69	339.98	5.02	-78.67
O=C([O-])C12CCC(C[NH2+]CC3=NC(C4CC4)=CS3)(C1)OC2	REAL300018692738	0	41	0.0	-70.01	337.89	6.28	-63.73
O=C([O-])C12CCC(C[NH2+]CC3=CN(CC4CC4)N=N3)(C1)OC2	REAL300018692739	0	44	0.0	-78.37	351.79	5.97	-72.40
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4CCOC4=C3)(C1)OC2	REAL300018692740	0	43	0.0	-73.65	338.11	6.91	-66.74
O=C([O-])C12CCC(C[NH2+]CC3=NC4=C(CCCC4)N3)(C1)OC2	REAL300018692741	0	45	0.0	-73.42	345.07	6.14	-67.28
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4COCCC4=C3)(C1)OC2	REAL300018692742	0	46	0.0	-72.76	355.83	7.16	-65.60
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3C3CCC3)(C1)OC2	REAL300018692743	0	48	0.0	-70.11	361.46	9.55	-60.56
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2CCOCC2)=N1	REAL300018692744	0	52	0.0	-77.70	399.90	6.22	-71.48
O=C([O-])C12CCC(C[NH2+]CC3=CN=CC(C4=CC=CN=C4)=C3)(C1)OC2	REAL300018692745	0	46	0.0	-80.34	366.54	6.91	-73.43
O=C([O-])C12CCC(C[NH2+]C3CC(COCC4=CC=CC=C4)C3)(C1)OC2	REAL300018692746	0	52	0.0	-71.20	404.08	9.03	-62.17
CSC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692747	0	42	0.0	-70.96	342.33	8.08	-62.88
CC(C)(C)N1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692748	0	47	0.0	-73.45	349.37	6.68	-66.77
O=C([O-])C12CCC(C[NH2+]C3CCC4=CC(Cl)=CC=C4C3)(C1)OC2	REAL300018692749	0	45	0.0	-74.91	356.00	9.13	-65.78
CC(C)C1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)N(C)N=C1	REAL300018692750	0	47	0.0	-77.49	364.42	6.55	-70.94
O=C([O-])C12CCC(C[NH2+]C3CC(C4=CC=CC=C4Br)C3)(C1)OC2	REAL300018692751	0	45	0.0	-70.59	362.47	9.39	-61.20
CCC([NH2+]CC12CCC(C(=O)[O-])(CO1)C2)C(C)CC1=CC=CC=C1	REAL300018692752	0	53	0.0	-67.51	384.26	9.98	-57.53
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(CC4CC4)S3)(C1)OC2	REAL300018692753	0	45	0.0	-68.88	367.32	9.32	-59.56
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC4CC4)C=C3)(C1)OC2	REAL300018692754	0	46	0.0	-75.04	362.80	8.04	-67.00
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC(F)(F)F)C=C3F)(C1)OC2	REAL300018692755	0	42	0.0	-72.97	353.81	6.88	-66.09
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(C(F)(F)C(F)(F)F)=C3)(C1)OC2	REAL300018692756	0	44	0.0	-75.11	373.32	8.95	-66.16
CC1=NC=CN1C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1	REAL300018692757	0	51	0.0	-80.44	397.31	10.08	-70.36
CC1=C(C)N(C2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=C2)C=N1	REAL300018692758	0	51	0.0	-81.56	399.86	10.68	-70.88
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4CC4)C(C4CC4)=C3)(C1)OC2	REAL300018692759	0	52	0.0	-70.81	397.07	11.10	-59.71
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)OC2=CC=C(F)C=C12	REAL300018692761	0	44	0.0	-75.98	355.94	8.27	-67.71
CC(CC1=CC=C(Cl)C=C1F)[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692762	0	44	0.0	-65.98	356.23	9.19	-56.79
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692763	0	48	0.0	-81.13	382.33	8.19	-72.94
CC(C)(C)C1=CN=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692764	0	49	0.0	-73.82	373.52	7.57	-66.25
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(Br)C=CC=C4S3)(C1)OC2	REAL300018692765	0	41	0.0	-71.53	359.94	9.18	-62.35
O=C([O-])C12CCC(C[NH2+]CC3=NN(CC(F)(F)F)C=C3)(C1)OC2	REAL300018692766	0	41	0.0	-73.84	344.40	6.14	-67.70
CN1C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=NC2=C1CCCC2	REAL300018692767	0	48	0.0	-72.28	364.98	7.74	-64.54
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C(F)(F)F)=N1	REAL300018692768	0	41	0.0	-76.83	338.83	5.86	-70.97
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CC=C4C=N3)(C1)OC2	REAL300018692769	0	43	0.0	-71.24	343.41	7.49	-63.75
COC1=NC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1C	REAL300018692770	0	44	0.0	-72.33	349.41	4.46	-67.87
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(C(F)F)=C3F)(C1)OC2	REAL300018692771	0	41	0.0	-71.15	337.96	7.94	-63.21
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3COCC4)(C1)OC2	REAL300018692772	0	46	0.0	-72.96	348.99	7.06	-65.90
CCOC1=CC=C(Cl)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692773	0	45	0.0	-67.79	368.98	7.87	-59.92
O=C([O-])C12CCC(C[NH2+]CC3=CNN=C3C3=CC=CC(F)=C3)(C1)OC2	REAL300018692774	0	45	0.0	-78.16	365.15	6.99	-71.17
O=C([O-])C12CCC(C[NH2+]CC3=CC4=C(CCCC4)O3)(C1)OC2	REAL300018692775	0	45	0.0	-70.17	346.40	7.90	-62.27
CCC(C)N1N=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692776	0	47	0.0	-75.46	363.43	6.85	-68.61
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4CCCCC4)N=C3)(C1)OC2	REAL300018692777	0	51	0.0	-73.23	386.77	8.12	-65.11
COC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=CC=C1C(C)(C)C	REAL300018692778	0	54	0.0	-66.41	395.27	8.79	-57.62
CN1C=C(Br)N=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692779	0	38	0.0	-77.69	323.48	5.92	-71.77
COC1=CC(C)=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=N1	REAL300018692780	0	44	0.0	-75.64	344.42	4.38	-71.26
O=C([O-])C12CCC(C[NH2+]CC3=NC4=CC=CC=C4S3)(C1)OC2	REAL300018692781	0	40	0.0	-70.51	333.78	6.52	-63.99
COC1=CC=CC(C2CC([NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C2)=C1	REAL300018692782	0	49	0.0	-74.02	375.16	8.17	-65.85
CC1=NOC(C2CC([NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C2)=N1	REAL300018692783	0	43	0.0	-78.26	341.01	4.60	-73.66
O=C([O-])C12CCC(C[NH2+]C3CC(C4CCOCC4)C3)(C1)OC2	REAL300018692784	0	49	0.0	-70.54	363.33	6.84	-63.70
CC1=CC(C)=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1Br	REAL300018692785	0	47	0.0	-72.16	371.71	9.21	-62.95
O=C([O-])C12CCC(C[NH2+]CC=CC3=CC=C4OCOC4=C3)(C1)OC2	REAL300018692786	0	45	0.0	-78.16	359.22	7.02	-71.14
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(CC4CCC4)C=C3)(C1)OC2	REAL300018692787	0	51	0.0	-70.61	393.37	10.59	-60.02
COC(F)(F)C(F)(F)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692788	0	48	0.0	-79.45	398.45	7.84	-71.61
COC1=CC=C(CC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1	REAL300018692789	0	51	0.0	-68.09	382.53	8.13	-59.96
CCC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=NN1CC	REAL300018692790	0	47	0.0	-70.61	356.36	6.82	-63.79
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C(F)(F)F)=CO1	REAL300018692791	0	41	0.0	-71.39	341.60	6.85	-64.54
CC(F)(F)C1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692792	0	44	0.0	-73.48	355.33	8.59	-64.89
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CSC=C4)N=C3)(C1)OC2	REAL300018692793	0	44	0.0	-77.74	365.19	7.84	-69.90
CN1C=C(C2=NNC=C2C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=N1	REAL300018692794	0	45	0.0	-72.47	362.39	4.77	-67.70
COC1=CC=C(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C)=C1	REAL300018692795	0	54	0.0	-73.08	404.04	8.93	-64.15
O=C([O-])C12CCC(C[NH2+]C3CC4CCCCCC4C3)(C1)OC2	REAL300018692796	0	51	0.0	-67.71	353.80	8.64	-59.07
CC1CCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)CC2=CC=CC=C21	REAL300018692797	0	51	0.0	-70.27	369.54	9.51	-60.76
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CSC=C4)C=C3)(C1)OC2	REAL300018692798	0	45	0.0	-74.02	367.83	9.49	-64.53
CCOC1=CC(CCC(C)[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1O	REAL300018692799	0	55	0.0	-75.66	421.34	7.21	-68.45
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=CC(Cl)=CC=C43)(C1)OC2	REAL300018692800	0	44	0.0	-74.77	359.80	9.71	-65.06
COC1=C(C)C(C)=C(OC)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C	REAL300018692801	0	55	0.0	-66.83	414.37	7.70	-59.13
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3OC3CCCCC3)(C1)OC2	REAL300018692802	0	55	0.0	-64.25	411.68	9.90	-54.35
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC4=CC=CC(Cl)=C4)C=C3)(C1)OC2	REAL300018692803	0	49	0.0	-75.63	407.55	10.42	-65.21
C=CCC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692804	0	45	0.0	-69.92	349.38	8.92	-61.00
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3COC3CCCCC3)(C1)OC2	REAL300018692805	0	58	0.0	-72.90	432.45	10.58	-62.32
COC1=CC=CC(OC2=CC=C(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)C=C2)=C1	REAL300018692806	0	53	0.0	-80.27	420.45	9.22	-71.05
COC1=CC=CC=C1OC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692807	0	53	0.0	-80.77	421.16	9.84	-70.93
COCC1=CC=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692808	0	45	0.0	-71.66	348.55	6.91	-64.75
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC=C3CC3=CC=C(Cl)C=C3)(C1)OC2	REAL300018692809	0	51	0.0	-77.89	411.34	11.78	-66.11
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(SC(F)(F)F)=C3)(C1)OC2	REAL300018692810	0	42	0.0	-75.78	358.52	8.52	-67.26
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4CCOCC4=C3)(C1)OC2	REAL300018692811	0	46	0.0	-72.84	355.83	7.16	-65.68
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)SC2=CC(F)=CC=C12	REAL300018692812	0	44	0.0	-73.97	362.60	9.22	-64.75
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=NC=C4)=NN3)(C1)OC2	REAL300018692813	0	44	0.0	-82.56	356.74	5.24	-77.32
COC1=CC=C(F)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1OC	REAL300018692814	0	46	0.0	-65.26	366.47	6.35	-58.91
CCN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2CC2)=N1	REAL300018692815	0	48	0.0	-73.66	378.50	7.91	-65.75
COC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1OCCO	REAL300018692816	0	50	0.0	-80.66	394.23	4.10	-76.56
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2=CC=NN2C)=N1	REAL300018692817	0	48	0.0	-73.55	387.64	5.96	-67.59
CC(C)(C)C1=NOC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692818	0	46	0.0	-80.57	349.85	6.81	-73.76
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CN=CC=C4C=C3)(C1)OC2	REAL300018692819	0	43	0.0	-78.55	343.12	7.55	-71.00
COC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CC=C1OCC1CCCO1	REAL300018692820	0	57	0.0	-80.98	439.94	7.69	-73.29
CC1=CC2=CC=CC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=C2O1	REAL300018692821	0	44	0.0	-69.18	351.49	8.21	-60.97
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(F)=C3C(F)(F)F)(C1)OC2	REAL300018692822	0	41	0.0	-75.89	335.90	8.16	-67.73
O=C([O-])C12CCC(C[NH2+]CC3=C(F)C=CC=C3OCC(F)(F)F)(C1)OC2	REAL300018692823	0	45	0.0	-66.68	376.95	7.86	-58.82
O=C([O-])C12CCC(C[NH2+]CC3=CON=C3C3CCC3)(C1)OC2	REAL300018692824	0	44	0.0	-78.78	346.75	7.17	-71.61
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3F)(C1)OC2	REAL300018692825	0	41	0.0	-75.01	346.55	8.10	-66.91
CC(C)OC1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1F	REAL300018692826	0	48	0.0	-78.65	377.78	7.99	-70.66
CC1=NN(C2CCCC2)C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1	REAL300018692827	0	51	0.0	-77.60	390.35	8.15	-69.45
O=C([O-])C12CCC(C[NH2+]CC3=CC=NN3CC(F)F)(C1)OC2	REAL300018692828	0	41	0.0	-81.74	333.02	5.87	-75.87
O=C([O-])C12CCC(C[NH2+]CC3=CN(C4=CC=CC(F)=C4)N=C3)(C1)OC2	REAL300018692830	0	45	0.0	-77.93	367.50	8.35	-69.58
O=C([O-])C12CCC(C[NH2+]CC3=NN(C4CCC4)C=C3)(C1)OC2	REAL300018692831	0	45	0.0	-69.14	348.23	6.65	-62.49
O=C([O-])C12CCC(C[NH2+]CC3=NN(CC(F)F)C=C3)(C1)OC2	REAL300018692832	0	41	0.0	-73.09	338.37	5.97	-67.12
O=C([O-])C12CCC(C[NH2+]CC3=NN(C4CC4(F)F)C=C3)(C1)OC2	REAL300018692833	0	42	0.0	-74.42	348.03	6.51	-67.91
O=C([O-])C12CCC(C[NH2+]CC3=CC(Br)=CC4=CC=CN=C43)(C1)OC2	REAL300018692834	0	43	0.0	-66.79	363.28	8.19	-58.60
O=C([O-])C12CCC(C[NH2+]CC3=NN(C4CCCC4)C=C3)(C1)OC2	REAL300018692835	0	48	0.0	-68.53	367.90	7.43	-61.10
O=C([O-])C12CCC(C[NH2+]CC3=C4OC=CC4=C(F)C=C3)(C1)OC2	REAL300018692836	0	41	0.0	-75.38	336.02	7.46	-67.92
O=C([O-])C12CCC(C[NH2+]CC3=C4OC=CC4=CC(Cl)=C3)(C1)OC2	REAL300018692837	0	41	0.0	-70.62	346.19	7.90	-62.72
COC1=CC=CC(CN2CCC([NH2+]CC34CCC(C(=O)[O-])(CO3)C4)CC2)=C1	REAL300018692838	0	57	0.0	-70.04	423.04	6.74	-63.30
COC1=CC=C2SC(C[NH2+]CC34CCC(C(=O)[O-])(CO3)C4)=NC2=C1	REAL300018692839	0	44	0.0	-72.65	363.31	5.80	-66.85
O=C([O-])C12CCC(C[NH2+]CC3=CN=C4C=C(Br)C=CN34)(C1)OC2	REAL300018692840	0	41	0.0	-80.09	350.28	8.13	-71.96
CC1=CC(Br)=CC(C)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692841	0	44	0.0	-73.86	356.71	8.73	-65.13
CN1N=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1C1=CC=CO1	REAL300018692842	0	45	0.0	-73.33	363.74	6.39	-66.94
O=C([O-])C12CCC(C[NH2+]CC3=C(Cl)C=CC4=C3OCO4)(C1)OC2	REAL300018692843	0	41	0.0	-65.95	342.33	6.13	-59.82
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4CCCCC4)C=C3)(C1)OC2	REAL300018692844	0	54	0.0	-70.71	404.11	10.88	-59.83
CC1=NN(C2CCC2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692845	0	48	0.0	-74.72	369.79	7.46	-67.26
COC1=CC=CC=C1C=CC[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692846	0	46	0.0	-71.04	361.53	7.72	-63.32
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=CC=N4)N=C3)(C1)OC2	REAL300018692847	0	46	0.0	-80.04	371.44	7.41	-72.63
CN1N=C(C2=CC=CO2)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692848	0	45	0.0	-81.86	365.56	6.32	-75.54
CC(C)(C)N1CCCC([NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C1	REAL300018692849	0	52	0.0	-66.69	365.06	5.59	-61.10
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(CC4=CC=CC=C4)C=C3)(C1)OC2	REAL300018692850	0	51	0.0	-71.04	404.91	11.53	-59.51
O=C([O-])C12CCC(C[NH2+]C3CC(C4=CC=C(OC(F)(F)F)C=C4)C3)(C1)OC2	REAL300018692851	0	49	0.0	-74.73	390.70	8.68	-66.05
O=C([O-])C12CCC(C[NH2+]CC3=CC(C4=CC=CC=C4)=CC=N3)(C1)OC2	REAL300018692852	0	47	0.0	-71.68	371.71	8.67	-63.01
CC(C)(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692853	0	59	0.0	-69.34	432.23	9.25	-60.09
CC1=CC=C(C2CCC([NH2+]CC34CCC(C(=O)[O-])(CO3)C4)CC2)C=C1	REAL300018692854	0	54	0.0	-70.10	399.66	10.55	-59.55
COC1=CC(C)=CC(OC)=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692855	0	49	0.0	-62.02	379.97	6.44	-55.58
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(OC(F)(F)F)C(Cl)=C3)(C1)OC2	REAL300018692856	0	42	0.0	-79.94	364.28	7.41	-72.53
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC(C4CC(F)(F)C4(F)F)=C3)(C1)OC2	REAL300018692857	0	48	0.0	-76.59	390.70	9.89	-66.70
O=C([O-])C12CCC(C[NH2+]CC3=CC=C4SC=CC4=C3)(C1)OC2	REAL300018692858	0	41	0.0	-75.28	339.04	8.44	-66.84
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(C4=CC=NC=C4)C=C3)(C1)OC2	REAL300018692859	0	47	0.0	-77.69	371.67	8.73	-68.96
CC1=CC=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C(F)(F)F	REAL300018692860	0	44	0.0	-63.22	344.61	8.54	-54.68
O=C([O-])C12CCC(C[NH2+]CC3=CC4=NNC=C4C=C3)(C1)OC2	REAL300018692861	0	41	0.0	-75.00	328.37	5.78	-69.22
CCC(C)C1=CC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=C1	REAL300018692862	0	50	0.0	-69.55	380.79	9.66	-59.89
O=C([O-])C12CCC(C[NH2+]C3CCC4(C3)CCOCC4)(C1)OC2	REAL300018692863	0	49	0.0	-71.38	352.33	6.36	-65.02
CN1C(CC2=CC=CC=C2)=CN=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692864	0	51	0.0	-72.78	403.67	9.68	-63.10
O=C([O-])C12CCC(C[NH2+]CC3=CC=CC4=C3CCCC4)(C1)OC2	REAL300018692865	0	48	0.0	-70.78	357.39	9.45	-61.33
CC(=CC1=CC(F)=CC(F)=C1)C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692866	0	45	0.0	-76.27	362.61	8.97	-67.30
COC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=CC(Br)=C1F	REAL300018692867	0	42	0.0	-75.09	359.49	7.20	-67.89
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(N4C=CN=N4)C=C3)(C1)OC2	REAL300018692868	0	44	0.0	-84.46	354.49	6.98	-77.48
CC1=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C=CC2=CC=CC=C21	REAL300018692869	0	47	0.0	-72.33	359.57	9.75	-62.58
CC(C)C1=NN(C(C)(C)C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692870	0	56	0.0	-73.81	427.24	8.74	-65.07
O=C([O-])C12CCC(C[NH2+]CC3=CC4=CC=CC=C4C(Br)=C3)(C1)OC2	REAL300018692871	0	44	0.0	-76.92	366.66	9.85	-67.07
COC1=C2C=CNC2=CC=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692872	0	46	0.0	-67.83	363.90	6.56	-61.27
O=C([O-])C12CCC(C[NH2+]CC3=CC=C(N4CCC(O)C4)C=C3)(C1)OC2	REAL300018692873	0	51	0.0	-74.59	391.27	4.20	-70.39
CCCN1N=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=C1C	REAL300018692874	0	47	0.0	-72.84	364.96	6.97	-65.87
CC1=CC(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)=CN=C1N1C=CC=N1	REAL300018692875	0	47	0.0	-81.54	374.25	8.40	-73.14
O=C([O-])C12CCC(C[NH2+]C3CCC3CC3=CC=CC=C3)(C1)OC2	REAL300018692876	0	48	0.0	-70.21	365.89	9.96	-60.25
CCCN1N=C(C)C=C1C[NH2+]CC12CCC(C(=O)[O-])(CO1)C2	REAL300018692877	0	47	0.0	-74.76	363.27	6.92	-67.84
CN1C=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)C(C2CCC2)=N1	REAL300018692878	0	48	0.0	-75.28	373.45	7.49	-67.79
CC(C)(C)C1=NC=C(C[NH2+]CC23CCC(C(=O)[O-])(CO2)C3)O1	REAL300018692879	0	46	0.0	-74.16	361.24	4.59	-69.57
O=C([O-])C12COC(C[NH2+]CC3=CN(C4=CC=C(F)C(Cl)=C4)N=N3)(C1)CCC2	REAL300018692880	0	47	0.0	-73.53	386.62	8.12	-65.41
CSC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692881	0	51	0.0	-61.23	382.72	9.92	-51.31
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC4=C3OCC4)(C1)CCC2	REAL300018692882	0	46	0.0	-67.03	363.37	7.99	-59.04
CC(C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)CC1=CC=CC=C1	REAL300018692883	0	50	0.0	-69.56	367.87	9.78	-59.78
COC1=CC=C(OC2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C=C2)C=C1	REAL300018692884	0	56	0.0	-76.10	428.85	9.85	-66.25
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C2CCCCC2)=N1	REAL300018692885	0	57	0.0	-72.59	417.83	9.22	-63.37
O=C([O-])C12COC(C[NH2+]CC3=CN(CC4=CC=CN=C4)N=N3)(C1)CCC2	REAL300018692886	0	49	0.0	-74.79	384.13	6.29	-68.50
CCC1CCCC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300018692887	0	53	0.0	-67.10	364.05	8.99	-58.11
CC(C)C1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018692888	0	46	0.0	-67.39	359.26	7.03	-60.36
CC1CC(C)(C)CCC1[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692889	0	53	0.0	-63.34	357.62	8.72	-54.62
O=C([O-])C12COC(C[NH2+]CC3=CC=C(OCC(F)(F)F)C(F)=C3)(C1)CCC2	REAL300018692890	0	48	0.0	-79.52	387.55	8.47	-71.05
O=C([O-])C12COC(C[NH2+]CC=CC3=CC=C(F)C=C3F)(C1)CCC2	REAL300018692891	0	45	0.0	-75.59	354.10	9.14	-66.45
O=C([O-])C12COC(C[NH2+]C3CCC4=CC=CC=C4C3)(C1)CCC2	REAL300018692892	0	48	0.0	-70.00	348.29	9.23	-60.77
CCCCCC(CCCCC)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692893	0	61	0.0	-64.75	433.95	11.36	-53.39
COC1=CC=C2CCC([NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)CC2=C1	REAL300018692894	0	52	0.0	-70.98	377.97	8.56	-62.42
O=C([O-])C12COC(C[NH2+]C(CCC3=CC=CC=C3)CC3=CC=CC=C3)(C1)CCC2	REAL300018692895	0	60	0.0	-72.00	445.82	13.45	-58.55
CCC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692896	0	47	0.0	-66.24	354.36	8.78	-57.46
CCC(CC1=CC=C(C)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692897	0	53	0.0	-65.57	385.63	10.37	-55.20
CCCC(CCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692898	0	56	0.0	-67.70	407.87	11.25	-56.45
O=C([O-])C12COC(C[NH2+]CC3=C(Br)C=CS3)(C1)CCC2	REAL300018692899	0	38	0.0	-63.22	320.67	7.31	-55.91
O=C([O-])C12COC(C[NH2+]CC3=CC(Br)=CC4=C3OCC4)(C1)CCC2	REAL300018692900	0	46	0.0	-66.99	367.93	8.09	-58.90
CC(CCC1=CC=C2OCOC2=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692901	0	53	0.0	-72.51	394.17	8.52	-63.99
CC(CCC1=CC=C(O)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692902	0	51	0.0	-69.70	379.11	7.00	-62.70
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC	REAL300018692903	0	55	0.0	-72.64	404.73	8.26	-64.38
CC(CCC1=CC=C(OC(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692904	0	54	0.0	-71.51	407.34	9.43	-62.08
COC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018692905	0	54	0.0	-69.25	397.59	9.15	-60.10
CC(CCC1=CC=CO1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692906	0	47	0.0	-68.56	348.83	7.96	-60.60
CC(CC1=CC=C(F)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692907	0	47	0.0	-66.65	352.33	9.12	-57.53
CC(CCN1C=CC=N1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692908	0	47	0.0	-71.71	349.10	7.04	-64.67
CC(CC1=CC=C(Cl)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692909	0	47	0.0	-65.66	362.65	9.57	-56.09
CC(CCC1=CC=C(F)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692910	0	50	0.0	-70.73	374.49	9.92	-60.81
CC=CCOC1=CC=C(CCC(C)[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018692911	0	61	0.0	-69.18	454.05	11.52	-57.66
CC(CC1CCOCC1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692912	0	51	0.0	-67.51	358.12	6.83	-60.68
CC(CCC1CCCCC1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692913	0	56	0.0	-64.59	388.86	10.02	-54.57
CC(CCC1=CC=CC=C1F)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692914	0	50	0.0	-66.12	373.67	9.87	-56.25
O=C([O-])C12COC(C[NH2+]C3CCCC3CC3=CC=CC=C3)(C1)CCC2	REAL300018692915	0	54	0.0	-67.07	393.48	10.83	-56.24
CC1=CC=C(C2CCCC2[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018692916	0	54	0.0	-61.87	382.43	11.05	-50.82
CC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692917	0	50	0.0	-68.39	384.65	10.05	-58.34
CC(C)C1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018692918	0	53	0.0	-69.72	392.88	10.44	-59.28
O=C([O-])C12COC(C[NH2+]C3CCC(C(F)(F)F)CC3)(C1)CCC2	REAL300018692919	0	47	0.0	-71.93	346.67	8.00	-63.93
CC1CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CN(CC2=CC=CC=C2)C1	REAL300018692920	0	59	0.0	-66.89	419.44	9.19	-57.70
CC1=CN2C=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)N=C2C=C1	REAL300018692921	0	47	0.0	-71.01	359.35	8.84	-62.17
O=C([O-])C12COC(C[NH2+]CC3=CN=C(C4=CC=C(Cl)C=C4)S3)(C1)CCC2	REAL300018692922	0	47	0.0	-72.50	392.63	9.18	-63.32
O=C([O-])C12COC(C[NH2+]CC3=C(F)C=CC=C3OC(F)(F)F)(C1)CCC2	REAL300018692923	0	45	0.0	-63.07	361.11	7.61	-55.46
O=C([O-])C12COC(C[NH2+]CC3=CC=C4OC=CC4=C3)(C1)CCC2	REAL300018692924	0	44	0.0	-73.51	338.52	8.05	-65.46
CN(C)CC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018692925	0	48	0.0	-68.32	372.68	4.50	-63.82
COCC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=NO1	REAL300018692926	0	44	0.0	-68.68	341.72	4.93	-63.75
O=C([O-])C12COC(C[NH2+]CCC3=CC=C(Cl)C=C3)(C1)CCC2	REAL300018692927	0	44	0.0	-73.72	349.38	9.03	-64.69
CC(C)N1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)N=N1	REAL300018692928	0	46	0.0	-69.03	347.94	5.52	-63.51
CN(C)CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=NO1	REAL300018692929	0	48	0.0	-66.80	364.31	4.74	-62.06
CC1=CC=CC=C1N1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)N=N1	REAL300018692930	0	50	0.0	-75.65	384.44	8.43	-67.22
CN(C)C1=NC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692931	0	48	0.0	-66.50	361.41	6.70	-59.80
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C1SC	REAL300018692932	0	49	0.0	-68.49	375.28	7.12	-61.37
COCCOCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018692933	0	55	0.0	-72.65	421.21	7.67	-64.98
CN(C)C1=CC(Cl)=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692934	0	49	0.0	-62.72	395.12	8.62	-54.10
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4CCCC4)C=C3)(C1)CCC2	REAL300018692936	0	54	0.0	-68.18	394.84	10.92	-57.26
COC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692937	0	45	0.0	-66.95	345.69	7.15	-59.80
CC1(C2=CC=CC=C2)CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300018692938	0	51	0.0	-68.33	370.62	9.79	-58.54
O=C([O-])C12COC(C[NH2+]CC3=CN(CC(F)F)N=C3)(C1)CCC2	REAL300018692939	0	44	0.0	-73.47	348.48	6.69	-66.78
CN1N=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692940	0	51	0.0	-64.17	383.35	8.50	-55.67
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4CCC4)C=C3)(C1)CCC2	REAL300018692941	0	51	0.0	-68.33	376.43	10.30	-58.03
O=C([O-])C12COC(C[NH2+]CC3=C(Cl)C=CC=C3N3CCOCC3)(C1)CCC2	REAL300018692942	0	54	0.0	-61.04	411.39	7.67	-53.37
CC1CN(C2=CC=CC=C2C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CCO1	REAL300018692943	0	57	0.0	-67.16	418.09	8.04	-59.12
CS(=O)(=O)CC1CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018692944	0	53	0.0	-75.38	388.45	5.37	-70.01
COCC1CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018692945	0	51	0.0	-66.92	363.34	6.81	-60.11
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)N2C(C3CC3)=CSC2=N1	REAL300018692946	0	51	0.0	-71.26	393.85	9.76	-61.50
O=C([O-])C12COC(C[NH2+]CC3=CC=C4CCCC4=N3)(C1)CCC2	REAL300018692947	0	47	0.0	-65.13	351.60	7.77	-57.36
CC1=CC=CC=C1C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692948	0	54	0.0	-65.54	399.24	11.48	-54.06
O=C([O-])C12COC(C[NH2+]CC3=CC=NN3C3CCCC3)(C1)CCC2	REAL300018692949	0	51	0.0	-74.05	377.16	8.17	-65.88
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4CC4)C=C3)(C1)CCC2	REAL300018692950	0	48	0.0	-68.89	359.89	9.82	-59.07
O=C([O-])C12COC(C[NH2+]C3CCN(C4CC4)CC3)(C1)CCC2	REAL300018692951	0	50	0.0	-66.04	351.26	5.95	-60.09
CC1=NN(C2=CC=CC(F)=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692952	0	51	0.0	-74.73	395.88	9.55	-65.18
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC=C1C(F)(F)F	REAL300018692953	0	47	0.0	-75.17	365.55	9.23	-65.94
O=C([O-])C12COC(C[NH2+]CC3=CN=NN3C3=CC=CC=C3)(C1)CCC2	REAL300018692954	0	47	0.0	-77.00	361.32	7.31	-69.69
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1O	REAL300018692955	0	48	0.0	-65.86	362.28	6.39	-59.47
O=C([O-])C12COC(C[NH2+]CC3=CC=C(OC4=CC=C(F)C=C4)N=C3)(C1)CCC2	REAL300018692956	0	51	0.0	-76.01	404.25	8.13	-67.88
CCCCOC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692957	0	54	0.0	-64.25	404.12	9.59	-54.66
O=C([O-])C12COC(C[NH2+]CC3=CC=C4OCCOC4=C3)(C1)CCC2	REAL300018692958	0	47	0.0	-72.36	355.63	6.88	-65.48
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(Br)=C3)(C1)CCC2	REAL300018692959	0	41	0.0	-72.24	331.62	8.33	-63.91
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC	REAL300018692960	0	49	0.0	-75.01	369.14	6.90	-68.11
O=C([O-])C12COC(C[NH2+]CC3=CC=CC=C3C(F)(F)F)(C1)CCC2	REAL300018692961	0	44	0.0	-68.48	339.66	8.80	-59.68
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC	REAL300018692962	0	52	0.0	-74.80	391.00	7.82	-66.98
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018692963	0	47	0.0	-68.34	353.55	9.15	-59.19
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4=CC=C(F)C=C4)O3)(C1)CCC2	REAL300018692964	0	48	0.0	-71.26	377.80	9.69	-61.57
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1C	REAL300018692965	0	47	0.0	-67.45	349.55	8.92	-58.53
O=C([O-])C12COC(C[NH2+]CC3=CC(Br)=CS3)(C1)CCC2	REAL300018692966	0	38	0.0	-69.24	322.84	7.45	-61.79
O=C([O-])C12COC(C[NH2+]CC3=CSC(C4=CC=C(F)C=C4)=N3)(C1)CCC2	REAL300018692967	0	47	0.0	-68.11	382.38	8.58	-59.53
CC1=NN(C)C(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692968	0	44	0.0	-69.00	349.29	6.37	-62.63
O=C([O-])C12COC(C[NH2+]CC3=CC=C(N4C=CC=N4)C=C3)(C1)CCC2	REAL300018692969	0	48	0.0	-76.63	369.02	8.92	-67.71
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018692970	0	48	0.0	-70.28	361.68	7.94	-62.34
O=C([O-])C12COC(C[NH2+]CC3=CC=CC4=C3OCO4)(C1)CCC2	REAL300018692971	0	44	0.0	-67.77	337.01	6.32	-61.45
COC1=NC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692972	0	50	0.0	-68.83	381.74	6.63	-62.20
O=C([O-])C12COC(C[NH2+]CC3=CC(C(F)(F)F)=CC=C3Cl)(C1)CCC2	REAL300018692973	0	44	0.0	-66.53	361.78	9.12	-57.41
O=C([O-])C12COC(C[NH2+]CC3=CC=C(F)C(Cl)=C3)(C1)CCC2	REAL300018692974	0	41	0.0	-76.64	332.99	8.26	-68.38
O=C([O-])C12COC(C[NH2+]CC3=CC=C(F)C(C(F)(F)F)=C3)(C1)CCC2	REAL300018692975	0	44	0.0	-78.47	355.45	8.77	-69.70
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC=C3Cl)(C1)CCC2	REAL300018692976	0	41	0.0	-67.37	340.30	8.59	-58.78
O=C([O-])C12COC(C[NH2+]CC3=CC=C(F)C=C3C(F)(F)F)(C1)CCC2	REAL300018692977	0	44	0.0	-74.39	345.93	8.79	-65.60
O=C([O-])C12COC(C[NH2+]CC3=CC(F)=CC(C(F)(F)F)=C3)(C1)CCC2	REAL300018692978	0	44	0.0	-76.98	356.27	8.79	-68.19
O=C([O-])C12COC(C[NH2+]CC3=CC(F)=CC=C3Br)(C1)CCC2	REAL300018692979	0	41	0.0	-67.47	333.56	8.24	-59.23
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC=C3F)(C1)CCC2	REAL300018692980	0	41	0.0	-69.04	333.17	8.17	-60.87
O=C([O-])C12COC(C[NH2+]CC3=CC(F)=CC(F)=C3)(C1)CCC2	REAL300018692981	0	41	0.0	-75.39	323.97	7.87	-67.52
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(C4=CC=CC=N4)=C3)(C1)CCC2	REAL300018692982	0	50	0.0	-70.90	382.79	9.62	-61.28
CC1=NN(C(C)(C)C)C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692983	0	56	0.0	-69.15	403.99	8.25	-60.90
CCC(C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)C1=CC=CC=C1	REAL300018692984	0	50	0.0	-69.54	366.69	9.68	-59.86
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(Br)=C1	REAL300018692985	0	44	0.0	-62.36	348.69	8.88	-53.48
O=C([O-])C12COC(C[NH2+]CC=CC3=CC=C(F)C=C3)(C1)CCC2	REAL300018692986	0	45	0.0	-73.89	348.60	9.10	-64.79
O=C([O-])C12COC(C[NH2+]CC3=NC=CC=C3C(F)(F)F)(C1)CCC2	REAL300018692987	0	43	0.0	-60.27	334.79	6.70	-53.57
COC1=CC=C2OC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CC2=C1	REAL300018692988	0	48	0.0	-72.60	368.48	7.55	-65.05
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C2=CC=CC=C2O1	REAL300018692989	0	47	0.0	-70.49	359.42	8.86	-61.63
O=C([O-])C12COC(C[NH2+]CC3=COC4=CC=CC=C34)(C1)CCC2	REAL300018692990	0	44	0.0	-72.22	338.80	8.01	-64.21
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1Br	REAL300018692991	0	44	0.0	-69.88	350.63	8.91	-60.97
O=C([O-])C12COC(C[NH2+]CC3=CN=C4C=NC=CN34)(C1)CCC2	REAL300018692992	0	43	0.0	-78.34	332.65	6.35	-71.99
CC1=CN2C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CN=C2C=C1	REAL300018692993	0	47	0.0	-74.05	359.22	8.77	-65.28
O=C([O-])C12COC(C[NH2+]CC3=CN=C4C=CSC4=C3)(C1)CCC2	REAL300018692994	0	43	0.0	-75.85	343.02	7.21	-68.64
CN1C2=CC(Cl)=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692995	0	47	0.0	-73.87	373.53	8.56	-65.31
CC1=CC(Cl)=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018692996	0	47	0.0	-70.38	361.04	9.30	-61.08
O=C([O-])C12COC(C[NH2+]CC3=CC=C(OC(F)F)C(F)=C3)(C1)CCC2	REAL300018692997	0	45	0.0	-77.37	355.88	7.35	-70.02
CC1=NN2C(=NC(C)=C2C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018692998	0	46	0.0	-70.76	365.34	6.85	-63.91
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(OCC4=CC=C(F)C=C4)=C3)(C1)CCC2	REAL300018692999	0	55	0.0	-72.01	428.82	11.08	-60.93
CN1C2=CC=C(Cl)C=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693000	0	47	0.0	-73.51	374.35	8.59	-64.92
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1F	REAL300018693552	0	44	0.0	-71.07	337.85	8.43	-62.64
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC=C3[N+](=O)[O-])(C1)CCC2	REAL300018693554	0	43	0.0	-71.95	347.63	8.80	-63.15
CC1(C)CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC(C)(C)C1	REAL300018693555	0	56	0.0	-65.62	380.81	9.00	-56.62
O=C([O-])C12COC(C[NH2+]C3CCC4=CC(Br)=CC=C4C3)(C1)CCC2	REAL300018693556	0	48	0.0	-72.81	369.60	9.85	-62.96
CC(CCC1=CNC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693557	0	54	0.0	-70.45	400.02	9.90	-60.55
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(Cl)=C1OC	REAL300018693558	0	49	0.0	-72.82	385.84	7.50	-65.32
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4=CC=CS4)C=C3)(C1)CCC2	REAL300018693559	0	48	0.0	-71.65	378.49	10.35	-61.30
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC=CC=C4S3)(C1)CCC2	REAL300018693560	0	44	0.0	-71.34	348.38	9.22	-62.12
CC(C)OC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693561	0	51	0.0	-70.84	379.94	8.56	-62.28
CCCCCCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693562	0	63	0.0	-70.73	469.52	11.86	-58.87
CC(C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)CC1=CC=C(C(C)(C)C)C=C1	REAL300018693563	0	62	0.0	-68.65	444.03	12.10	-56.55
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC=C1F	REAL300018693564	0	44	0.0	-73.44	337.85	8.42	-65.02
O=C([O-])C12COC(C[NH2+]CC3=C4NC=CC4=CC=C3)(C1)CCC2	REAL300018693565	0	45	0.0	-70.71	342.35	7.68	-63.03
O=C([O-])C12COC(C[NH2+]CC3=CSC([N+](=O)[O-])=C3)(C1)CCC2	REAL300018693566	0	40	0.0	-85.41	330.44	7.50	-77.91
O=C([O-])C12COC(C[NH2+]CC3=CC=CC=C3N3CCOCC3)(C1)CCC2	REAL300018693567	0	54	0.0	-67.05	395.58	7.31	-59.74
CC(C)CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693568	0	53	0.0	-67.99	391.81	10.40	-57.59
CC1=CC=C(C2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=C2)C=C1	REAL300018693569	0	54	0.0	-70.79	406.75	11.81	-58.98
CC1=CC(C)=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693570	0	47	0.0	-67.82	353.96	9.06	-58.76
COC1=CC=C(Br)C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693571	0	45	0.0	-61.90	355.78	7.51	-54.39
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1[N+](=O)[O-]	REAL300018693572	0	47	0.0	-83.61	366.66	8.45	-75.16
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3)(C1)CCC2	REAL300018693573	0	41	0.0	-73.55	344.61	8.75	-64.80
CC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693574	0	47	0.0	-66.09	344.29	8.80	-57.29
CC1=CC=CC=C1C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693575	0	54	0.0	-70.43	407.19	11.80	-58.63
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(OC(F)F)=C3)(C1)CCC2	REAL300018693576	0	45	0.0	-73.93	349.58	7.29	-66.64
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OCC	REAL300018693577	0	55	0.0	-74.70	412.85	8.74	-65.96
CC(C)C1CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693578	0	53	0.0	-62.89	358.73	9.02	-53.87
O=C([O-])C12COC(C[NH2+]CC3=CC=C(Cl)C(C(F)(F)F)=C3)(C1)CCC2	REAL300018693579	0	44	0.0	-77.41	363.02	9.15	-68.26
O=C([O-])C12COC(C[NH2+]CC3=CC=C(F)C=C3Br)(C1)CCC2	REAL300018693580	0	41	0.0	-66.89	333.68	8.28	-58.61
O=C([O-])C12COC(C[NH2+]CC3=CC=C4OC(F)(F)OC4=C3)(C1)CCC2	REAL300018693581	0	44	0.0	-79.38	350.75	6.84	-72.54
O=C([O-])C12COC(C[NH2+]CC3=CC=NC4=CC=CC=C34)(C1)CCC2	REAL300018693582	0	46	0.0	-75.88	347.58	7.99	-67.89
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(OC(F)(F)F)=C3)(C1)CCC2	REAL300018693583	0	45	0.0	-73.78	357.13	7.50	-66.28
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693584	0	47	0.0	-81.21	371.36	5.23	-75.98
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693585	0	55	0.0	-70.86	419.35	10.78	-60.08
CC(CCOCC1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693586	0	54	0.0	-66.46	402.11	9.15	-57.31
O=C([O-])C12COC(C[NH2+]C3CC(C4=CC=C(Cl)C=C4)C3)(C1)CCC2	REAL300018693587	0	48	0.0	-72.23	370.86	9.98	-62.25
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)(C1)CCC2	REAL300018693588	0	51	0.0	-71.93	402.06	11.64	-60.29
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(C4=CC=C(Cl)C=C4)=C3)(C1)CCC2	REAL300018693589	0	51	0.0	-72.60	402.07	11.63	-60.97
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C2=CC=CC=C12	REAL300018693590	0	51	0.0	-72.41	380.20	9.12	-63.29
CCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018693591	0	44	0.0	-67.75	344.58	8.36	-59.39
CN1C2=CC=CC=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693592	0	47	0.0	-77.03	357.29	7.98	-69.05
O=C([O-])C12COC(C[NH2+]CC3=CC=C4OCCC4=C3)(C1)CCC2	REAL300018693593	0	46	0.0	-72.23	347.02	7.55	-64.68
O=C([O-])C12COC(C[NH2+]CC3=CSC(Br)=C3)(C1)CCC2	REAL300018693594	0	38	0.0	-71.52	322.05	7.37	-64.15
O=C([O-])C12COC(C[NH2+]CC3=CC=CC=C3OCC3=CC=NC=C3)(C1)CCC2	REAL300018693595	0	54	0.0	-69.22	415.88	9.30	-59.92
O=C([O-])C12COC(C[NH2+]CC3=CC=CC=C3OCC3=CC=CN=C3)(C1)CCC2	REAL300018693596	0	54	0.0	-67.73	415.87	9.27	-58.46
O=C([O-])C12COC(C[NH2+]CC3=CC=C(N4CCCC4)N=C3)(C1)CCC2	REAL300018693597	0	52	0.0	-72.33	385.07	7.64	-64.69
CS(=O)(=O)NC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693598	0	49	0.0	-81.77	383.91	4.43	-77.34
O=C([O-])C12COC(C[NH2+]CC3=C4C=CNC4=CC=C3)(C1)CCC2	REAL300018693599	0	45	0.0	-66.83	342.31	7.74	-59.09
O=C([O-])C12COC(C[NH2+]CC3=CC=C4C=CNC4=C3)(C1)CCC2	REAL300018693600	0	45	0.0	-70.71	342.49	7.75	-62.96
CC(CC1=CC=CS1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693601	0	44	0.0	-65.97	336.09	8.15	-57.82
O=C([O-])C12COC(C[NH2+]CC3=CC=CC4=C3OC(F)(F)O4)(C1)CCC2	REAL300018693602	0	44	0.0	-70.39	350.56	6.77	-63.62
CC1=CC(F)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693603	0	44	0.0	-72.52	332.18	8.36	-64.16
CC1(C)CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CC=C2O1	REAL300018693604	0	55	0.0	-71.10	401.77	9.55	-61.55
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693605	0	56	0.0	-64.40	390.25	10.70	-53.70
CN(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693606	0	49	0.0	-64.02	363.63	7.71	-56.31
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O=C([O-])C12COC(C[NH2+]CC3=CN=C(C4=CC=CC=C4)S3)(C1)CCC2	REAL300018693710	0	47	0.0	-71.01	376.17	8.74	-62.27
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693711	0	54	0.0	-70.46	398.30	8.71	-61.75
CC(C)CCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693712	0	56	0.0	-64.85	388.18	10.31	-54.54
CCCCC1CCCC1[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693713	0	53	0.0	-63.48	370.58	9.80	-53.68
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C2OC(C)CC2=C1	REAL300018693714	0	53	0.0	-68.12	397.30	7.51	-60.61
CN1N=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C2=CC=CC=C21	REAL300018693715	0	47	0.0	-71.03	361.08	7.65	-63.38
O=C([O-])C12COC(C[NH2+]CC3=C4C=CC=CC4=NN3)(C1)CCC2	REAL300018693716	0	44	0.0	-80.52	337.88	6.29	-74.23
O=C([O-])C12COC(C[NH2+]CC3=NNC4=CC=CC=C43)(C1)CCC2	REAL300018693716	1	44	0.0	-71.97	338.08	6.30	-65.67
CN(C)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1F	REAL300018693717	0	49	0.0	-75.11	372.20	7.27	-67.84
O=C([O-])C12COC(C[NH2+]CC3=NC=CN3CC(F)(F)F)(C1)CCC2	REAL300018693718	0	44	0.0	-75.09	348.40	7.12	-67.97
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693720	0	56	0.0	-63.89	419.35	11.49	-52.40
CC1(C)CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CC=C2O1	REAL300018693721	0	52	0.0	-72.74	388.56	8.98	-63.76
O=C([O-])C12COC(C[NH2+]CC3=COC(C4=CC=CC=C4)=N3)(C1)CCC2	REAL300018693722	0	47	0.0	-68.76	367.79	6.14	-62.62
O=C([O-])C12COC(C[NH2+]CC3=CSC(C4=CC=CS4)=N3)(C1)CCC2	REAL300018693723	0	44	0.0	-66.46	367.62	7.56	-58.90
CC(CC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693724	0	44	0.0	-62.14	336.12	8.01	-54.13
O=C([O-])C12COC(C[NH2+]CC3CCCCCCC3)(C1)CCC2	REAL300018693725	0	53	0.0	-67.21	354.60	8.82	-58.39
CC1=CC=CC(C2=NNC=C2C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693726	0	51	0.0	-72.75	388.61	8.19	-64.56
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC(C(F)(F)F)=C1	REAL300018693727	0	48	0.0	-74.28	379.36	8.02	-66.26
O=C([O-])C12COC(C[NH2+]CC3=CC=C(Br)C=C3Cl)(C1)CCC2	REAL300018693728	0	41	0.0	-67.08	345.00	8.73	-58.35
CC(CSC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693729	0	50	0.0	-59.57	366.99	8.50	-51.07
CN(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)N1C	REAL300018693730	0	49	0.0	-74.64	369.52	6.72	-67.92
O=C([O-])C12COC(C[NH2+]CC3=NC(C4=CC=CC=C4)=CN3)(C1)CCC2	REAL300018693731	0	48	0.0	-72.05	370.07	8.04	-64.01
CC(C)COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693732	0	54	0.0	-70.56	403.63	9.43	-61.13
COCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693733	0	52	0.0	-72.92	395.65	7.21	-65.71
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693734	0	50	0.0	-61.74	388.12	11.00	-50.74
CC1(C)CCCC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300018693735	0	53	0.0	-67.80	366.08	8.93	-58.87
O=C([O-])C12COC(C[NH2+]CC3=CC=C(OC(F)F)C(Cl)=C3)(C1)CCC2	REAL300018693736	0	45	0.0	-75.64	365.68	7.82	-67.82
CC1=CC(N(C)C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693737	0	52	0.0	-67.05	377.26	8.68	-58.37
O=C([O-])C12COC(C[NH2+]CC3=CC=C4CCCC4=C3)(C1)CCC2	REAL300018693738	0	48	0.0	-68.15	356.64	9.62	-58.53
CC1=CC=CC=C1CC(C)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693739	0	50	0.0	-61.92	362.41	9.49	-52.43
CC1=CC=CC(CC(C)[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693740	0	50	0.0	-65.52	367.39	9.73	-55.79
COC1=CC2=C(C=C1C[NH2+]CC13CC(C(=O)[O-])(CO1)CCC3)OCO2	REAL300018693741	0	48	0.0	-69.86	365.15	5.69	-64.17
COC1=CC(Cl)=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC	REAL300018693742	0	49	0.0	-67.12	381.45	7.30	-59.82
COC1=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)SC=C1	REAL300018693743	0	42	0.0	-62.57	331.25	6.13	-56.44
CC(C)COC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693744	0	54	0.0	-69.23	404.09	9.44	-59.79
O=C([O-])C12COC(C[NH2+]CC3=CC=C(F)C4=CC=CC=C34)(C1)CCC2	REAL300018693745	0	47	0.0	-75.19	357.40	9.80	-65.39
C=CCOC1=C(Cl)C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC	REAL300018693746	0	53	0.0	-77.98	424.59	9.09	-68.89
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1CN1C=CC=N1	REAL300018693747	0	55	0.0	-76.42	422.49	8.69	-67.73
CC(C)COC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693748	0	54	0.0	-62.92	402.53	9.46	-53.46
CC1(C)CC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=C2O1	REAL300018693749	0	52	0.0	-63.33	388.30	8.89	-54.44
O=C([O-])C12COC(C[NH2+]CC3=C(Cl)C=NC=C3Cl)(C1)CCC2	REAL300018693750	0	40	0.0	-63.88	334.60	6.78	-57.10
O=C([O-])C12COC(C[NH2+]CC3=NC4=C(CCCC4)S3)(C1)CCC2	REAL300018693751	0	47	0.0	-66.15	358.92	7.45	-58.70
O=C([O-])C12COC(C[NH2+]CC3=CC=NC=C3Br)(C1)CCC2	REAL300018693752	0	40	0.0	-70.81	321.84	6.48	-64.33
O=C([O-])C12COC(C[NH2+]CC3=CC=NC=C3Cl)(C1)CCC2	REAL300018693753	0	40	0.0	-71.37	318.24	6.38	-64.99
CC(C)(C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)N1CCOCC1	REAL300018693754	0	53	0.0	-65.03	364.09	4.65	-60.38
O=C([O-])C12COC(C[NH2+]CC3=CC(F)=CC(Br)=C3)(C1)CCC2	REAL300018693755	0	41	0.0	-74.27	338.84	8.40	-65.87
CC(CC1=CC=C(F)C=C1Cl)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693756	0	47	0.0	-66.79	366.28	9.53	-57.26
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C2=CC=CC=C2)=N1	REAL300018693757	0	51	0.0	-69.27	390.42	8.83	-60.44
CCC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=N1	REAL300018693758	0	45	0.0	-75.67	344.10	6.32	-69.35
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(N4C=CC=N4)=C3)(C1)CCC2	REAL300018693759	0	48	0.0	-74.26	368.68	8.91	-65.35
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C(F)(F)F)C=C3[N+](=O)[O-])(C1)CCC2	REAL300018693760	0	46	0.0	-72.94	369.83	9.27	-63.67
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC=NC=C4C=C3)(C1)CCC2	REAL300018693761	0	46	0.0	-76.43	351.40	8.18	-68.25
CC1=C(Br)SC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693762	0	41	0.0	-72.20	342.49	8.11	-64.09
O=C([O-])C12COC(C[NH2+]CC3=CC=CC4=NNC=C43)(C1)CCC2	REAL300018693763	0	44	0.0	-79.75	337.11	6.37	-73.38
O=C([O-])C12COC(C[NH2+]CC3=CC=CC4=CNN=C43)(C1)CCC2	REAL300018693764	0	44	0.0	-64.09	337.27	6.36	-57.73
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC(Br)=CC=C4O3)(C1)CCC2	REAL300018693765	0	44	0.0	-74.61	359.57	8.84	-65.77
O=C([O-])C12COC(C[NH2+]CC3=CN=C4CCCN34)(C1)CCC2	REAL300018693766	0	45	0.0	-72.27	337.00	7.26	-65.01
CS(=O)(=O)N1CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693767	0	49	0.0	-79.71	364.88	3.56	-76.15
COC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693768	0	45	0.0	-72.69	347.05	7.09	-65.60
CC(CC1=CN=CC=N1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693769	0	45	0.0	-61.81	333.20	6.07	-55.74
CC(C)(C)C1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=N1	REAL300018693770	0	51	0.0	-75.14	382.77	7.69	-67.45
COC1=CC=CC=C1N1CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693771	0	57	0.0	-69.56	407.05	7.62	-61.94
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(Cl)=C1	REAL300018693772	0	44	0.0	-63.11	345.10	8.78	-54.33
COC1=CC=C(OC(F)F)C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693773	0	49	0.0	-69.13	378.24	6.54	-62.59
O=C([O-])C12COC(C[NH2+]CC3=C(Cl)C=CC=C3OC(F)F)(C1)CCC2	REAL300018693774	0	45	0.0	-64.35	363.11	7.78	-56.57
O=C([O-])C12COC(C[NH2+]CC3=CC=C([N+](=O)[O-])C(Cl)=C3)(C1)CCC2	REAL300018693775	0	43	0.0	-86.26	351.81	8.77	-77.49
O=C([O-])C12COC(C[NH2+]CCC3=CC=CC(Cl)=C3)(C1)CCC2	REAL300018693776	0	44	0.0	-72.20	349.38	9.02	-63.18
O=C([O-])C12COC(C[NH2+]C3CCCC3C3=CC=CC=C3)(C1)CCC2	REAL300018693777	0	51	0.0	-65.10	369.46	9.96	-55.14
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC=C1OC1=CC=CN=C1	REAL300018693778	0	54	0.0	-75.23	414.28	9.44	-65.79
CC1=CC=C(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)S2)C=C1	REAL300018693779	0	50	0.0	-71.43	397.30	9.33	-62.10
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC4=CC=CN=C43)(C1)CCC2	REAL300018693780	0	46	0.0	-64.39	367.47	8.71	-55.68
O=C([O-])C12COC(C[NH2+]CC3=C(Cl)C=CC4=CC=CN=C43)(C1)CCC2	REAL300018693781	0	46	0.0	-59.22	364.88	8.65	-50.57
O=C([O-])C12COC(C[NH2+]CC3=CC=C(F)C4=CC=CN=C34)(C1)CCC2	REAL300018693782	0	46	0.0	-69.44	356.53	8.30	-61.14
O=C([O-])C12COC(C[NH2+]CC3=CC(F)=CC4=CC=CN=C43)(C1)CCC2	REAL300018693783	0	46	0.0	-65.38	357.17	8.27	-57.11
O=C([O-])C12COC(C[NH2+]CC3=CC=C(Cl)C4=CC=CN=C34)(C1)CCC2	REAL300018693784	0	46	0.0	-68.76	365.37	8.68	-60.08
CS(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693785	0	46	0.0	-80.05	362.88	6.31	-73.74
O=C([O-])C12COC(C[NH2+]CC3=CC=C([N+](=O)[O-])C=C3Cl)(C1)CCC2	REAL300018693786	0	43	0.0	-80.58	352.05	8.83	-71.75
CC(C)CCN1C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693787	0	54	0.0	-66.61	397.97	10.12	-56.49
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C4=C(F)C=CC=C4F)O3)(C1)CCC2	REAL300018693788	0	48	0.0	-70.15	385.86	9.76	-60.39
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)O1	REAL300018693789	0	51	0.0	-70.76	398.32	10.35	-60.41
CCC1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)O2)C=C1	REAL300018693790	0	54	0.0	-68.94	414.26	11.06	-57.88
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(OC(F)F)=C1	REAL300018693791	0	49	0.0	-72.92	378.49	6.64	-66.28
CC(C)C1CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CCO1	REAL300018693792	0	51	0.0	-66.47	358.86	6.91	-59.56
CCN1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C2=CC=CC=C2)=N1	REAL300018693793	0	54	0.0	-72.33	411.96	9.74	-62.59
O=C([O-])C12COC(C[NH2+]CC3=CC=C4CCCCC4=C3)(C1)CCC2	REAL300018693794	0	51	0.0	-67.63	373.83	10.22	-57.41
O=C([O-])C12COC(C[NH2+]C3CCC(C4CCCCC4)CC3)(C1)CCC2	REAL300018693795	0	60	0.0	-63.46	400.36	10.90	-52.56
CC(C)CC(C)CC(C)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693796	0	55	0.0	-64.78	382.22	9.07	-55.71
CC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693797	0	50	0.0	-68.77	368.55	9.70	-59.07
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1C(C)(C)C	REAL300018693798	0	57	0.0	-69.87	411.80	9.72	-60.15
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)O1	REAL300018693799	0	45	0.0	-69.41	347.32	5.74	-63.67
CC(C)(C)OC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693800	0	54	0.0	-69.79	390.72	8.85	-60.94
CC(C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)C1CCCCC1	REAL300018693801	0	53	0.0	-67.47	366.52	9.16	-58.31
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693802	0	46	0.0	-82.01	364.90	2.67	-79.34
O=C([O-])C12COC(C[NH2+]C3CCC4=CC=CC(Cl)=C4C3)(C1)CCC2	REAL300018693803	0	48	0.0	-71.29	361.36	9.61	-61.68
CCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C)=C1	REAL300018693804	0	51	0.0	-69.54	377.31	8.58	-60.96
COC1=CC(C)=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693805	0	48	0.0	-64.63	360.68	7.74	-56.89
O=C([O-])C12COC(C[NH2+]CC3CCC4=CC=CC=C4C3)(C1)CCC2	REAL300018693806	0	51	0.0	-71.92	370.62	10.15	-61.77
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693807	0	43	0.0	-72.72	352.60	6.78	-65.94
O=C([O-])C12COC(C[NH2+]C3CCC(C4=CC=C(F)C=C4)C3)(C1)CCC2	REAL300018693808	0	51	0.0	-71.34	375.85	10.09	-61.25
COCC1=CSC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693809	0	45	0.0	-69.61	356.52	6.51	-63.10
CCCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018693810	0	47	0.0	-65.50	366.22	9.18	-56.32
CC(C)N1C=CN=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693811	0	47	0.0	-66.14	351.74	7.45	-58.69
CC1=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=CC=C1[N+](=O)[O-]	REAL300018693812	0	46	0.0	-82.68	349.58	8.77	-73.91
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC=C1Br	REAL300018693813	0	44	0.0	-72.28	350.61	8.90	-63.38
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC=C1Cl	REAL300018693814	0	45	0.0	-76.13	355.93	7.55	-68.58
COC1=CC=CC(C)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693815	0	48	0.0	-63.77	355.43	7.64	-56.13
O=C([O-])C12COC(C[NH2+]CC3=C4OC=CC4=CC=C3)(C1)CCC2	REAL300018693816	0	44	0.0	-68.77	338.48	8.05	-60.72
O=C([O-])C12COC(C[NH2+]CC3=NN(C4=CC=CC=C4)C=C3)(C1)CCC2	REAL300018693817	0	48	0.0	-68.31	369.21	8.84	-59.47
O=C([O-])C12COC(C[NH2+]CC3=CN=C(C(F)(F)F)S3)(C1)CCC2	REAL300018693818	0	40	0.0	-77.58	336.95	6.05	-71.53
CCC1=NN(C)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693819	0	47	0.0	-72.06	354.94	6.81	-65.25
O=C([O-])C12COC(C[NH2+]CC3=NN4CCCCC4=C3)(C1)CCC2	REAL300018693820	0	48	0.0	-64.94	355.73	7.05	-57.89
CCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693821	0	47	0.0	-68.23	353.21	9.15	-59.08
COC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018693822	0	41	0.0	-71.79	328.39	3.25	-68.54
O=C([O-])C12COC(C[NH2+]C3CC4=CC=C(Cl)C=C4C3)(C1)CCC2	REAL300018693823	0	45	0.0	-73.70	349.50	9.25	-64.45
O=C([O-])C12COC(C[NH2+]CC3=CC4=C(C=N3)OCCO4)(C1)CCC2	REAL300018693824	0	46	0.0	-68.67	350.58	5.10	-63.57
O=C([O-])C12COC(C[NH2+]CC3=CN=C4C=CC(Cl)=CN34)(C1)CCC2	REAL300018693825	0	44	0.0	-74.90	354.56	8.62	-66.28
CC1=CC=CN2C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CN=C12	REAL300018693826	0	47	0.0	-74.86	359.28	8.71	-66.15
CN1C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CN=C1Cl	REAL300018693827	0	41	0.0	-77.67	327.22	6.50	-71.17
CN1C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CN=C1Br	REAL300018693828	0	41	0.0	-77.63	331.51	6.52	-71.11
O=C([O-])C12COC(C[NH2+]CC3=CN(C4=CC=C(F)C=C4)N=N3)(C1)CCC2	REAL300018693829	0	47	0.0	-73.24	370.20	7.53	-65.71
O=C([O-])C12COC(C[NH2+]CC3=CC(C(F)(F)F)=NN3)(C1)CCC2	REAL300018693830	0	41	0.0	-80.83	331.94	4.98	-75.85
O=C([O-])C12COC(C[NH2+]CC3=CC4=C(F)C=CC=C4N3)(C1)CCC2	REAL300018693831	0	45	0.0	-77.14	349.38	7.69	-69.45
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC=C(F)C=C4N3)(C1)CCC2	REAL300018693832	0	45	0.0	-76.18	349.42	7.73	-68.45
CCOC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=N1	REAL300018693833	0	47	0.0	-71.57	360.02	5.27	-66.30
CC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693834	0	44	0.0	-70.99	339.74	8.69	-62.30
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC=NC=C4S3)(C1)CCC2	REAL300018693835	0	43	0.0	-76.07	343.12	7.43	-68.64
CC1=CC=CC2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)N21	REAL300018693836	0	47	0.0	-73.08	348.35	8.48	-64.60
CC(CCC1=NNC2=CC=CC=C21)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693837	0	53	0.0	-71.79	395.20	8.45	-63.34
C=CCCCCCC(C)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693838	0	53	0.0	-63.89	385.48	9.74	-54.15
CC1=CC(Cl)=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693839	0	44	0.0	-70.06	349.27	8.89	-61.17
COCC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693840	0	48	0.0	-70.94	365.73	7.44	-63.50
COCC(CC(C)(C)C)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693841	0	53	0.0	-57.95	370.30	7.25	-50.70
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC=CC(F)=C4N=C3)(C1)CCC2	REAL300018693842	0	46	0.0	-80.77	357.81	8.14	-72.63
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC2=CC=CN=C12	REAL300018693843	0	49	0.0	-75.17	372.37	8.92	-66.25
CC(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C1	REAL300018693844	0	53	0.0	-61.84	359.49	9.04	-52.80
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1C	REAL300018693845	0	54	0.0	-70.33	404.06	9.50	-60.83
COC1=C(C)C=NC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1C	REAL300018693846	0	50	0.0	-65.91	373.66	6.53	-59.38
COC1=CC2=CC=CC=C2C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693847	0	51	0.0	-66.77	384.83	9.31	-57.46
O=C([O-])C12COC(C[NH2+]C3CCCCC34CCCC4)(C1)CCC2	REAL300018693848	0	54	0.0	-61.47	360.56	9.40	-52.07
CS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018693849	0	44	0.0	-81.07	364.07	4.36	-76.71
O=C([O-])C12COC(C[NH2+]CC3=C4N=CC(Br)=CN4N=C3)(C1)CCC2	REAL300018693850	0	43	0.0	-67.51	354.90	7.21	-60.30
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)O2)C=C1	REAL300018693851	0	60	0.0	-68.74	447.49	11.92	-56.82
NC1=C(F)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693852	0	43	0.0	-71.50	326.84	5.76	-65.74
CC1CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CCN1CC1=CC=CC=C1	REAL300018693853	0	59	0.0	-67.17	412.46	8.38	-58.79
CCC(C)CN(C)C1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693854	0	61	0.0	-63.06	436.19	11.28	-51.78
CCCCCN(C)C1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693855	0	61	0.0	-66.18	453.31	10.74	-55.44
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C(F)F)C=C3)(C1)CCC2	REAL300018693856	0	44	0.0	-73.18	342.85	8.58	-64.60
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC(Cl)=CN=C4O3)(C1)CCC2	REAL300018693857	0	43	0.0	-78.83	350.08	5.68	-73.15
O=C([O-])C12COC(C[NH2+]CC3=CC=CC4=C3CCC4)(C1)CCC2	REAL300018693858	0	48	0.0	-67.22	355.34	9.55	-57.67
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C([N+](=O)[O-])=N1	REAL300018693859	0	43	0.0	-76.36	339.17	7.06	-69.30
O=C([O-])C12COC(C[NH2+]CC3=NC(Cl)=CS3)(C1)CCC2	REAL300018693860	0	37	0.0	-69.98	312.76	5.24	-64.74
COC1=NSC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693861	0	41	0.0	-74.36	328.19	3.55	-70.81
O=C([O-])C12COC(C[NH2+]CC3=CN=C4C=CC(Br)=CN34)(C1)CCC2	REAL300018693862	0	44	0.0	-74.94	359.12	8.73	-66.21
O=C([O-])C12COC(C[NH2+]CC3=NC=CC4=CC=CC=C43)(C1)CCC2	REAL300018693863	0	46	0.0	-69.62	348.86	8.00	-61.62
COC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693864	0	45	0.0	-60.62	353.35	7.51	-53.11
CC1=NC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)N1C1=CC=CC=C1	REAL300018693865	0	51	0.0	-67.26	389.91	9.91	-57.35
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693866	0	59	0.0	-72.47	445.48	12.48	-59.99
CCCN1N=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1C	REAL300018693867	0	53	0.0	-69.81	395.30	8.09	-61.72
CCN(CC)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1F	REAL300018693868	0	55	0.0	-74.45	411.60	8.90	-65.55
CCOC1CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C12CCCC2	REAL300018693869	0	55	0.0	-65.19	391.26	8.70	-56.49
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C(SC)C=C1OC	REAL300018693870	0	53	0.0	-69.29	405.18	7.76	-61.53
CN(C)C1=CC=C(N2CCC([NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)CC2)C=C1	REAL300018693871	0	61	0.0	-69.69	430.07	8.43	-61.26
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693872	0	52	0.0	-70.02	386.89	10.28	-59.74
O=C([O-])C12COC(C[NH2+]C3CCCC34CCCC4)(C1)CCC2	REAL300018693873	0	51	0.0	-63.19	348.20	9.14	-54.05
CCCC(C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)C1=CC=CC=C1	REAL300018693874	0	53	0.0	-69.92	388.19	10.46	-59.46
CC1CC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC(C2=CC=CC=C2)C1	REAL300018693875	0	57	0.0	-67.90	401.67	11.36	-56.54
O=C([O-])C12COC(C[NH2+]CC3=CN=C(C4CC4)O3)(C1)CCC2	REAL300018693876	0	44	0.0	-71.11	339.86	5.04	-66.07
CC(C)OC1=CC=C(F)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693877	0	51	0.0	-66.20	385.45	8.70	-57.50
O=C([O-])C12COC(C[NH2+]CC3=NC4=CC=C(F)C=C4S3)(C1)CCC2	REAL300018693878	0	43	0.0	-70.71	348.48	7.23	-63.48
O=C([O-])C12COC(C[NH2+]CC3=CC(F)=CC=C3OC(F)F)(C1)CCC2	REAL300018693879	0	45	0.0	-70.98	355.17	7.34	-63.64
COC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC2=CC=CC=C21	REAL300018693880	0	51	0.0	-72.84	385.61	9.33	-63.51
CCOC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693881	0	47	0.0	-72.87	357.42	6.13	-66.74
CCOC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693882	0	48	0.0	-72.46	368.90	8.02	-64.44
COC1=CC=C(C(C)C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693883	0	51	0.0	-71.52	376.64	8.33	-63.19
CN1N=C(C2CC2)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693884	0	48	0.0	-75.51	363.32	7.33	-68.18
O=C([O-])C12COC(C[NH2+]C3CCC4(CCCCC4)CC3)(C1)CCC2	REAL300018693886	0	57	0.0	-66.45	378.60	9.60	-56.85
CC([NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)C(C)C1=CC=CC=C1	REAL300018693887	0	50	0.0	-65.85	361.68	9.39	-56.46
O=C([O-])C12COC(C[NH2+]C3CC4=C(C3)C3=CC=CC=C3N4)(C1)CCC2	REAL300018693888	0	49	0.0	-74.22	363.87	8.75	-65.47
CC1CN(CC2=CC=CC=C2)CC1[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693889	0	56	0.0	-67.07	403.34	8.29	-58.78
COC1=CC=CC2=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C=CC=C12	REAL300018693890	0	51	0.0	-72.28	380.34	9.16	-63.12
O=C([O-])C12COC(C[NH2+]CC3=CC=NN3CC3CC3)(C1)CCC2	REAL300018693891	0	48	0.0	-71.05	360.51	7.72	-63.33
CC(CCC1=CC=CN=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693892	0	49	0.0	-72.05	362.94	8.06	-63.99
CC(C)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693893	0	50	0.0	-68.15	370.54	9.63	-58.52
NS(=O)(=O)C1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)O1	REAL300018693894	0	43	0.0	-78.60	348.54	0.86	-77.74
O=C([O-])C12COC(C[NH2+]C3CC=C(C4=CC=C(F)C=C4)CC3)(C1)CCC2	REAL300018693895	0	52	0.0	-71.52	389.86	10.74	-60.78
O=C([O-])C12COC(C[NH2+]C3CCC4(CCOCC4)CC3)(C1)CCC2	REAL300018693896	0	55	0.0	-68.54	370.11	7.24	-61.30
COC1=CN=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1C	REAL300018693897	0	47	0.0	-71.76	349.68	5.88	-65.88
NC1=C(Cl)C=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693898	0	43	0.0	-70.35	335.76	6.23	-64.12
O=C([O-])C12COC(C[NH2+]CCC3=CC=C(F)C=C3Cl)(C1)CCC2	REAL300018693899	0	44	0.0	-71.17	352.81	8.97	-62.20
O=C([O-])C12COC(C[NH2+]CC3=CC4=CN=CC=C4O3)(C1)CCC2	REAL300018693900	0	43	0.0	-76.81	333.01	6.50	-70.31
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C(F)(F)F)S3)(C1)CCC2	REAL300018693901	0	41	0.0	-75.41	341.86	7.98	-67.43
CC1=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)NC2=CC=C1	REAL300018693902	0	48	0.0	-73.95	363.83	8.26	-65.69
CCOC1CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693903	0	51	0.0	-65.73	361.45	7.20	-58.53
O=C([O-])C12COC(C[NH2+]CC3=CSC(C(F)(F)F)=C3)(C1)CCC2	REAL300018693904	0	41	0.0	-73.71	341.76	7.87	-65.84
CCCOC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C)=C1	REAL300018693905	0	54	0.0	-69.70	398.62	9.32	-60.38
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC1CC1	REAL300018693906	0	53	0.0	-75.87	400.91	8.59	-67.28
O=C([O-])C12COC(C[NH2+]C3CCC4(CCCC4)CC3)(C1)CCC2	REAL300018693907	0	54	0.0	-66.29	367.81	9.21	-57.08
O=C([O-])C12COC(C[NH2+]CC3=CC=C(C(F)F)N=C3)(C1)CCC2	REAL300018693908	0	43	0.0	-76.79	340.56	6.81	-69.98
O=C([O-])C12COC(C[NH2+]C3CCC4=CC=CC=C4CC3)(C1)CCC2	REAL300018693909	0	51	0.0	-67.41	362.45	9.74	-57.67
O=C([O-])C12COC(C[NH2+]CC3=NC=C(Br)S3)(C1)CCC2	REAL300018693910	0	37	0.0	-69.46	317.47	5.55	-63.91
CCC1(C)CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693911	0	53	0.0	-65.85	358.24	8.46	-57.39
O=C([O-])C12COC(C[NH2+]C3CCCC4=CC=CC=C4C3)(C1)CCC2	REAL300018693912	0	51	0.0	-67.66	362.40	9.67	-57.99
CN1C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C(F)F)=N1	REAL300018693913	0	44	0.0	-65.15	343.11	6.35	-58.80
CC([NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)C1CCCCCC1	REAL300018693914	0	53	0.0	-63.69	354.21	8.85	-54.84
CC([NH2+]CC12CC(C(=O)[O-])(CO1)CCC2)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018693915	0	53	0.0	-64.82	396.57	10.06	-54.76
CCC1(CC)CCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693916	0	56	0.0	-65.88	372.31	8.95	-56.93
O=C([O-])C12COC(C[NH2+]CC3=CC=CC4=C3CCOC4)(C1)CCC2	REAL300018693917	0	49	0.0	-69.65	357.96	7.67	-61.98
O=C([O-])C12COC(C[NH2+]CC3CC3C3=CC=C(F)C=C3)(C1)CCC2	REAL300018693918	0	48	0.0	-73.02	366.70	9.91	-63.11
CC(CC1=COC2=CC=CC=C12)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693919	0	50	0.0	-67.00	374.32	9.42	-57.58
NS(=O)(=O)C1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693920	0	46	0.0	-79.17	364.57	2.65	-76.52
CCCN1N=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693921	0	47	0.0	-71.80	350.33	7.00	-64.80
CC1=CC=C2C=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)NC2=C1	REAL300018693922	0	48	0.0	-72.62	364.39	8.32	-64.30
O=C([O-])C12COC(C[NH2+]CC3=C4CCCN4N=C3)(C1)CCC2	REAL300018693923	0	45	0.0	-70.47	337.60	6.31	-64.16
O=C([O-])C12COC(C[NH2+]CC3=NN4CCCC4=C3)(C1)CCC2	REAL300018693924	0	45	0.0	-65.95	337.68	6.23	-59.72
O=C([O-])C12COC(C[NH2+]CC3=NC=C(C(F)(F)F)S3)(C1)CCC2	REAL300018693925	0	40	0.0	-73.24	336.48	6.03	-67.21
O=C([O-])C12COC(C[NH2+]CC3=CC=CC(F)=C3OC(F)F)(C1)CCC2	REAL300018693926	0	45	0.0	-72.67	355.10	7.34	-65.33
CC1=CC=C([N+](=O)[O-])C(C)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693927	0	49	0.0	-80.86	367.80	9.27	-71.59
O=C([O-])C12COC(C[NH2+]C3CCCCC(C4=CC=CC=C4)C3)(C1)CCC2	REAL300018693928	0	57	0.0	-67.47	399.45	11.04	-56.43
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC=CN=C4O3)(C1)CCC2	REAL300018693929	0	43	0.0	-74.04	333.78	5.18	-68.86
CC1=CC(C2=CC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C=C2)=CC(C)=C1	REAL300018693930	0	57	0.0	-71.69	427.69	12.45	-59.24
O=C([O-])C12COC(C[NH2+]C3CCCC3C3=CC=C(Cl)C=C3)(C1)CCC2	REAL300018693931	0	51	0.0	-69.70	385.49	10.52	-59.18
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CC=C1N1C=NC=N1	REAL300018693932	0	50	0.0	-79.63	380.08	11.18	-68.45
CCC1CCCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693933	0	53	0.0	-65.81	358.98	8.71	-57.10
CC1(C)CCCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693934	0	53	0.0	-66.83	350.19	8.24	-58.59
CC(C)(C)C1CCCC([NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)CC1	REAL300018693935	0	59	0.0	-65.69	391.32	9.65	-56.04
O=C([O-])C12COC(C[NH2+]CC3=CC4=CC(F)=CC=C4O3)(C1)CCC2	REAL300018693936	0	44	0.0	-75.48	344.69	8.30	-67.18
O=C([O-])C12COC(C[NH2+]CC3=CC=C(OCC(F)F)C=C3)(C1)CCC2	REAL300018693937	0	48	0.0	-75.51	375.04	8.26	-67.25
O=C([O-])C12COC(C[NH2+]CC3=CC4=C(C=C3OC(F)F)OCO4)(C1)CCC2	REAL300018693938	0	48	0.0	-75.30	374.86	5.98	-69.32
COC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(Br)=C1	REAL300018693939	0	45	0.0	-63.68	356.03	7.61	-56.07
COCC1=CC=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693940	0	48	0.0	-70.42	365.39	7.44	-62.98
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693941	0	51	0.0	-75.77	406.13	10.00	-65.77
CN(C)CC1=NC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=CS1	REAL300018693942	0	48	0.0	-64.68	372.36	4.23	-60.45
O=C([O-])C12COC(C[NH2+]CC3=CC=C(SC4=CC=CC=C4)C=C3)(C1)CCC2	REAL300018693943	0	52	0.0	-74.65	411.26	11.81	-62.84
CC1=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C(OC(F)F)C=C1C	REAL300018693944	0	51	0.0	-68.93	388.13	8.59	-60.34
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693945	0	58	0.0	-67.63	411.46	8.83	-58.80
CC1=CC=C(CC[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693946	0	47	0.0	-70.08	354.06	9.19	-60.89
COC1=CC(C)=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1OC	REAL300018693947	0	52	0.0	-72.57	384.37	7.44	-65.13
O=C([O-])C12COC(C[NH2+]CC3=CC=CC=C3C3CC3)(C1)CCC2	REAL300018693948	0	48	0.0	-66.51	354.16	9.72	-56.79
O=C([O-])C12COC(C[NH2+]CC3=CC(Cl)=CC(Cl)=C3[N+](=O)[O-])(C1)CCC2	REAL300018693949	0	43	0.0	-74.37	370.16	9.62	-64.75
CC1=C(Br)C=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018693950	0	41	0.0	-69.62	343.58	8.18	-61.44
O=C([O-])C12COC(C[NH2+]CCC3=CC=C(F)C=C3F)(C1)CCC2	REAL300018693951	0	44	0.0	-75.12	344.04	8.58	-66.54
CC1=CC(C)=CC(CC[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693952	0	50	0.0	-69.99	375.45	9.83	-60.16
O=C([O-])C12COC(C[NH2+]CC3=CNN=C3C3=CC=CC(Cl)=C3)(C1)CCC2	REAL300018693953	0	48	0.0	-72.90	384.08	8.03	-64.87
O=C([O-])C12COC(C[NH2+]C3CCCCC3C3=CC=CC=C3Cl)(C1)CCC2	REAL300018693954	0	54	0.0	-61.13	398.30	10.92	-50.21
COC1=CC=C(CC(C)[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C)=C1OC	REAL300018693955	0	58	0.0	-72.20	420.96	8.75	-63.45
COC1=CC=C(N2C=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C=N2)C=C1	REAL300018693956	0	52	0.0	-76.99	399.45	8.23	-68.76
CC(CCC1=CSC=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693957	0	47	0.0	-68.31	358.09	8.78	-59.53
COCCC1=CC=C(OCC(C)[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=C1	REAL300018693958	0	58	0.0	-69.86	432.88	8.48	-61.38
CCC(CC1=CC=C(Br)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693959	0	50	0.0	-69.93	385.52	10.32	-59.61
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693960	0	51	0.0	-76.34	401.72	10.21	-66.13
O=C([O-])C12COC(C[NH2+]CC3=C(F)C=NC=C3Br)(C1)CCC2	REAL300018693961	0	40	0.0	-65.02	329.69	6.43	-58.59
O=C([O-])C12COC(C[NH2+]C3CCCC(C4=CC=C(Cl)C=C4)C3)(C1)CCC2	REAL300018693962	0	54	0.0	-68.05	397.57	11.27	-56.78
O=C([O-])C12COC(C[NH2+]C3CCCC3C3=CC=C(C(F)(F)F)C=C3)(C1)CCC2	REAL300018693963	0	54	0.0	-68.53	399.76	11.38	-57.15
O=C([O-])C12COC(C[NH2+]CC3=CNN=C3C3=CSC=C3)(C1)CCC2	REAL300018693964	0	45	0.0	-72.85	357.90	6.53	-66.32
O=C([O-])C12COC(C[NH2+]CC3=CC(C4=CC=CC=N4)=NN3)(C1)CCC2	REAL300018693965	0	47	0.0	-77.74	367.18	5.92	-71.82
CC(CC1=CN(C)N=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693966	0	47	0.0	-69.63	349.22	6.79	-62.84
CN1N=CC2=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CN=C21	REAL300018693967	0	46	0.0	-80.97	355.45	6.87	-74.10
CC(CCC1=CC=C(F)C=C1F)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693968	0	50	0.0	-71.92	379.97	9.94	-61.98
CC(C)SC1=CC=CC(Cl)=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693969	0	51	0.0	-58.82	400.23	10.42	-48.40
CN(CC1=CC=CC=C1)CC(C)(C)C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693970	1	61	0.0	-67.27	432.92	9.83	-57.44
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693971	0	53	0.0	-72.60	402.96	10.70	-61.90
COCC(CC1CCOCC1)[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693972	0	55	0.0	-66.98	389.56	6.08	-60.90
CN1C=C(CCC[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C=N1	REAL300018693973	0	47	0.0	-73.91	356.97	7.07	-66.84
O=C([O-])C12COC(C[NH2+]C3CCCC3C3=CC=CC=C3Cl)(C1)CCC2	REAL300018693974	0	51	0.0	-58.35	381.94	10.42	-47.93
CN1CCN(C2=NC=C(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C=N2)CC1	REAL300018693975	0	56	0.0	-76.69	414.51	6.02	-70.67
O=C([O-])C12COC(C[NH2+]C3CC=C(C4=CC=C(Cl)C=C4)CC3)(C1)CCC2	REAL300018693976	0	52	0.0	-70.66	400.17	11.19	-59.47
O=C([O-])C12COC(C[NH2+]CC3=C(C4CC4)N(C4=CC=CC=C4)N=N3)(C1)CCC2	REAL300018693977	0	54	0.0	-68.90	410.04	9.13	-59.77
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693978	0	50	0.0	-75.02	396.50	9.07	-65.95
O=C([O-])C12COC(C[NH2+]C3CCCC3C3=CC=CC(C(F)(F)F)=C3)(C1)CCC2	REAL300018693979	0	54	0.0	-69.30	407.83	11.02	-58.28
CC1CCC2=C(C1)SC(C[NH2+]CC13CC(C(=O)[O-])(CO1)CCC3)=N2	REAL300018693980	0	50	0.0	-67.45	380.47	8.08	-59.37
CCC1=CN=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)S1	REAL300018693981	0	43	0.0	-67.56	339.31	6.45	-61.11
O=C([O-])C12COC(C[NH2+]CC3=CC=CC=C3N3CCCCC3)(C1)CCC2	REAL300018693982	0	56	0.0	-64.08	405.05	9.74	-54.34
O=C([O-])C12COC(C[NH2+]C3CCC4COCCC4C3)(C1)CCC2	REAL300018693983	0	52	0.0	-65.80	356.33	7.26	-58.54
CC1(C)CC2(CC([NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C2)CO1	REAL300018693984	0	52	0.0	-69.33	375.17	7.27	-62.06
CC1CC2(CC([NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)C2)CO1	REAL300018693985	0	49	0.0	-68.90	353.98	6.55	-62.35
O=C([O-])C12COC(C[NH2+]C3CCOC4=CC=CC=C4C3)(C1)CCC2	REAL300018693986	0	49	0.0	-70.02	355.62	7.96	-62.06
O=C([O-])C12COC(C[NH2+]C3CCCC4=C(C=CS4)C3)(C1)CCC2	REAL300018693987	0	48	0.0	-69.36	354.85	8.90	-60.46
CN1C=NC2=CC=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=C21	REAL300018693988	0	47	0.0	-75.43	349.40	8.93	-66.50
COC1=CC=C(C)C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693989	0	48	0.0	-67.17	355.46	7.63	-59.54
O=C([O-])C12COC(C[NH2+]CC3=NOC(C4CCC4)=C3)(C1)CCC2	REAL300018693990	0	47	0.0	-66.53	356.28	7.97	-58.56
CC1(C2=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=NO2)CC1	REAL300018693991	0	47	0.0	-66.69	358.71	7.88	-58.81
CCC1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693992	0	47	0.0	-66.54	344.48	8.96	-57.58
CC1=CC(F)=CC(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)=C1	REAL300018693993	0	44	0.0	-71.07	338.95	8.46	-62.61
CC1=CC=C(C[NH2+]CC23CC(C(=O)[O-])(CO2)CCC3)C(C)=C1C	REAL300018693994	0	50	0.0	-66.10	360.69	9.44	-56.66
CC(C)(C)C1=CC=CC=C1C[NH2+]CC12CC(C(=O)[O-])(CO1)CCC2	REAL300018693995	0	53	0.0	-61.23	363.01	9.88	-51.35
O=C([O-])C12COC(C[NH2+]CC3=CN=C4CCCCCN34)(C1)CCC2	REAL300018693996	0	51	0.0	-73.65	367.20	8.12	-65.53
COC1=CC=C2SC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CC2=C1	REAL300018693997	0	48	0.0	-72.55	377.93	8.50	-64.05
O=C([O-])C12COC(C[NH2+]CC3=CON=C3C3CC3)(C1)CCC2	REAL300018693998	0	44	0.0	-75.63	339.01	7.23	-68.40
O=C([O-])C12COC(C[NH2+]CC3=CC(C4=CC=CC=C4)=NO3)(C1)CCC2	REAL300018693999	0	47	0.0	-79.85	365.96	8.84	-71.01
CCN1CCC2=CC(C[NH2+]CC34CC(C(=O)[O-])(CO3)CCC4)=CC=C21	REAL300018694000	0	53	0.0	-69.64	383.59	7.87	-61.77
CC1(C)CC([NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)CC(C)(C)C1	REAL300018695749	0	49	0.0	-32.15	355.52	7.35	-24.80
O=C([O-])C([NH2+]C1CCC2=CC(Br)=CC=C2C1)C1=CC=CC(O)=C1	REAL300018695750	0	41	0.0	-35.24	343.58	8.17	-27.07
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695751	0	47	0.0	-38.90	375.15	8.24	-30.66
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C(Cl)=C1OC	REAL300018695752	1	42	0.0	-31.20	361.02	5.85	-25.35
O=C([O-])C([NH2+]CC1=CC2=CC=CC=C2S1)C1=CC=CC(O)=C1	REAL300018695754	1	37	0.0	-35.45	321.87	7.55	-27.90
CC(C)OC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695755	0	44	0.0	-32.59	354.37	6.90	-25.69
CCCCCCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695756	0	56	0.0	-34.19	445.25	10.23	-23.96
CC(C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1)CC1=CC=C(C(C)(C)C)C=C1	REAL300018695757	0	55	0.0	-32.27	419.40	10.43	-21.84
O=C([O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C1=CC=CC(O)=C1	REAL300018695758	1	33	0.0	-37.01	306.45	5.88	-31.13
CC(C)CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695759	0	46	0.0	-32.97	367.60	8.76	-24.21
CC1=CC=C(C2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)=C2)C=C1	REAL300018695760	0	47	0.0	-34.97	380.10	10.10	-24.87
COC1=CC=C(Br)C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695761	1	38	0.0	-27.67	331.32	5.95	-21.72
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1[N+](=O)[O-]	REAL300018695762	0	40	0.0	-40.42	340.60	6.78	-33.64
O=C([O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C1=CC=CC(O)=C1	REAL300018695763	0	34	0.0	-34.36	318.56	7.06	-27.30
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695764	0	47	0.0	-33.53	382.48	10.16	-23.37
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C1=CC=CC(O)=C1	REAL300018695765	0	38	0.0	-35.30	325.66	5.66	-29.64
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1OCC	REAL300018695766	0	48	0.0	-36.50	388.86	7.12	-29.38
O=C([O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C1=CC=CC(O)=C1	REAL300018695767	0	37	0.0	-35.68	336.98	7.46	-28.22
O=C([O-])C([NH2+]CC1=CC=C(F)C=C1Br)C1=CC=CC(O)=C1	REAL300018695768	1	34	0.0	-32.23	306.46	6.63	-25.60
O=C([O-])C([NH2+]CC1=CC=C2OC(F)(F)OC2=C1)C1=CC=CC(O)=C1	REAL300018695769	0	37	0.0	-40.93	324.70	5.15	-35.78
O=C([O-])C([NH2+]CC1=CC=NC2=CC=CC=C12)C1=CC=CC(O)=C1	REAL300018695770	0	39	0.0	-34.66	320.92	6.27	-28.39
O=C([O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C1=CC=CC(O)=C1	REAL300018695771	0	38	0.0	-34.31	331.09	5.84	-28.47
CS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695772	0	40	0.0	-42.39	347.09	3.60	-38.79
COC1=CC=CC=C1C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695773	0	48	0.0	-35.95	392.69	9.08	-26.87
CC(CCOCC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695774	0	47	0.0	-35.66	373.31	7.40	-28.26
O=C([O-])C([NH2+]C1CC(C2=CC=C(Cl)C=C2)C1)C1=CC=CC(O)=C1	REAL300018695775	0	41	0.0	-34.82	342.03	8.15	-26.67
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1)C1=CC=CC(O)=C1	REAL300018695776	0	44	0.0	-35.33	375.42	9.96	-25.37
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CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695786	0	49	0.0	-32.08	361.33	8.90	-23.18
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O=C([O-])C([NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1)C1=CC=CC(O)=C1	REAL300018695790	0	43	0.0	-36.04	366.43	4.54	-31.50
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CC(C)(C)N1C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=N1	REAL300018695797	0	43	0.0	-34.69	347.85	5.87	-28.82
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O=C([O-])C([NH2+]CC1=CN=C(N2CCCC2)N=C1)C1=CC=CC(O)=C1	REAL300018695803	0	44	0.0	-37.26	354.10	5.92	-31.34
O=C([O-])C([NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1)C1=CC=CC(O)=C1	REAL300018695804	0	47	0.0	-37.12	390.62	7.54	-29.58
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1)C1=CC=CC(O)=C1	REAL300018695805	0	47	0.0	-35.26	388.52	7.61	-27.65
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COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1Cl	REAL300018695810	0	38	0.0	-34.87	331.93	5.93	-28.94
O=C([O-])C([NH2+]CC1=CC2=CC(Br)=CC=C2OC1)C1=CC=CC(O)=C1	REAL300018695811	0	40	0.0	-34.70	351.85	7.13	-27.57
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O=C([O-])C([NH2+]CC1=CC=CC2=C1OCCCO2)C1=CC=CC(O)=C1	REAL300018695820	0	43	0.0	-30.30	346.69	6.04	-24.26
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CC1=C2C=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)C=NC2=NN1	REAL300018695830	0	39	0.0	-39.60	328.16	4.57	-35.03
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CC(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695833	0	44	0.0	-33.81	355.68	6.93	-26.88
O=C([O-])C([NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1)C1=CC=CC(O)=C1	REAL300018695837	0	48	0.0	-34.33	401.39	9.52	-24.81
CC(CCC1=CC=CC(F)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695839	0	43	0.0	-35.99	345.77	8.20	-27.79
CC1=CC=CC(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695840	0	46	0.0	-33.10	360.76	8.80	-24.30
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695841	0	46	0.0	-36.64	378.09	9.12	-27.52
CC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695842	0	46	0.0	-33.00	364.67	8.86	-24.14
O=C([O-])C([NH2+]C1CCN(CC2=C(F)C=CC=C2Cl)CC1)C1=CC=CC(O)=C1	REAL300018695843	0	49	0.0	-32.65	392.34	6.83	-25.82
CC(C1=CC=CC=C1)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C1	REAL300018695844	0	49	0.0	-33.02	381.91	6.63	-26.39
O=C([O-])C(NC1CC[NH+](CC2CC2)CC1)C1=CC=CC(O)=C1	REAL300018695845	0	46	0.0	-54.01	349.28	6.29	-47.72
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695847	0	57	0.0	-35.95	442.25	10.35	-25.60
O=C([O-])C([NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1)C1=CC=CC(O)=C1	REAL300018695850	1	41	0.0	-38.49	360.66	8.92	-29.57
O=C([O-])C([NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1)C1=CC=CC(O)=C1	REAL300018695851	0	46	0.0	-34.15	368.70	6.69	-27.46
O=C([O-])C([NH2+]CC1=CC2=NC=CN=C2C=C1)C1=CC=CC(O)=C1	REAL300018695852	0	38	0.0	-40.52	321.13	4.46	-36.06
O=C([O-])C([NH2+]CC1=CN2C=C(Cl)C=CC2=N1)C1=CC=CC(O)=C1	REAL300018695853	1	37	0.0	-39.36	328.79	7.05	-32.31
CC(C)C[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(O)=C2)CC1	REAL300018695855	0	48	0.0	-57.01	362.35	6.49	-50.52
CC1=CC=C(C2=CC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)S2)C=C1	REAL300018695856	1	44	0.0	-35.83	375.65	9.53	-26.30
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695857	1	38	0.0	-30.29	348.65	6.51	-23.78
C#CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695858	0	40	0.0	-36.28	343.54	6.86	-29.42
CCC(CCC1=CC=C(Br)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695859	0	46	0.0	-33.63	367.31	9.08	-24.55
O=C([O-])C([NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1)C1=CC=CC(O)=C1	REAL300018695860	0	45	0.0	-35.35	387.73	9.08	-26.27
CCOC1=C(OC)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1OC	REAL300018695861	0	49	0.0	-36.46	398.87	6.11	-30.35
O=C([O-])C([NH2+]C1CCN(CC2=CC=NC=C2)CC1)C1=CC=CC(O)=C1	REAL300018695862	0	48	0.0	-33.64	372.53	4.85	-28.79
CC(C)(C)[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(O)=C2)CC1	REAL300018695863	0	48	0.0	-54.87	352.50	5.74	-49.13
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1SC	REAL300018695864	0	42	0.0	-36.31	355.32	6.42	-29.89
CCC(C)OC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1OC	REAL300018695865	0	51	0.0	-35.93	404.36	7.58	-28.35
C=C(C)COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1OC	REAL300018695866	0	49	0.0	-36.84	398.00	7.52	-29.32
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1OCCC(C)C	REAL300018695867	0	54	0.0	-36.26	427.56	8.30	-27.96
O=C([O-])C([NH2+]C1CCN(CCN2CCOCC2)CC1)C1=CC=CC(O)=C1	REAL300018695868	0	55	0.0	-33.55	407.07	2.15	-31.40
CCOCC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1OC	REAL300018695869	0	48	0.0	-32.67	389.99	6.29	-26.38
CCOC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1OCC(F)(F)F	REAL300018695871	0	48	0.0	-38.59	407.11	7.55	-31.04
CCCC(CC1=CC=CC=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695872	0	46	0.0	-36.20	358.67	8.73	-27.47
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695875	0	46	0.0	-34.95	380.70	9.15	-25.80
C=CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1Cl	REAL300018695876	0	42	0.0	-34.79	366.69	7.44	-27.35
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C2OC(C)CC2=C1	REAL300018695878	0	46	0.0	-33.13	371.52	5.92	-27.21
CN(C)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1F	REAL300018695880	0	42	0.0	-34.64	345.99	5.59	-29.05
CC1CCCCC1[NH+]1CCC(NC(C(=O)[O-])C2=CC=CC(O)=C2)CC1	REAL300018695882	0	55	0.0	-52.65	391.93	7.88	-44.77
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695883	0	49	0.0	-34.18	390.48	9.70	-24.48
CC1(C)CC2=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)=CC=C2O1	REAL300018695885	0	45	0.0	-35.47	363.82	7.33	-28.14
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC(C(F)(F)F)=C1	REAL300018695888	0	41	0.0	-33.94	353.32	6.34	-27.60
O=C([O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C1=CC=CC(O)=C1	REAL300018695889	1	34	0.0	-31.93	316.85	7.04	-24.89
CC(C)COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695892	0	47	0.0	-33.61	377.43	7.74	-25.87
COCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695893	0	45	0.0	-36.42	371.38	5.58	-30.84
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695894	0	43	0.0	-40.48	362.24	8.61	-31.87
O=C([O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C1=CC=CC(O)=C1	REAL300018695895	0	38	0.0	-36.74	341.69	6.20	-30.54
CC1=CC(N(C)C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695897	0	45	0.0	-32.32	353.72	7.09	-25.23
COC1=CC2=C(C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1)OCO2	REAL300018695898	1	41	0.0	-33.41	338.65	4.03	-29.38
COC1=CC(Cl)=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1OC	REAL300018695899	1	42	0.0	-35.28	355.71	5.73	-29.55
CC(C)COC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695900	0	47	0.0	-33.44	379.37	7.80	-25.64
O=C([O-])C([NH2+]CC1=CC=C(OCCN2CCOCC2)C=C1)C1=CC=CC(O)=C1	REAL300018695901	0	54	0.0	-36.10	426.43	4.93	-31.17
O=C([O-])C([NH2+]CC1=CC=C(F)C2=CC=CC=C12)C1=CC=CC(O)=C1	REAL300018695902	0	40	0.0	-33.96	332.93	8.25	-25.71
C=CCOC1=C(Cl)C=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1OC	REAL300018695903	0	46	0.0	-33.77	398.56	7.41	-26.36
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1CN1C=CC=N1	REAL300018695904	0	48	0.0	-37.40	397.32	7.03	-30.37
CC1(C)CC2=CC=CC(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)=C2O1	REAL300018695905	0	45	0.0	-33.28	362.40	7.26	-26.02
O=C([O-])C([NH2+]CC1=CC=NC=C1Br)C1=CC=CC(O)=C1	REAL300018695907	1	33	0.0	-34.45	294.88	4.82	-29.63
O=C([O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C1=CC=CC(O)=C1	REAL300018695908	0	34	0.0	-33.14	314.12	6.76	-26.38
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695909	0	40	0.0	-31.84	333.80	8.19	-23.65
O=C([O-])C([NH2+]CC1=CC=CC(N2C=CC=N2)=C1)C1=CC=CC(O)=C1	REAL300018695910	0	41	0.0	-34.25	342.84	7.21	-27.04
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2C=C1)C1=CC=CC(O)=C1	REAL300018695911	0	39	0.0	-35.87	327.41	6.55	-29.32
CC1=C(Br)SC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695912	0	34	0.0	-34.88	315.98	6.45	-28.43
CS(=O)(=O)N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)CC1	REAL300018695914	0	42	0.0	-46.98	338.12	1.81	-45.17
COC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695915	0	38	0.0	-34.74	320.40	5.39	-29.35
CC(C)(C)C1=NC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=N1	REAL300018695916	0	44	0.0	-34.01	356.72	6.00	-28.01
COC1=CC=CC=C1N1CCC([NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)CC1	REAL300018695917	0	50	0.0	-35.37	387.19	5.99	-29.38
CC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C(Cl)=C1	REAL300018695918	0	37	0.0	-31.24	319.62	7.18	-24.06
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C1=CC=CC(O)=C1	REAL300018695919	0	36	0.0	-41.03	325.75	7.09	-33.94
O=C([O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C1=CC=CC(O)=C1	REAL300018695920	0	37	0.0	-40.11	323.33	7.33	-32.78
O=C([O-])C([NH2+]CC1=CC=CC(OCCCC2=CC=CC=C2)=C1)C1=CC=CC(O)=C1	REAL300018695921	0	54	0.0	-35.11	439.37	10.88	-24.23
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1OC1=CC=CN=C1	REAL300018695922	0	47	0.0	-36.84	390.38	7.92	-28.92
CC(CC1=CC=C(F)C=C1Br)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695923	0	40	0.0	-31.41	335.76	8.30	-23.11
O=C([O-])C([NH2+]CC1=CC(Cl)=CC2=CC=CN=C21)C1=CC=CC(O)=C1	REAL300018695925	0	39	0.0	-32.06	341.57	7.08	-24.98
O=C([O-])C([NH2+]CC1=C(Cl)C=CC2=CC=CN=C21)C1=CC=CC(O)=C1	REAL300018695926	0	39	0.0	-30.83	340.13	7.01	-23.82
CS(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695927	0	39	0.0	-45.93	338.63	4.67	-41.26
O=C([O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C1=CC=CC(O)=C1	REAL300018695928	1	36	0.0	-38.42	326.43	7.18	-31.24
O=C([O-])C([NH2+]CC1=CC=C2CCCCC2=C1)C1=CC=CC(O)=C1	REAL300018695932	0	44	0.0	-30.69	347.80	8.54	-22.15
O=C([O-])C([NH2+]C1CCC(C2CCCCC2)CC1)C1=CC=CC(O)=C1	REAL300018695933	0	53	0.0	-28.95	375.63	9.25	-19.70
COC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1C(C)(C)C	REAL300018695934	0	50	0.0	-33.39	385.75	8.03	-25.36
CC(C)(C)OC1=CC=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695935	0	47	0.0	-33.54	365.49	7.18	-26.36
NS(=O)(=O)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695936	0	39	0.0	-39.67	339.33	1.00	-38.67
O=C([O-])C([NH2+]C1CCC2=CC=CC(Cl)=C2C1)C1=CC=CC(O)=C1	REAL300018695937	0	41	0.0	-34.91	336.55	7.99	-26.92
CCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C(C)=C1	REAL300018695938	0	44	0.0	-32.94	352.57	6.91	-26.03
COC1=CC(C)=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695939	0	41	0.0	-31.78	335.97	6.10	-25.68
NC1=C(Cl)C=C(Cl)C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695940	0	36	0.0	-33.36	328.07	5.17	-28.19
O=C([O-])C([NH2+]C1CCC(C2=CC=C(F)C=C2)C1)C1=CC=CC(O)=C1	REAL300018695941	0	44	0.0	-36.66	350.71	8.39	-28.27
CCCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)S1	REAL300018695943	1	40	0.0	-33.75	341.49	7.54	-26.21
CC1=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=CC=C1[N+](=O)[O-]	REAL300018695944	0	39	0.0	-39.33	318.87	7.02	-32.31
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1Br	REAL300018695945	0	37	0.0	-32.48	325.93	7.27	-25.21
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC=C1Cl	REAL300018695946	0	38	0.0	-36.45	331.93	5.93	-30.52
O=C([O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C1=CC=CC(O)=C1	REAL300018695948	1	33	0.0	-37.12	311.15	4.45	-32.67
O=C([O-])C([NH2+]C1CC2=CC=C(Cl)C=C2C1)C1=CC=CC(O)=C1	REAL300018695950	0	38	0.0	-35.84	324.69	7.64	-28.20
O=C([O-])C([NH2+]CC1=CC2=C(C=N1)OCCO2)C1=CC=CC(O)=C1	REAL300018695951	1	39	0.0	-37.42	324.53	3.40	-34.02
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Cl)=CN12)C1=CC=CC(O)=C1	REAL300018695952	0	37	0.0	-34.40	328.04	6.95	-27.45
CC1=CC=CN2C(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)=CN=C12	REAL300018695953	0	40	0.0	-34.34	332.76	7.05	-27.29
CN1C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CN=C1Br	REAL300018695954	0	34	0.0	-35.29	307.05	4.97	-30.32
O=C([O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C1=CC=CC(O)=C1	REAL300018695956	1	34	0.0	-36.18	306.16	3.38	-32.80
O=C([O-])C([NH2+]CC1=CC2=C(F)C=CC=C2N1)C1=CC=CC(O)=C1	REAL300018695957	0	38	0.0	-33.13	324.81	6.09	-27.04
O=C([O-])C([NH2+]CC1=CC2=CC=C(F)C=C2N1)C1=CC=CC(O)=C1	REAL300018695958	0	38	0.0	-36.25	322.78	6.03	-30.22
CC1=C(Cl)C=CC=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695960	0	37	0.0	-31.10	310.26	6.97	-24.13
O=C([O-])C([NH2+]CC1=CC2=CC=NC=C2S1)C1=CC=CC(O)=C1	REAL300018695961	1	36	0.0	-38.21	318.52	5.82	-32.39
CC1=CC=CC2=NC=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)N21	REAL300018695962	0	40	0.0	-36.40	324.24	6.94	-29.46
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695963	0	46	0.0	-36.03	366.04	6.71	-29.32
CC1=CC(Cl)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695964	0	37	0.0	-30.37	323.23	7.21	-23.16
COCC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695965	0	41	0.0	-32.62	340.16	5.78	-26.84
O=C([O-])C([NH2+]CC1=CC2=CC=CC(F)=C2N=C1)C1=CC=CC(O)=C1	REAL300018695966	0	39	0.0	-41.33	332.51	6.48	-34.85
CC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC2=CC=CN=C12	REAL300018695967	0	42	0.0	-38.75	347.64	7.26	-31.49
CCCOC1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1C	REAL300018695968	0	47	0.0	-34.06	379.33	7.85	-26.21
COC1=CC2=CC=CC=C2C=C1C[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695970	0	44	0.0	-31.01	360.31	7.69	-23.32
O=C([O-])C([NH2+]CC1=C2N=CC(Br)=CN2N=C1)C1=CC=CC(O)=C1	REAL300018695972	0	36	0.0	-35.08	330.33	5.62	-29.46
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)CCN1CC1=CC=CC=C1	REAL300018695974	0	52	0.0	-32.31	395.47	7.24	-25.07
CC1CC(NC(C(=O)[O-])C2=CC=CC(O)=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018695974	1	52	0.0	-59.96	389.47	7.93	-52.03
CC1CC(NC(C(=O)[O-])C2=CC=CC(O)=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018695974	1	52	0.0	-57.77	389.57	7.94	-49.83
O=C([O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C1=CC=CC(O)=C1	REAL300018695975	0	37	0.0	-35.95	320.58	7.01	-28.94
O=C([O-])C([NH2+]CC1=CN=C2C=CC(Br)=CN12)C1=CC=CC(O)=C1	REAL300018695977	0	37	0.0	-34.24	332.60	7.06	-27.18
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695979	0	52	0.0	-32.47	419.93	10.82	-21.65
CCN(CC)C1=CC=C(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1F	REAL300018695980	0	48	0.0	-35.38	385.58	7.22	-28.16
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C(SC)C=C1OC	REAL300018695981	0	46	0.0	-31.52	378.83	6.15	-25.37
CN(C)C1=CC=C(N2CCC([NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)CC2)C=C1	REAL300018695982	0	54	0.0	-34.19	404.46	6.75	-27.44
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695983	0	45	0.0	-41.61	361.49	8.52	-33.09
CC1CC([NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)CC(C2=CC=CC=C2)C1	REAL300018695984	0	50	0.0	-28.52	360.68	9.40	-19.12
COC1=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=CC2=CC=CC=C21	REAL300018695986	0	44	0.0	-34.80	358.95	7.62	-27.18
CCOC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695987	0	40	0.0	-34.13	332.69	4.48	-29.65
CCOC1=CC(F)=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1	REAL300018695988	0	41	0.0	-32.68	342.86	6.34	-26.34
COC1=CC=C(C(C)C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)C=C1	REAL300018695989	0	44	0.0	-38.47	351.90	6.66	-31.81
O=C([O-])C([NH2+]C1CCC2(CCCCC2)CC1)C1=CC=CC(O)=C1	REAL300018695991	0	50	0.0	-32.28	353.43	7.91	-24.37
O=C([O-])C([NH2+]C1CC2=C(C1)C1=CC=CC=C1N2)C1=CC=CC(O)=C1	REAL300018695992	0	42	0.0	-34.90	339.34	7.10	-27.80
COC1=CC=CC2=C(C[NH2+]C(C(=O)[O-])C3=CC=CC(O)=C3)C=CC=C12	REAL300018695993	0	44	0.0	-33.24	355.75	7.57	-25.67
CC(CCC1=CC=CN=C1)[NH2+]C(C(=O)[O-])C1=CC=CC(O)=C1	REAL300018695995	0	42	0.0	-38.98	333.44	6.32	-32.66
O=C([O-])C([NH2+]C1CC=C(C2=CC=C(F)C=C2)CC1)C1=CC=CC(O)=C1	REAL300018695997	0	45	0.0	-37.48	362.92	9.01	-28.47
O=C([O-])C([NH2+]C1CCC2(CCOCC2)CC1)C1=CC=CC(O)=C1	REAL300018695998	0	48	0.0	-36.11	343.99	5.53	-30.58
COC1=CN=CC(C[NH2+]C(C(=O)[O-])C2=CC=CC(O)=C2)=C1C	REAL300018695999	0	40	0.0	-34.41	324.90	4.24	-30.17
O=C([O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C1=CC=CC(O)=C1	REAL300018696000	0	37	0.0	-41.50	328.08	7.33	-34.17
O=C([O-])CN1C=CC2=C(NCC3=CC=C(N4CCCC4)[NH+]=C3)C=CC=C21	REAL300018699293	1	48	0.0	-67.91	385.02	9.99	-57.92
C[NH+]1CCN(C2=CC=C(CNC3=C4C=CN(CC(=O)[O-])C4=CC=C3)C=C2)CC1	REAL300018699305	0	54	0.0	-77.02	420.72	11.04	-65.98
O=C([O-])CN1C=CC2=C(NC3CC[NH+](CC4=CC=C(Cl)C=C4)CC3)C=CC=C21	REAL300018699309	0	52	0.0	-83.34	421.77	13.47	-69.87
O=C([O-])CN1C=CC2=C(NC3CC[NH+](CC4=CC=CC=C4Cl)CC3)C=CC=C21	REAL300018699310	0	52	0.0	-75.09	418.21	13.44	-61.65
O=C([O-])CN1C=CC2=C(NC3CC[NH+](CC4=CC=CC=N4)CC3)C=CC=C21	REAL300018699311	0	51	0.0	-76.81	400.64	11.12	-65.69
O=C([O-])CN1C=CC2=C(NCC3=CC=C(OCC[NH+]4CCCC4)C=C3)C=CC=C21	REAL300018699316	0	56	0.0	-73.99	442.12	12.73	-61.26
C[NH+](C)CCOC1=CC=C(CNC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C=C1	REAL300018699324	0	52	0.0	-74.39	416.84	11.63	-62.76
CC(C1=CC=CC=C1)[N@@H+]1CCC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300018699369	0	52	0.0	-74.88	405.47	13.01	-61.87
CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)C1	REAL300018699369	1	52	0.0	-75.10	405.79	13.03	-62.07
O=C([O-])CN1C=CC2=C(NC3CC[NH+](CC4CC4)CC3)C=CC=C21	REAL300018699370	0	49	0.0	-75.11	377.51	11.58	-63.53
CC(C)C[NH+]1CCC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC1	REAL300018699379	0	51	0.0	-74.24	385.06	11.47	-62.77
O=C([O-])CN1C=CC2=C(NC3CC[NH+](CC4=CC=NC=C4)CC3)C=CC=C21	REAL300018699386	0	51	0.0	-82.59	400.10	11.20	-71.39
CC(C)(C)[NH+]1CCC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC1	REAL300018699387	0	51	0.0	-70.64	375.35	10.78	-59.86
O=C([O-])CN1C=CC2=C(NC3CC[NH+](CCN4CCOCC4)CC3)C=CC=C21	REAL300018699393	0	58	0.0	-79.31	433.98	8.45	-70.86
CC1CCCCC1[NH+]1CCC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC1	REAL300018699413	0	58	0.0	-73.28	414.72	12.87	-60.41
CC(C)(CNC1=C2C=CN(CC(=O)[O-])C2=CC=C1)[NH+]1CCOCC1	REAL300018699453	0	49	0.0	-68.30	363.84	8.74	-59.56
CC1CC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018699559	0	55	0.0	-71.62	417.76	13.67	-57.95
CC1CC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018699559	1	55	0.0	-72.74	417.83	13.68	-59.06
O=C([O-])CN1C=CC2=C(NC3CC[N@@H+]4CCCC4C3)C=CC=C21	REAL300018699592	0	46	0.0	-69.49	348.06	10.64	-58.85
O=C([O-])CN1C=CC2=C(NC3CC[N@H+]4CCCC4C3)C=CC=C21	REAL300018699592	1	46	0.0	-71.44	348.12	10.66	-60.78
CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=C2C=CN(CC(=O)[O-])C2=CC=C1	REAL300018699596	0	52	0.0	-74.62	406.44	13.24	-61.38
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CC1CC(NC2=C3C=CN(CC(=O)[O-])C3=CC=C2)CC[N@@H+]1C	REAL300018699645	0	45	0.0	-74.44	338.06	9.55	-64.89
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CC(C1=CC=CC=C1)[N@H+]1CCC(NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)C1	REAL300018706667	1	52	0.0	-78.25	397.30	12.64	-65.61
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CC(C)C[NH+]1CCC(NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC1	REAL300018706680	0	51	0.0	-78.96	376.12	11.06	-67.90
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CC(C)(C)[NH+]1CCC(NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC1	REAL300018706689	0	51	0.0	-75.46	366.24	10.37	-65.09
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CC1CCCCC1[NH+]1CCC(NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC1	REAL300018706715	0	58	0.0	-77.88	405.89	12.47	-65.41
CC(C)(CNC1=CC=C(C2(C(=O)[O-])CC2)C=C1)[NH+]1CCOCC1	REAL300018706753	0	49	0.0	-72.06	354.85	8.35	-63.71
CC1CC(NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC[N@@H+]1CC1=CC=CC=C1	REAL300018706847	0	55	0.0	-79.81	412.43	13.03	-66.78
CC1CC(NC2=CC=C(C3(C(=O)[O-])CC3)C=C2)CC[N@H+]1CC1=CC=CC=C1	REAL300018706847	1	55	0.0	-78.29	410.96	12.98	-65.31
O=C([O-])C1(C2=CC=C(NC3CC[N@@H+]4CCCC4C3)C=C2)CC1	REAL300018706877	0	46	0.0	-74.61	339.21	10.24	-64.37
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CC1C[N@H+](CC2=CC=CC=C2)CC1NC1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300018706881	0	52	0.0	-79.15	395.93	12.76	-66.39
CC1C[N@@H+](CC2=CC=CC=C2)CC1NC1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300018706881	1	52	0.0	-80.28	396.40	12.84	-67.44
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C[N@@H+](CC1=CC=CC=C1)CC(C)(C)CNC1=CC=C(C2(C(=O)[O-])CC2)C=C1	REAL300018706959	1	57	0.0	-81.21	420.81	13.55	-67.66
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COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(C)C(F)=C1	REAL300018708829	0	40	0.0	-79.21	336.04	8.88	-70.33
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1[N+](=O)[O-]	REAL300018708831	1	39	0.0	-74.73	345.90	9.26	-65.47
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CC(C)(C)CC(C)(C)C1	REAL300018708832	0	52	0.0	-69.88	378.96	9.46	-60.42
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCC2=CC(Br)=CC=C2C1	REAL300018708833	0	44	0.0	-77.55	367.91	10.34	-67.21
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CNC2=CC=CC=C12	REAL300018708834	0	50	0.0	-75.40	398.18	10.36	-65.04
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C(Cl)=C1OC	REAL300018708835	1	45	0.0	-76.09	383.91	7.96	-68.13
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(C2=CC=CS2)C=C1	REAL300018708836	0	44	0.0	-78.44	376.67	10.79	-67.65
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC2=CC=CC=C2S1	REAL300018708837	0	40	0.0	-77.02	346.70	9.72	-67.30
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(OC(C)C)C=C1	REAL300018708838	0	47	0.0	-77.52	378.62	9.01	-68.51
CCCCCCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018708839	0	59	0.0	-77.10	468.20	12.31	-64.79
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC(C)CC1=CC=C(C(C)(C)C)C=C1	REAL300018708840	0	58	0.0	-74.82	442.29	12.54	-62.28
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(F)C(C)=C1	REAL300018708841	0	40	0.0	-80.70	336.03	8.87	-71.83
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C2NC=CC2=CC=C1	REAL300018708842	0	41	0.0	-77.64	340.67	8.18	-69.46
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CSC([N+](=O)[O-])=C1	REAL300018708843	1	36	0.0	-91.36	329.41	7.96	-83.40
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC=C1N1CCOCC1	REAL300018708844	0	50	0.0	-72.26	393.76	7.76	-64.50
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(CC(C)C)C=C1	REAL300018708845	0	49	0.0	-74.10	390.46	10.86	-63.24
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(C2=CC=C(C)C=C2)=C1	REAL300018708846	0	50	0.0	-78.04	404.92	12.25	-65.79
COC1=CC=C(Br)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018708847	1	41	0.0	-71.12	354.21	8.05	-63.07
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1[N+](=O)[O-]	REAL300018708848	0	43	0.0	-93.69	364.83	8.91	-84.78
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(Cl)=CC(Cl)=C1	REAL300018708849	0	37	0.0	-80.66	342.77	9.18	-71.48
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CC=C2C)=C1	REAL300018708850	0	50	0.0	-76.77	405.39	12.25	-64.52
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OC(F)F)=C1	REAL300018708851	0	41	0.0	-80.21	348.57	7.75	-72.46
CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1OCC	REAL300018708852	0	51	0.0	-81.68	411.77	9.21	-72.47
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCC(C(C)C)CC1	REAL300018708853	0	49	0.0	-69.63	364.11	9.29	-60.34
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300018708854	0	40	0.0	-85.61	361.21	9.58	-76.03
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(F)C=C1Br	REAL300018708855	1	37	0.0	-74.28	332.01	8.79	-65.49
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C2OC(F)(F)OC2=C1	REAL300018708856	0	40	0.0	-88.04	348.92	7.27	-80.77
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=NC2=CC=CC=C12	REAL300018708857	0	42	0.0	-84.36	345.76	8.44	-75.92
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OC(F)(F)F)=C1	REAL300018708858	0	41	0.0	-80.17	355.31	7.97	-72.20
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(S(C)(=O)=O)C=C1	REAL300018708859	0	43	0.0	-88.41	369.99	5.70	-82.71
COC1=CC=CC=C1C1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018708860	0	51	0.0	-78.10	417.55	11.24	-66.86
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCOCC1=CC=CC=C1	REAL300018708861	0	50	0.0	-73.30	400.30	9.59	-63.71
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CC(C2=CC=C(Cl)C=C2)C1	REAL300018708862	0	44	0.0	-76.91	369.78	10.47	-66.44
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300018708863	0	47	0.0	-78.93	400.24	12.11	-66.82
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300018708864	0	47	0.0	-79.72	400.26	12.10	-67.62
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C2=CC=CC=C12	REAL300018708865	0	47	0.0	-79.69	378.63	9.66	-70.03
CCC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)S1	REAL300018708866	0	40	0.0	-73.32	342.90	8.86	-64.46
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=NC2=CC=CC=C2N1C	REAL300018708867	1	43	0.0	-80.92	355.73	8.52	-72.40
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C2OCCC2=C1	REAL300018708868	0	42	0.0	-79.61	345.21	8.01	-71.60
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CSC(Br)=C1	REAL300018708869	0	34	0.0	-78.24	320.96	7.85	-70.39
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300018708870	1	50	0.0	-71.81	414.11	9.76	-62.05
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300018708871	1	50	0.0	-70.58	414.07	9.74	-60.84
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(N2CCCC2)N=C1	REAL300018708872	0	48	0.0	-80.35	383.23	8.08	-72.27
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1	REAL300018708873	0	45	0.0	-89.01	382.90	4.88	-84.13
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C2C=CNC2=CC=C1	REAL300018708874	0	41	0.0	-73.83	340.49	8.19	-65.64
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C2C=CNC2=C1	REAL300018708875	0	41	0.0	-78.14	340.68	8.20	-69.94
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CC1=CC=CS1	REAL300018708876	0	40	0.0	-67.16	334.42	8.63	-58.53
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC2=C1OC(F)(F)O2	REAL300018708877	1	40	0.0	-78.46	348.88	7.26	-71.20
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(F)C=C1C	REAL300018708878	0	40	0.0	-79.87	331.15	8.80	-71.07
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C2OC(C)(C)CCC2=C1	REAL300018708879	0	51	0.0	-77.78	399.93	9.99	-67.79
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CC(C)(C)C1=CC=CC=C1	REAL300018708880	0	52	0.0	-70.34	388.43	11.12	-59.22
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC=C1N(C)C	REAL300018708881	0	45	0.0	-68.88	362.03	8.19	-60.69
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(C2=CC=CN=C2)=C1	REAL300018708882	0	46	0.0	-79.78	378.54	9.81	-69.97
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(C2=CC=NC=C2)=C1	REAL300018708883	0	46	0.0	-81.81	378.74	9.83	-71.98
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(N2CCN(C)CC2)C=C1	REAL300018708884	1	54	0.0	-76.17	418.53	6.88	-69.29
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C(N2CCOCC2)N(C)N=C1C	REAL300018708885	1	53	0.0	-75.84	413.58	5.72	-70.12
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300018708886	0	46	0.0	-83.01	390.73	6.67	-76.34
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(C2=CN=CC=N2)CC1	REAL300018708887	0	47	0.0	-77.52	369.21	6.02	-71.50
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(CC2=CC=C(Cl)C=C2)CC1	REAL300018708888	0	52	0.0	-73.11	417.35	9.10	-64.01
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(CC2=CC=CC=C2Cl)CC1	REAL300018708889	0	52	0.0	-71.56	417.99	9.37	-62.19
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(CC2=CC=CC=N2)CC1	REAL300018708890	0	51	0.0	-73.53	396.02	6.71	-66.82
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300018708891	1	44	0.0	-83.53	374.60	9.44	-74.09
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C(C)N(C2=CC=C(Cl)C=C2)N=C1C	REAL300018708892	0	50	0.0	-81.74	423.43	10.80	-70.94
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300018708893	1	44	0.0	-82.91	384.92	9.89	-73.02
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C(C)(C)C)N=C1	REAL300018708894	1	46	0.0	-77.24	372.12	7.98	-69.26
COC1=CC(C(=O)[O-])=CC=C1CNCC1=CC=CC=C1N(C)C1CC[NH+](C)CC1	REAL300018708895	1	60	0.0	-59.26	454.30	10.07	-49.19
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(OCC(F)(F)F)C=C1	REAL300018708896	0	44	0.0	-80.88	380.24	8.86	-72.02
COC1=CC(C(=O)[O-])=CC=C1CNCC1=CC=C(OCC[NH+]2CCCC2)C=C1	REAL300018708897	1	56	0.0	-72.96	440.00	9.56	-63.40
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(Cl)=CC=C1OC(F)F	REAL300018708898	1	41	0.0	-77.37	363.93	8.33	-69.04
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300018708899	0	44	0.0	-77.69	393.88	11.46	-66.23
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300018708900	0	47	0.0	-86.04	391.60	6.71	-79.33
COC1=CC=CC(C2=NNC=C2C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018708901	0	48	0.0	-81.77	394.80	7.33	-74.44
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(OCC(F)(F)F)C(OC)=C1	REAL300018708902	0	48	0.0	-85.47	409.49	8.75	-76.72
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(N2CCCC2)N=C1	REAL300018708903	1	47	0.0	-84.34	378.37	8.04	-76.30
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300018708904	0	50	0.0	-81.15	415.46	9.68	-71.47
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300018708905	0	50	0.0	-79.24	413.34	9.76	-69.48
COC1=CC(C(=O)[O-])=CC=C1CNCC1=CC=C(OCC[NH+](C)C)C=C1	REAL300018708906	1	52	0.0	-74.62	414.74	8.46	-66.16
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C)N=C1C(C)C	REAL300018708907	0	46	0.0	-78.91	374.53	7.81	-71.10
COCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018708908	0	48	0.0	-76.88	394.30	7.67	-69.21
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300018708909	0	41	0.0	-80.78	354.84	8.02	-72.76
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300018708910	0	43	0.0	-83.42	388.24	9.72	-73.70
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300018708912	1	45	0.0	-77.17	373.58	7.90	-69.27
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=NC2=CC=CC=C2N1C(C)C	REAL300018708913	1	49	0.0	-81.58	390.70	9.74	-71.84
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(Br)=CN=C1OC	REAL300018708914	1	40	0.0	-74.70	356.37	5.56	-69.14
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CN=C1OC	REAL300018708915	1	40	0.0	-73.42	335.08	4.94	-68.48
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(Br)C=N1	REAL300018708916	1	36	0.0	-78.03	325.60	6.95	-71.08
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(N2CCOCC2)S1	REAL300018708917	0	46	0.0	-79.23	383.00	5.49	-73.74
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC2=NC=CC=C12	REAL300018708918	0	42	0.0	-83.97	345.42	8.42	-75.55
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OCC(F)(F)F)=C1	REAL300018708919	0	44	0.0	-78.35	380.24	8.86	-69.49
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC2=C1OCCO2	REAL300018708920	1	43	0.0	-73.46	352.19	7.40	-66.06
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC2=C1OCCCO2	REAL300018708921	1	46	0.0	-75.36	370.91	8.15	-67.21
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CC(C2=CC=CC(Cl)=C2)C1	REAL300018708922	0	44	0.0	-75.20	369.84	10.47	-64.73
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CC(C2=CC=CC(Br)=C2)C1	REAL300018708923	0	44	0.0	-75.08	374.41	10.58	-64.50
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CC(C2=CC=CC=C2Cl)C1	REAL300018708924	0	44	0.0	-74.27	365.88	10.40	-63.87
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300018708925	1	45	0.0	-85.35	378.51	9.45	-75.90
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(N2CCOCC2)N=C1	REAL300018708926	1	48	0.0	-85.32	387.50	6.54	-78.78
CCCN1C2=CC=CC=C2N=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1OC	REAL300018708927	1	49	0.0	-80.61	395.09	10.24	-70.37
CCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018708928	0	47	0.0	-75.60	382.17	9.20	-66.40
C#CCCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018708929	0	46	0.0	-78.44	387.99	9.71	-68.73
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(C2=CC=CC=C2)=CS1	REAL300018708930	0	44	0.0	-76.93	375.36	10.75	-66.18
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300018708931	0	44	0.0	-82.83	386.03	10.95	-71.88
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC2=C(C)NN=C2N=C1	REAL300018708932	0	42	0.0	-92.13	352.38	6.70	-85.43
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OC2CCCC2)=C1	REAL300018708933	0	51	0.0	-75.16	403.40	10.37	-64.79
CCC1=NC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)S1	REAL300018708934	0	39	0.0	-76.85	337.49	6.89	-69.96
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC=C1N1C=NC=N1	REAL300018708935	0	43	0.0	-67.56	353.68	11.28	-56.28
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C)N=C1C1=CC=CN=C1	REAL300018708936	0	46	0.0	-83.00	383.19	7.58	-75.42
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C)N=C1C1=CC=NC=C1	REAL300018708937	0	46	0.0	-82.18	383.67	7.59	-74.59
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C2C=CC=CN12	REAL300018708938	0	40	0.0	-83.09	336.15	8.61	-74.48
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(N(C)C)S1	REAL300018708939	0	41	0.0	-76.21	350.36	7.15	-69.06
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OC(C)C)=C1	REAL300018708940	0	47	0.0	-77.99	378.59	9.02	-68.97
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C)N=C1C1=CC2=CC=CC=C2O1	REAL300018708941	0	50	0.0	-74.84	418.19	10.20	-64.64
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300018708945	0	51	0.0	-78.28	424.30	11.62	-66.66
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CC=CC(F)=C1	REAL300018708948	0	46	0.0	-76.87	372.69	10.38	-66.49
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CC=CC(C)=C1	REAL300018708949	0	49	0.0	-73.19	387.68	10.97	-62.22
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CC=CC(C(F)(F)F)=C1	REAL300018708950	0	49	0.0	-77.55	405.01	11.30	-66.25
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CC=C(C)C=C1	REAL300018708951	0	49	0.0	-72.24	387.68	10.98	-61.26
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(C(C)C2=CC=CC=C2)C1	REAL300018708952	0	52	0.0	-71.63	404.61	8.73	-62.90
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[N@@H+](C(C)C2=CC=CC=C2)C1	REAL300018708952	1	52	0.0	-71.39	403.98	9.88	-61.51
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[N@H+](C(C)C2=CC=CC=C2)C1	REAL300018708952	1	52	0.0	-72.91	403.38	9.77	-63.14
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN(C)N=C1C1=CC=C([N+](=O)[O-])C=C1	REAL300018708953	0	49	0.0	-88.93	416.70	10.02	-78.91
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[NH+](CC2CC2)CC1	REAL300018708954	0	49	0.0	-73.23	375.19	8.41	-64.82
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CC=C(OCC=C(C)C)C=C1	REAL300018708956	0	60	0.0	-74.68	469.97	12.56	-62.12
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300018708959	0	44	0.0	-78.59	383.57	11.02	-67.57
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(C2=CC=C(F)C=C2F)CC1	REAL300018708960	0	49	0.0	-76.54	393.61	8.88	-67.66
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC2=NC=CN=C2C=C1	REAL300018708961	0	41	0.0	-84.86	345.35	6.59	-78.27
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=CC=C1OC1CCCC1	REAL300018708962	1	51	0.0	-68.99	402.03	10.44	-58.55
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN2C=C(Cl)C=CC2=N1	REAL300018708963	1	40	0.0	-77.48	353.01	9.19	-68.29
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(C(C)(C)C)S1	REAL300018708964	0	45	0.0	-76.30	376.15	7.96	-68.34
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[NH+](CC(C)C)CC1	REAL300018708965	0	51	0.0	-72.48	382.46	8.29	-64.19
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C(C)SC(C)=C1	REAL300018708966	0	40	0.0	-74.40	339.31	8.71	-65.69
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(C2=CC=C(C)C=C2)S1	REAL300018708967	0	47	0.0	-76.47	398.56	11.63	-64.84
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300018708968	1	43	0.0	-86.01	375.41	8.48	-77.53
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(Cl)=CC(Cl)=C1OC	REAL300018708969	1	41	0.0	-77.05	371.58	8.61	-68.44
C#CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1	REAL300018708970	0	43	0.0	-80.03	366.49	8.94	-71.09
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300018708971	0	48	0.0	-79.34	410.83	11.16	-68.18
CCOC1=C(OC)C=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1OC	REAL300018708972	0	52	0.0	-86.04	423.06	8.23	-77.81
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(CC2=CC=NC=C2)CC1	REAL300018708973	0	51	0.0	-74.31	396.35	6.99	-67.32
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[NH+](C(C)(C)C)CC1	REAL300018708974	0	51	0.0	-69.31	372.81	7.60	-61.71
COCCCOC1=CC=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C1	REAL300018708975	0	51	0.0	-77.18	415.84	8.27	-68.91
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(SC)C(OC)=C1	REAL300018708976	0	45	0.0	-81.72	378.23	8.52	-73.20
CCC(C)OC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1OC	REAL300018708977	0	54	0.0	-81.36	428.60	9.70	-71.66
C=C(C)COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1OC	REAL300018708978	0	52	0.0	-82.55	422.20	9.64	-72.91
COC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1OCCC(C)C	REAL300018708979	0	57	0.0	-81.54	450.48	10.38	-71.16
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCN(CCN2CCOCC2)CC1	REAL300018708980	0	58	0.0	-73.12	429.65	4.13	-68.99
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[NH+](CCN2CCOCC2)CC1	REAL300018708980	1	58	0.0	-78.37	432.19	5.30	-73.07
CCOCC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=CC=C1OC	REAL300018708981	0	51	0.0	-75.61	412.90	8.38	-67.23
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC(C2=CC=CC=C2)=NN1	REAL300018708982	0	44	0.0	-85.06	368.72	8.10	-76.96
CCOC1=CC=C([N+](=O)[O-])C=C1C[NH2+]CC1=CC=C(C(=O)[O-])C=C1OC	REAL300018708983	1	46	0.0	-80.20	387.51	9.13	-71.07
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C(OCC(F)(F)F)N(C)N=C1C	REAL300018708984	1	47	0.0	-77.50	406.72	6.69	-70.81
CCCC(CC1=CC=CC=C1)[NH2+]CC1=CC=C(C(=O)[O-])C=C1OC	REAL300018708985	0	49	0.0	-68.19	371.73	10.87	-57.32
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=NC(C2=CC=CC=C2)=CS1	REAL300018708987	1	43	0.0	-76.15	372.47	8.94	-67.21
CCN1N=C(C)C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C1C	REAL300018708988	0	46	0.0	-78.53	371.98	7.78	-70.75
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C(C)CCC1=CC=C(C(F)(F)F)C=C1	REAL300018708989	0	49	0.0	-77.00	405.01	11.31	-65.69
C=CCOC1=CC=C(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)C=C1Cl	REAL300018708990	0	45	0.0	-81.55	389.61	9.53	-72.02
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CN=C(C2=CC=CC=C2)S1	REAL300018708991	0	43	0.0	-78.67	374.34	9.20	-69.47
COCCC(CC1=CC=CC(F)=C1)[NH2+]CC1=CC=C(C(=O)[O-])C=C1OC	REAL300018708992	0	50	0.0	-73.71	394.23	9.12	-64.59
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]C1CCCC1CCC(C)C	REAL300018708993	0	52	0.0	-69.34	391.10	10.39	-58.95
CCCCC1CCCC1[NH2+]CC1=CC=C(C(=O)[O-])C=C1OC	REAL300018708994	0	49	0.0	-69.76	374.69	9.90	-59.86
COC1=CC(C[NH2+]CC2=CC=C(C(=O)[O-])C=C2OC)=C2OC(C)CC2=C1	REAL300018708995	1	49	0.0	-72.60	395.74	8.05	-64.55
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=NN(C)C2=CC=CC=C21	REAL300018708996	1	43	0.0	-78.14	359.26	8.09	-70.05
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=C2C=CC=CC2=NN1	REAL300018708997	0	40	0.0	-88.00	336.20	6.79	-81.21
COC1=CC(C(=O)[O-])=CC=C1C[NH2+]CC1=CC=C(N(C)C)C(F)=C1	REAL300018708998	0	45	0.0	-81.29	370.21	7.72	-73.57
COC1=CC(C(=O)[O-])=CC=C1CNC1CC[NH+](C2CCCCC2C)CC1	REAL300018709000	0	58	0.0	-71.48	412.64	9.70	-61.78
CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1F	REAL300018711574	0	46	0.0	-47.96	338.03	10.24	-37.72
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(C)(C)CC(C)(C)C1)C2	REAL300018711576	0	58	0.0	-46.78	366.65	10.24	-36.54
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3=CC(Br)=CC=C3C1)C2	REAL300018711577	0	50	0.0	-39.89	363.67	11.71	-28.18
CC(CCC1=CNC2=CC=CC=C12)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711578	0	56	0.0	-50.03	399.85	11.64	-38.39
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(Cl)=C1OC	REAL300018711579	0	51	0.0	-49.34	379.79	9.32	-40.02
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C3=CC=CS3)C=C1)C2	REAL300018711580	0	50	0.0	-49.23	378.54	12.10	-37.13
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=CC=C3S1)C2	REAL300018711581	0	46	0.0	-39.85	342.52	11.07	-28.78
CC(C)OC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711582	0	53	0.0	-49.72	379.80	10.35	-39.37
CCCCCCCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711583	0	65	0.0	-48.52	469.36	13.65	-34.87
CC(C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C)CC1=CC=C(C(C)(C)C)C=C1	REAL300018711584	0	64	0.0	-47.05	443.44	13.87	-33.18
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1F	REAL300018711585	0	46	0.0	-51.02	338.03	10.23	-40.79
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C3NC=CC3=CC=C1)C2	REAL300018711586	0	47	0.0	-34.83	329.06	9.66	-25.17
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC([N+](=O)[O-])=C1)C2	REAL300018711587	0	42	0.0	-38.78	322.77	9.31	-29.47
CC(C)CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711588	0	55	0.0	-39.86	386.33	12.23	-27.63
CC1=CC=C(C2=CC=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=C2)C=C1	REAL300018711589	0	56	0.0	-40.59	398.32	13.59	-27.00
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC(C)=C1	REAL300018711590	0	49	0.0	-40.03	347.82	10.86	-29.17
COC1=CC=C(Br)C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711591	0	47	0.0	-35.53	346.69	9.27	-26.26
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1[N+](=O)[O-]	REAL300018711592	0	49	0.0	-67.12	366.84	10.26	-56.86
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1)C2	REAL300018711593	0	43	0.0	-43.57	338.51	10.55	-33.02
CC1=CC=CC=C1C1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711594	0	56	0.0	-40.70	398.75	13.59	-27.11
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(OC(F)F)=C1)C2	REAL300018711595	0	47	0.0	-39.19	341.98	9.09	-30.10
CCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OCC	REAL300018711596	0	57	0.0	-52.91	413.77	10.56	-42.35
CC(C)C1CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711597	0	55	0.0	-40.32	353.42	10.87	-29.45
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(Cl)C(C(F)(F)F)=C1)C2	REAL300018711598	0	46	0.0	-57.65	363.22	10.94	-46.71
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(F)C=C1Br)C2	REAL300018711599	0	43	0.0	-44.78	327.84	10.15	-34.63
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3OC(F)(F)OC3=C1)C2	REAL300018711600	0	46	0.0	-46.01	344.52	8.75	-37.26
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=NC3=CC=CC=C13)C2	REAL300018711601	0	48	0.0	-44.65	339.28	9.84	-34.81
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(OC(F)(F)F)=C1)C2	REAL300018711602	0	47	0.0	-36.33	348.72	9.30	-27.03
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(S(C)(=O)=O)C=C1)C2	REAL300018711603	0	49	0.0	-52.98	365.87	7.07	-45.91
COC1=CC=CC=C1C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711604	0	57	0.0	-50.47	419.37	12.55	-37.92
CC(CCOCC1=CC=CC=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711605	0	56	0.0	-37.33	390.47	10.96	-26.37
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(C3=CC=C(Cl)C=C3)C1)C2	REAL300018711606	0	50	0.0	-48.75	367.96	11.60	-37.15
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C3=CC=C(Cl)C=C3)C=C1)C2	REAL300018711607	0	53	0.0	-43.30	396.10	13.48	-29.82
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(C3=CC=C(Cl)C=C3)=C1)C2	REAL300018711608	0	53	0.0	-43.32	396.09	13.45	-29.87
CCC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711609	0	46	0.0	-37.53	338.74	10.21	-27.32
CN1C2=CC=CC=C2N=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711610	0	49	0.0	-42.32	351.56	9.88	-32.44
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3OCCC3=C1)C2	REAL300018711611	0	48	0.0	-50.18	346.92	9.32	-40.86
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(Br)=C1)C2	REAL300018711612	0	40	0.0	-35.50	314.38	9.19	-26.31
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(N3CCCC3)N=C1)C2	REAL300018711613	0	54	0.0	-49.99	384.76	9.35	-40.64
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(NS(C)(=O)=O)=C1)C2	REAL300018711614	0	51	0.0	-52.10	378.51	6.26	-45.84
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C3C=CNC3=CC=C1)C2	REAL300018711615	0	47	0.0	-36.26	325.71	9.26	-27.00
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3C=CNC3=C1)C2	REAL300018711616	0	47	0.0	-49.31	342.60	9.52	-39.79
CC(CC1=CC=CS1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711617	0	46	0.0	-49.22	330.01	9.61	-39.61
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=C1OC(F)(F)O3)C2	REAL300018711618	0	46	0.0	-44.53	350.69	8.60	-35.93
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3OC(C)(C)CCC3=C1)C2	REAL300018711619	0	57	0.0	-41.86	395.63	11.36	-30.50
CC(CC(C)(C)C1=CC=CC=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711620	0	58	0.0	-37.45	374.78	12.25	-25.20
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(C3=CC=CN=C3)=C1)C2	REAL300018711621	0	52	0.0	-39.08	371.95	11.15	-27.93
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(C3=CC=NC=C3)=C1)C2	REAL300018711622	0	52	0.0	-40.23	372.14	11.16	-29.07
CN1CCN(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=C2)CC1	REAL300018711623	1	60	0.0	-41.44	414.38	8.25	-33.19
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OC3=CN=CC=N3)C=C1)C2	REAL300018711624	0	52	0.0	-53.48	392.82	7.95	-45.53
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(C3=CN=CC=N3)CC1)C2	REAL300018711625	0	53	0.0	-42.15	360.58	7.19	-34.96
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(CC3=CC=C(Cl)C=C3)CC1)C2	REAL300018711626	0	58	0.0	-40.13	413.99	10.48	-29.65
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(CC3=CC=CC=C3Cl)CC1)C2	REAL300018711627	0	58	0.0	-47.38	417.71	10.63	-36.75
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(CC3=CC=CC=N3)CC1)C2	REAL300018711628	0	57	0.0	-36.91	386.65	7.97	-28.94
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN(C3=CC=C(F)C=C3)N=C1)C2	REAL300018711629	0	50	0.0	-56.37	376.39	10.75	-45.62
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN(C3=CC=C(Cl)C=C3)N=C1)C2	REAL300018711630	0	50	0.0	-55.68	386.71	11.20	-44.48
CC(C)(C)N1C=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300018711631	0	52	0.0	-51.84	373.93	9.29	-42.55
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OCC(F)(F)F)C=C1)C2	REAL300018711632	0	50	0.0	-51.10	381.45	10.19	-40.91
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C3=CC=CC(Cl)=C3)S1)C2	REAL300018711634	0	50	0.0	-40.08	389.71	12.82	-27.26
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(N3CCCC3)N=C1)C2	REAL300018711635	0	53	0.0	-54.51	379.52	9.39	-45.12
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OCC3=CC=NC=C3)C=C1)C2	REAL300018711636	0	56	0.0	-46.50	411.33	11.06	-35.44
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(OCC3=CC=CC=N3)=C1)C2	REAL300018711637	0	56	0.0	-45.34	409.17	11.12	-34.22
COCCOC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711639	0	54	0.0	-37.28	387.68	9.00	-28.28
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1Cl	REAL300018711640	0	47	0.0	-54.18	356.84	9.38	-44.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC(Cl)=CC(Cl)=C3OC1)C2	REAL300018711641	0	49	0.0	-54.23	390.08	11.03	-43.20
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(C3=CC=CC=N3)=N1)C2	REAL300018711642	0	48	0.0	-34.42	362.75	8.41	-26.01
COC1=NC=C(Br)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711643	0	46	0.0	-37.93	352.04	7.03	-30.90
COC1=NC=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711644	0	46	0.0	-39.69	325.71	6.72	-32.97
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(Br)C=N1)C2	REAL300018711645	0	42	0.0	-43.10	325.63	8.29	-34.81
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(N3CCOCC3)S1)C2	REAL300018711646	0	52	0.0	-43.45	378.59	6.97	-36.48
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=NC=CC=C13)C2	REAL300018711647	0	48	0.0	-44.42	338.57	9.83	-34.59
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(OCC(F)(F)F)=C1)C2	REAL300018711648	0	50	0.0	-38.04	373.65	10.20	-27.84
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=C1OCCO3)C2	REAL300018711649	0	49	0.0	-43.46	348.07	8.74	-34.72
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=C1OCCCO3)C2	REAL300018711650	0	52	0.0	-41.56	364.97	9.54	-32.02
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(C3=CC=CC(Cl)=C3)C1)C2	REAL300018711651	0	50	0.0	-43.39	367.11	11.88	-31.51
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(C3=CC=CC(Br)=C3)C1)C2	REAL300018711652	0	50	0.0	-43.32	371.68	11.99	-31.33
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(C3=CC=CC=C3Cl)C1)C2	REAL300018711653	0	50	0.0	-44.46	359.31	11.63	-32.83
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(C3=CC=CC=C3)N=C1)C2	REAL300018711654	0	51	0.0	-49.07	374.35	10.84	-38.23
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(N3CCOCC3)N=C1)C2	REAL300018711655	0	54	0.0	-55.59	388.65	7.89	-47.70
CCCOC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711656	0	53	0.0	-36.13	375.55	10.53	-25.60
C#CCCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711657	0	52	0.0	-49.96	389.15	11.05	-38.91
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(C3=CC=CC=C3)=CS1)C2	REAL300018711658	0	50	0.0	-41.89	370.97	12.23	-29.66
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(F)C(C3=CC=CS3)=C1)C2	REAL300018711659	0	50	0.0	-50.91	388.03	12.30	-38.61
CC1=C2C=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=NC2=NN1	REAL300018711660	0	48	0.0	-57.93	348.09	8.06	-49.87
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(OC3CCCC3)=C1)C2	REAL300018711661	0	57	0.0	-40.43	399.28	11.86	-28.57
CCC1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711662	0	45	0.0	-41.15	333.10	8.35	-32.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C3C=CC=CN13)C2	REAL300018711663	0	46	0.0	-54.50	336.18	9.95	-44.55
CN(C)C1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711664	0	47	0.0	-41.58	345.80	8.68	-32.90
CC(C)OC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711665	0	53	0.0	-37.57	372.54	10.37	-27.20
CC1=CC=C(C2=NC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=CS2)C=C1	REAL300018711666	0	52	0.0	-32.74	388.72	10.96	-21.78
CC(C)C1=NC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CS1	REAL300018711667	0	48	0.0	-36.67	352.92	8.57	-28.10
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(C3CC3)=N1)C2	REAL300018711668	0	46	0.0	-50.13	347.79	8.76	-41.37
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(OCC3=CC=CC=C3F)=C1)C2	REAL300018711669	0	57	0.0	-38.23	417.67	12.95	-25.28
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(COC3=CC=CC=C3)=N1)C2	REAL300018711670	0	53	0.0	-40.61	401.58	9.84	-30.77
CCC1=NC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CS1	REAL300018711671	0	45	0.0	-36.94	333.20	8.00	-28.94
CC(CCC1=CC=CC(F)=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711672	0	52	0.0	-40.83	368.36	11.74	-29.09
CC1=CC=CC(CCC(C)[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711673	0	55	0.0	-36.45	377.88	12.35	-24.10
CC(CCC1=CC=CC(C(F)(F)F)=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711674	0	55	0.0	-38.77	395.21	12.66	-26.11
CC1=CC=C(CCC(C)[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711675	0	55	0.0	-36.73	377.76	12.34	-24.39
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC(F)(F)CC1)C2	REAL300018711676	0	46	0.0	-39.32	311.43	8.91	-30.41
CC(C1=CC=CC=C1)N1CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300018711677	0	58	0.0	-43.68	400.26	10.01	-33.67
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(CC3CC3)CC1)C2	REAL300018711678	1	55	0.0	-35.17	365.69	8.63	-26.54
CC(C)=CCOC1=CC=C(CCC(C)[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711679	0	66	0.0	-50.17	470.97	13.85	-36.32
CC(C)(C)C1=NC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CS1	REAL300018711680	0	51	0.0	-36.49	371.85	9.08	-27.41
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(C3=CSC=C3)=N1)C2	REAL300018711681	0	46	0.0	-32.47	358.37	9.22	-23.25
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C3=CC=CC(F)=C3)S1)C2	REAL300018711682	0	50	0.0	-40.68	379.39	12.38	-28.30
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(C3=CC=C(F)C=C3F)CC1)C2	REAL300018711683	0	55	0.0	-38.58	384.38	10.15	-28.43
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=NC=CN=C3C=C1)C2	REAL300018711684	0	47	0.0	-56.74	347.34	7.94	-48.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN3C=C(Cl)C=CC3=N1)C2	REAL300018711685	0	46	0.0	-39.79	348.84	10.55	-29.24
CC(C)(C)C1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711686	0	51	0.0	-41.44	371.99	9.32	-32.12
CC(C)CN1CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711687	1	57	0.0	-48.75	378.28	8.51	-40.24
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C(C)S1	REAL300018711688	0	46	0.0	-38.42	331.97	10.06	-28.36
CC1=CC=C(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)S2)C=C1	REAL300018711689	0	53	0.0	-44.56	398.59	12.95	-31.61
COC1=C(Cl)C=C(Cl)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711690	0	47	0.0	-45.81	373.40	9.95	-35.86
C#CCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711691	0	49	0.0	-50.78	367.65	10.27	-40.51
CCOC1=C(OC)C=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OC	REAL300018711692	0	58	0.0	-53.78	422.19	9.60	-44.18
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(CC3=CC=NC=C3)CC1)C2	REAL300018711693	0	57	0.0	-42.40	393.02	8.37	-34.03
CC(C)(C)N1CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711694	1	57	0.0	-35.42	363.78	7.88	-27.54
COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1SC	REAL300018711695	0	51	0.0	-52.94	380.23	9.87	-43.07
CCC(C)OC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1OC	REAL300018711696	0	60	0.0	-52.22	430.64	11.06	-41.16
C=C(C)COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1OC	REAL300018711697	0	58	0.0	-53.10	424.23	11.00	-42.10
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OCCC(C)C	REAL300018711698	0	63	0.0	-52.44	452.48	11.75	-40.69
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(CCN3CCOCC3)CC1)C2	REAL300018711699	0	64	0.0	-46.26	430.60	5.63	-40.63
CCOCC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1OC	REAL300018711700	0	57	0.0	-43.97	408.64	9.75	-34.22
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(C3=CC=CC=C3)=NN1)C2	REAL300018711701	0	50	0.0	-53.81	368.74	9.44	-44.37
CCCC(CC1=CC=CC=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711702	0	55	0.0	-44.61	366.61	11.64	-32.97
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN(C3=CC=CC=C3)N=N1)C2	REAL300018711703	0	49	0.0	-43.48	358.04	9.36	-34.12
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC(C3=CC=CC=C3)=CS1)C2	REAL300018711704	0	49	0.0	-44.82	374.27	10.28	-34.54
CC(CCC1=CC=C(C(F)(F)F)C=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711705	0	55	0.0	-38.32	395.10	12.66	-25.66
C=CCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1Cl	REAL300018711706	0	51	0.0	-43.16	385.31	10.90	-32.26
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(C3=CC=CC=C3)S1)C2	REAL300018711707	0	49	0.0	-43.18	369.95	10.68	-32.50
COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C2OC(C)CC2=C1	REAL300018711708	0	55	0.0	-40.47	391.44	9.40	-31.07
CN1N=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C2=CC=CC=C21	REAL300018711709	0	49	0.0	-40.48	355.10	9.45	-31.03
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C3C=CC=CC3=NN1)C2	REAL300018711710	0	46	0.0	-48.29	332.02	8.15	-40.14
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NNC3=CC=CC=C31)C2	REAL300018711710	1	46	0.0	-40.19	332.24	8.16	-32.03
CN(C)C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1F	REAL300018711711	0	51	0.0	-47.01	365.93	9.08	-37.93
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC=CN1CC(F)(F)F)C2	REAL300018711712	0	46	0.0	-45.14	342.14	9.13	-36.01
CC(C)CC(CC1=CC=CC(Cl)=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711714	0	58	0.0	-42.57	397.99	12.54	-30.03
CC1(C)CC2=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=CC=C2O1	REAL300018711715	0	54	0.0	-43.73	382.42	10.79	-32.94
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=COC(C3=CC=CC=C3)=N1)C2	REAL300018711716	0	49	0.0	-40.81	361.79	7.97	-32.84
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(C3=CC=CS3)=N1)C2	REAL300018711717	0	46	0.0	-38.36	361.63	9.36	-29.00
CC(CC1=CSC=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711718	0	46	0.0	-38.02	324.42	9.82	-28.20
COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC(C(F)(F)F)=C1	REAL300018711719	0	50	0.0	-52.35	379.38	9.75	-42.60
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(Br)C=C1Cl)C2	REAL300018711720	0	43	0.0	-44.61	339.15	10.60	-34.01
CC(CSC(C)(C)C)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711721	0	52	0.0	-39.12	355.77	10.30	-28.82
CN(C)C1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)N1C	REAL300018711722	0	51	0.0	-42.98	363.40	8.66	-34.32
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC(C3=CC=CC=C3)=CN1)C2	REAL300018711723	0	50	0.0	-43.06	364.07	9.84	-33.22
CC(C)COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711724	0	56	0.0	-42.76	398.13	11.27	-31.49
COCCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711725	0	54	0.0	-50.40	395.50	8.99	-41.41
CCC(CC1=CC=C(Cl)C=C1Cl)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711726	0	52	0.0	-29.09	380.53	12.20	-16.89
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1CCCC(C)(C)C1)C2	REAL300018711727	0	55	0.0	-37.69	359.02	10.85	-26.84
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OC(F)F)C(Cl)=C1)C2	REAL300018711728	0	47	0.0	-45.76	360.33	9.66	-36.10
CC1=CC(N(C)C)=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711729	0	54	0.0	-40.29	373.04	10.49	-29.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3CCCC3=C1)C2	REAL300018711730	0	50	0.0	-40.72	350.55	11.45	-29.27
CC1=CC=CC=C1CC(C)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711731	0	52	0.0	-47.25	354.87	10.96	-36.29
CC1=CC=CC(CC(C)[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711732	0	52	0.0	-38.82	355.64	11.55	-27.27
COC1=CC2=C(C=C1C[NH2+]C1CC3CCC1(C(=O)[O-])C3(C)C)OCO2	REAL300018711733	0	50	0.0	-43.17	359.30	7.55	-35.62
COC1=CC(Cl)=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OC	REAL300018711734	0	51	0.0	-38.90	373.73	9.13	-29.77
COC1=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)SC=C1	REAL300018711735	0	44	0.0	-37.45	325.26	7.94	-29.51
CC(C)COC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711736	0	56	0.0	-36.04	395.66	11.23	-24.81
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(F)C3=CC=CC=C13)C2	REAL300018711737	0	49	0.0	-50.44	355.83	11.68	-38.76
C=CCOC1=C(Cl)C=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OC	REAL300018711738	0	55	0.0	-48.50	418.53	10.90	-37.60
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1CN1C=CC=N1	REAL300018711739	0	57	0.0	-53.75	423.53	10.52	-43.23
CC1(C)CC2=CC=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=C2O1	REAL300018711740	0	54	0.0	-39.83	378.70	10.85	-28.98
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC3=C(CCCC3)S1)C2	REAL300018711741	0	49	0.0	-47.31	357.86	9.25	-38.06
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=NC=C1Br)C2	REAL300018711742	0	42	0.0	-45.21	316.82	8.31	-36.90
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=NC=C1Cl)C2	REAL300018711743	0	42	0.0	-45.69	313.21	8.21	-37.48
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(F)=CC(Br)=C1)C2	REAL300018711744	0	43	0.0	-51.58	338.51	10.13	-41.45
CC(CC1=CC=C(F)C=C1Cl)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711745	0	49	0.0	-37.79	353.38	11.35	-26.44
CCC1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300018711746	0	47	0.0	-53.42	343.47	8.09	-45.33
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(N3C=CC=N3)=C1)C2	REAL300018711747	0	50	0.0	-49.61	361.07	10.70	-38.91
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=NC=C3C=C1)C2	REAL300018711748	0	48	0.0	-40.42	343.72	9.99	-30.43
CC1=C(Br)SC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711749	0	43	0.0	-39.78	336.63	9.97	-29.81
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC(Br)=CC=C3O1)C2	REAL300018711750	0	46	0.0	-47.10	358.51	10.65	-36.45
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C3CCCN13)C2	REAL300018711751	0	47	0.0	-43.77	328.49	9.06	-34.71
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCN(S(C)(=O)=O)CC1)C2	REAL300018711752	0	51	0.0	-46.93	359.72	5.36	-41.57
COC1=CC(F)=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711753	0	47	0.0	-43.65	340.96	8.90	-34.75
CC(CC1=CN=CC=N1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711754	0	47	0.0	-36.71	330.81	7.15	-29.56
CC(C)(C)C1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300018711755	0	53	0.0	-45.27	375.88	9.61	-35.66
COC1=CC=CC=C1N1CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711756	0	59	0.0	-41.93	405.98	9.47	-32.46
CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(Cl)=C1	REAL300018711757	0	46	0.0	-34.66	336.46	10.59	-24.07
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C(Cl)=C1)C2	REAL300018711758	0	45	0.0	-63.84	352.00	10.57	-53.27
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CCC1=CC=CC(Cl)=C1)C2	REAL300018711759	0	46	0.0	-50.62	348.74	10.78	-39.84
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1OC1=CC=CN=C1	REAL300018711760	0	56	0.0	-50.79	415.92	11.34	-39.45
CC(CC1=CC=C(F)C=C1Br)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711761	0	49	0.0	-36.86	356.19	11.48	-25.38
CC1=CC=C(C2=NC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)S2)C=C1	REAL300018711762	0	52	0.0	-42.99	391.34	11.34	-31.65
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(Cl)=CC3=CC=CN=C31)C2	REAL300018711763	0	48	0.0	-41.76	361.66	10.57	-31.19
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C(Cl)C=CC3=CC=CN=C31)C2	REAL300018711764	0	48	0.0	-41.05	364.77	10.40	-30.65
CS(=O)C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711765	0	48	0.0	-56.95	357.40	8.14	-48.81
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C([N+](=O)[O-])C=C1Cl)C2	REAL300018711766	0	45	0.0	-52.73	346.07	10.65	-42.08
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C3=C(F)C=CC=C3F)O1)C2	REAL300018711767	0	50	0.0	-42.92	379.88	11.59	-31.33
CC1=CC(F)=CC=C1C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300018711768	0	53	0.0	-35.44	389.62	12.13	-23.31
CCC1=CC=C(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)O2)C=C1	REAL300018711769	0	56	0.0	-40.61	408.28	12.87	-27.74
CC(C)C1CC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CCO1	REAL300018711770	0	53	0.0	-39.58	353.97	8.65	-30.93
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3CCCCC3=C1)C2	REAL300018711771	0	53	0.0	-40.17	367.74	12.03	-28.14
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC(C3CCCCC3)CC1)C2	REAL300018711772	0	62	0.0	-37.17	401.36	12.51	-24.66
CC(C)CC(C)CC(C)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711773	0	57	0.0	-35.37	370.58	11.07	-24.30
CC1=CC=C(C(C)C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711774	0	52	0.0	-46.72	367.95	11.48	-35.24
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1C(C)(C)C	REAL300018711775	0	59	0.0	-48.57	411.98	11.51	-37.06
COCC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)O1	REAL300018711776	0	47	0.0	-37.07	339.00	7.52	-29.55
CC(C)(C)OC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711777	0	56	0.0	-36.84	384.09	10.85	-25.99
CC(C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C)C1CCCCC1	REAL300018711778	0	55	0.0	-38.27	361.12	10.99	-27.28
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(S(N)(=O)=O)C=C1)C2	REAL300018711779	0	48	0.0	-59.03	365.40	4.44	-54.59
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3=CC=CC(Cl)=C3C1)C2	REAL300018711780	0	50	0.0	-39.92	356.48	11.53	-28.39
CCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C)=C1	REAL300018711781	0	53	0.0	-42.75	371.88	10.32	-32.43
COC1=CC(C)=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711782	0	50	0.0	-40.28	354.70	9.56	-30.72
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(Cl)=CC(Cl)=C1N)C2	REAL300018711783	0	45	0.0	-49.01	351.68	8.66	-40.35
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC(C3=CC=C(F)C=C3)C1)C2	REAL300018711784	0	53	0.0	-49.91	376.89	11.88	-38.03
COCC1=CSC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711785	0	47	0.0	-41.07	350.44	8.47	-32.60
CCCC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711786	0	49	0.0	-37.52	360.24	10.99	-26.53
CC(C)N1C=CN=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711787	0	49	0.0	-37.92	345.99	9.34	-28.58
CC1=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=CC=C1[N+](=O)[O-]	REAL300018711788	0	48	0.0	-54.33	345.27	10.70	-43.63
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1Br	REAL300018711789	0	46	0.0	-49.94	350.81	10.71	-39.23
COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1Cl	REAL300018711790	0	47	0.0	-45.78	350.56	9.39	-36.39
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C3OC=CC3=CC=C1)C2	REAL300018711791	0	46	0.0	-44.64	332.49	9.85	-34.79
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NN(C3=CC=CC=C3)C=C1)C2	REAL300018711792	0	50	0.0	-44.03	368.23	10.63	-33.40
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(C(F)(F)F)S1)C2	REAL300018711793	0	42	0.0	-46.50	330.99	8.06	-38.44
CCC1=NN(C)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711794	0	49	0.0	-48.99	355.01	8.64	-40.35
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NN3CCCCC3=C1)C2	REAL300018711795	0	50	0.0	-35.33	347.08	8.82	-26.51
CCC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711796	0	49	0.0	-46.73	354.20	10.96	-35.77
COC1=NC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711797	0	43	0.0	-42.93	322.66	5.14	-37.79
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC3=CC=C(Cl)C=C3C1)C2	REAL300018711798	0	47	0.0	-48.51	345.34	10.84	-37.67
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=C(C=N1)OCCO3)C2	REAL300018711799	0	48	0.0	-40.86	344.58	6.89	-33.97
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C3C=CC(Cl)=CN13)C2	REAL300018711800	0	46	0.0	-45.89	348.70	10.48	-35.41
CC1=CC=CN2C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=CN=C12	REAL300018711801	0	49	0.0	-54.12	357.63	10.54	-43.58
CN1C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CN=C1Cl	REAL300018711802	0	43	0.0	-44.68	321.26	8.51	-36.17
CN1C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CN=C1Br	REAL300018711803	0	43	0.0	-44.50	325.55	8.53	-35.97
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN(C3=CC=C(F)C=C3)N=N1)C2	REAL300018711804	0	49	0.0	-43.93	364.45	9.43	-34.50
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(C(F)(F)F)=NN1)C2	REAL300018711805	0	43	0.0	-54.21	330.60	6.87	-47.34
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=C(F)C=CC=C3N1)C2	REAL300018711806	0	47	0.0	-50.49	349.53	9.54	-40.95
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=C(F)C=C3N1)C2	REAL300018711807	0	47	0.0	-52.38	349.43	9.53	-42.85
CCOC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300018711808	0	49	0.0	-32.72	351.50	7.08	-25.64
CC1=C(Cl)C=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711809	0	46	0.0	-43.55	334.61	10.53	-33.02
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=NC=C3S1)C2	REAL300018711810	0	45	0.0	-43.07	337.26	9.28	-33.79
CC1=CC=CC2=NC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)N21	REAL300018711811	0	49	0.0	-45.50	335.78	10.26	-35.24
CC(CCC1=NNC2=CC=CC=C21)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711812	0	55	0.0	-46.01	388.68	9.90	-36.11
C=CCCCCCC(C)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711813	0	55	0.0	-37.62	379.32	11.55	-26.07
CC1=CC(Cl)=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711814	0	46	0.0	-47.30	348.96	10.61	-36.69
COCC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711815	0	50	0.0	-41.96	360.24	9.28	-32.68
COCC(CC(C)(C)C)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711816	0	55	0.0	-46.42	368.92	8.47	-37.95
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=CC(F)=C3N=C1)C2	REAL300018711817	0	48	0.0	-48.89	352.55	9.97	-38.92
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC2=CC=CN=C12	REAL300018711818	0	51	0.0	-45.59	366.39	10.72	-34.87
CC(C)C1CCCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C1	REAL300018711819	0	55	0.0	-42.25	358.70	10.42	-31.83
CCCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1C	REAL300018711820	0	56	0.0	-49.26	404.24	11.30	-37.96
COC1=C(C)C=NC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1C	REAL300018711821	0	52	0.0	-38.64	368.93	8.45	-30.19
COC1=CC2=CC=CC=C2C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711822	0	53	0.0	-48.57	383.12	11.14	-37.43
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(S(C)(=O)=O)S1)C2	REAL300018711823	0	46	0.0	-54.08	362.43	6.19	-47.89
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C3N=CC(Br)=CN3N=C1)C2	REAL300018711824	0	45	0.0	-45.01	349.05	9.07	-35.94
CC(C)(C)C1=CC=C(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)O2)C=C1	REAL300018711825	0	62	0.0	-40.36	441.51	13.75	-26.61
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(F)=C1N)C2	REAL300018711826	0	45	0.0	-43.83	321.18	7.66	-36.17
CC1CC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CCN1CC1=CC=CC=C1	REAL300018711827	0	61	0.0	-39.20	407.88	10.39	-28.81
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C(F)F)C=C1)C2	REAL300018711828	0	46	0.0	-44.41	337.38	10.42	-33.99
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC(Cl)=CN=C3O1)C2	REAL300018711829	0	45	0.0	-44.02	344.56	7.50	-36.52
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=C1CCC3)C2	REAL300018711830	0	50	0.0	-38.69	348.57	11.45	-27.24
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC(Cl)=CS1)C2	REAL300018711831	0	39	0.0	-44.53	312.88	7.08	-37.45
COC1=NSC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711832	0	43	0.0	-44.90	322.23	5.55	-39.35
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C3C=CC(Br)=CN13)C2	REAL300018711833	0	46	0.0	-45.90	353.26	10.58	-35.32
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC=CC3=CC=CC=C31)C2	REAL300018711834	0	48	0.0	-38.43	343.79	9.90	-28.53
CCN(C1=CC=CC=C1)C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711835	0	61	0.0	-50.25	443.56	14.20	-36.05
CCN(CC)C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1F	REAL300018711836	0	57	0.0	-53.62	410.59	10.58	-43.04
COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C(SC)C=C1OC	REAL300018711837	0	55	0.0	-43.83	399.50	9.67	-34.16
CN(C)C1=CC=C(N2CCC([NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)CC2)C=C1	REAL300018711838	0	63	0.0	-47.40	427.41	10.20	-37.20
CC(CCC1=CC=CC=C1[N+](=O)[O-])[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711839	0	54	0.0	-54.84	385.94	12.02	-42.82
CC1CC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC(C2=CC=CC=C2)C1	REAL300018711840	0	59	0.0	-42.49	396.25	13.19	-29.30
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(C3CC3)O1)C2	REAL300018711841	0	46	0.0	-42.81	333.87	6.84	-35.97
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC3=CC=C(F)C=C3S1)C2	REAL300018711842	0	45	0.0	-44.27	343.21	9.05	-35.22
COC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC2=CC=CC=C21	REAL300018711843	0	53	0.0	-43.93	379.63	11.14	-32.79
CCOC1=CN=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711844	0	49	0.0	-44.88	351.32	7.94	-36.94
CCOC1=CC(F)=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711845	0	50	0.0	-50.27	368.59	9.74	-40.53
COC1=CC=C(C(C)C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711846	0	53	0.0	-49.55	376.02	10.09	-39.46
CN1N=C(C2CC2)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711847	0	50	0.0	-46.89	357.47	9.21	-37.68
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3(CCCCC3)CC1)C2	REAL300018711849	0	59	0.0	-40.15	369.03	11.33	-28.82
CC([NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C)C(C)C1=CC=CC=C1	REAL300018711850	0	52	0.0	-44.70	360.86	11.16	-33.54
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC3=C(C1)C1=CC=CC=C1N3)C2	REAL300018711851	0	51	0.0	-42.70	353.05	10.37	-32.33
COC1=CC=CC2=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=CC=C12	REAL300018711852	0	53	0.0	-49.34	378.68	10.99	-38.35
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=NN1CC1CC1)C2	REAL300018711853	0	50	0.0	-46.06	352.02	9.24	-36.82
CC(CCC1=CC=CN=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711854	0	51	0.0	-51.26	362.12	9.81	-41.45
CC(C)C1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711855	0	52	0.0	-36.95	362.92	11.43	-25.52
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(S(N)(=O)=O)O1)C2	REAL300018711856	0	45	0.0	-39.93	339.82	2.63	-37.30
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC=C(C3=CC=C(F)C=C3)CC1)C2	REAL300018711857	0	54	0.0	-40.36	379.34	12.40	-27.96
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3(CCOCC3)CC1)C2	REAL300018711858	0	57	0.0	-51.98	367.15	8.86	-43.12
COC1=CN=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1C	REAL300018711859	0	49	0.0	-44.08	343.67	7.70	-36.38
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CCC1=CC=C(F)C=C1Cl)C2	REAL300018711860	0	46	0.0	-38.07	346.86	10.80	-27.27
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CN=CC=C3O1)C2	REAL300018711861	0	45	0.0	-48.48	331.95	8.30	-40.18
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C(F)(F)F)S1)C2	REAL300018711862	0	43	0.0	-47.07	340.20	9.82	-37.25
CC1=C2C=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)NC2=CC=C1	REAL300018711863	0	50	0.0	-50.63	363.94	10.11	-40.52
CCOC1CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711864	0	53	0.0	-37.42	354.28	8.81	-28.61
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CSC(C(F)(F)F)=C1)C2	REAL300018711865	0	43	0.0	-36.21	333.33	9.65	-26.56
CCCOC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C)=C1	REAL300018711866	0	56	0.0	-42.47	393.39	11.10	-31.37
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OC1CC1	REAL300018711867	0	55	0.0	-46.48	394.49	10.43	-36.05
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3(CCCC3)CC1)C2	REAL300018711868	0	56	0.0	-37.20	361.78	11.06	-26.14
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C(F)F)N=C1)C2	REAL300018711869	0	45	0.0	-53.51	340.45	8.56	-44.95
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3=CC=CC=C3CC1)C2	REAL300018711870	0	53	0.0	-48.12	359.90	11.45	-36.67
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC=C(Br)S1)C2	REAL300018711871	0	39	0.0	-43.15	311.62	7.40	-35.75
CCC1(C)CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711872	0	55	0.0	-50.01	352.62	9.96	-40.05
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCCC3=CC=CC=C3C1)C2	REAL300018711873	0	53	0.0	-42.53	359.91	11.50	-31.03
CN1C=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C(F)F)=N1	REAL300018711874	0	46	0.0	-46.63	338.99	8.11	-38.52
CC([NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C)C1CCCCCC1	REAL300018711875	0	55	0.0	-37.75	349.50	10.61	-27.14
CC([NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C)C1=CC=C(C2=CC=CC=C2)C=N1	REAL300018711876	0	55	0.0	-38.61	384.96	11.86	-26.75
CCC1(CC)CCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711877	0	58	0.0	-36.96	367.38	10.85	-26.11
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=C1CCOC3)C2	REAL300018711878	0	51	0.0	-43.31	351.97	9.51	-33.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1CC1C1=CC=C(F)C=C1)C2	REAL300018711879	0	50	0.0	-49.66	366.08	11.68	-37.98
CC(CC1=COC2=CC=CC=C12)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711880	0	52	0.0	-44.73	363.02	11.23	-33.50
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(S(N)(=O)=O)=C1)C2	REAL300018711881	0	48	0.0	-40.76	356.96	4.45	-36.31
CCCN1N=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711882	0	49	0.0	-49.36	350.55	8.82	-40.54
CC1=CC=C2C=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)NC2=C1	REAL300018711883	0	50	0.0	-44.22	358.40	10.14	-34.08
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C3CCCN3N=C1)C2	REAL300018711884	0	47	0.0	-42.11	331.63	8.13	-33.98
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NN3CCCC3=C1)C2	REAL300018711885	0	47	0.0	-36.54	329.02	8.00	-28.54
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC=C(C(F)(F)F)S1)C2	REAL300018711886	0	42	0.0	-47.08	336.47	7.83	-39.25
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCCCC(C3=CC=CC=C3)C1)C2	REAL300018711887	0	59	0.0	-50.76	395.04	12.51	-38.25
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=CN=C3O1)C2	REAL300018711888	0	45	0.0	-48.29	331.99	6.99	-41.30
CC1=CC(C)=CC(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=C2)=C1	REAL300018711889	0	59	0.0	-43.09	422.21	14.28	-28.81
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1N1C=NC=N1	REAL300018711890	0	52	0.0	-44.77	371.68	13.12	-31.65
CCC1CCCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711891	0	55	0.0	-45.03	357.84	10.45	-34.58
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCCC(C)(C)CC1)C2	REAL300018711892	0	55	0.0	-42.51	340.14	10.02	-32.49
CC(C)(C)C1CCCC([NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)CC1	REAL300018711893	0	61	0.0	-42.98	386.77	11.34	-31.64
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC(F)=CC=C3O1)C2	REAL300018711894	0	46	0.0	-48.05	343.63	10.10	-37.95
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OCC(F)F)C=C1)C2	REAL300018711895	0	50	0.0	-52.43	374.89	10.04	-42.39
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=C(C=C1OC(F)F)OCO3)C2	REAL300018711896	0	50	0.0	-46.68	369.05	7.83	-38.85
COC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(Br)=C1	REAL300018711897	0	47	0.0	-43.00	350.92	9.37	-33.63
COCC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711898	0	50	0.0	-48.85	366.38	9.25	-39.60
CC1=NN(C2=CC=C(Cl)C=C2)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711899	0	53	0.0	-51.84	406.27	11.84	-40.00
CN(C)CC1=NC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CS1	REAL300018711900	0	50	0.0	-37.29	367.72	6.22	-31.07
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(SC3=CC=CC=C3)C=C1)C2	REAL300018711901	0	54	0.0	-51.70	411.75	13.58	-38.12
CCC(CC1=CC=C(OC)C(OC)=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711902	0	60	0.0	-37.19	408.84	10.46	-26.73
CC1=CC=C(CC[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711903	0	49	0.0	-47.52	353.43	10.95	-36.57
COC1=CC(C)=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OC	REAL300018711904	0	54	0.0	-44.43	379.24	9.28	-35.15
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC=C1C1CC1)C2	REAL300018711905	0	50	0.0	-44.57	352.37	11.50	-33.07
CC1=C(Br)C=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711906	0	43	0.0	-37.05	334.05	9.96	-27.09
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CCC1=CC=C(F)C=C1F)C2	REAL300018711907	0	46	0.0	-38.80	338.55	10.41	-28.39
CC1=CC(CC[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC(C)=C1	REAL300018711908	0	52	0.0	-47.39	374.83	11.60	-35.79
COC1=CC=C(CC(C)[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C)=C1OC	REAL300018711909	0	60	0.0	-35.80	413.79	10.72	-25.08
COC1=CC=C(N2C=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=N2)C=C1	REAL300018711910	0	54	0.0	-56.63	399.47	9.98	-46.65
CC(CCC1=CSC=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711911	0	49	0.0	-36.30	346.42	10.60	-25.70
COCCC1=CC=C(OCC(C)[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711912	0	60	0.0	-52.50	432.71	10.20	-42.30
CCC(CC1=CC=C(Br)C=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711913	0	52	0.0	-37.04	370.47	11.80	-25.24
CC1=NN(C2=CC=CC=C2Cl)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711914	0	53	0.0	-52.51	401.84	12.01	-40.50
CN(CC1=CC=CS1)C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1	REAL300018711915	0	58	0.0	-41.35	425.16	12.91	-28.44
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCCC(C3=CC=C(Cl)C=C3)C1)C2	REAL300018711916	0	56	0.0	-40.92	397.85	12.89	-28.03
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(C3=CC=CC=N3)=NN1)C2	REAL300018711917	0	49	0.0	-49.40	361.32	7.77	-41.63
CC(CC1=CN(C)N=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711918	0	49	0.0	-40.15	343.08	8.59	-31.56
CN1N=CC2=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=CN=C21	REAL300018711919	0	48	0.0	-49.74	349.35	8.67	-41.07
CC(CCC1=CC=C(F)C=C1F)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711920	0	52	0.0	-39.09	373.80	11.78	-27.31
CSC1=CC(Br)=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711921	0	47	0.0	-42.15	362.16	11.07	-31.08
CCC(CC1=CC=C(C(F)(F)F)C=C1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711922	0	55	0.0	-38.95	387.91	12.17	-26.78
COCC(CC1CCOCC1)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711923	0	57	0.0	-41.57	378.89	7.36	-34.21
CN1C=C(CCC[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=N1	REAL300018711924	0	49	0.0	-53.46	356.33	8.85	-44.61
CN1CCN(C2=NC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=N2)CC1	REAL300018711925	0	58	0.0	-48.34	408.54	7.84	-40.50
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC=C(C3=CC=C(Cl)C=C3)CC1)C2	REAL300018711926	0	54	0.0	-39.62	389.65	12.85	-26.77
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=C(C3CC3)N(C3=CC=CC=C3)N=N1)C2	REAL300018711927	0	56	0.0	-56.13	412.26	11.10	-45.03
CN1C2=CC=C(C(F)(F)F)C=C2N=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711928	0	52	0.0	-46.61	395.18	10.87	-35.74
CC1CCC2=C(C1)SC(C[NH2+]C1CC3CCC1(C(=O)[O-])C3(C)C)=N2	REAL300018711929	0	52	0.0	-41.96	374.45	9.89	-32.07
CCC1=CN=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)S1	REAL300018711930	0	45	0.0	-41.71	333.32	8.25	-33.46
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3COCCC3C1)C2	REAL300018711931	0	54	0.0	-39.73	356.61	8.84	-30.89
CC1(C)CC2(CC([NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C2)CO1	REAL300018711932	0	54	0.0	-46.46	371.92	9.00	-37.46
CC1CC2(CC([NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C2)CO1	REAL300018711933	0	51	0.0	-46.61	350.92	8.19	-38.42
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCOC3=CC=CC=C3C1)C2	REAL300018711934	0	51	0.0	-37.57	348.64	9.81	-27.76
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCCC3=C(C=CS3)C1)C2	REAL300018711935	0	50	0.0	-34.79	347.89	10.76	-24.03
CN1C=NC2=CC=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=C21	REAL300018711936	0	49	0.0	-46.83	344.40	10.80	-36.03
COC1=CC=C(C)C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711937	0	50	0.0	-40.22	345.44	9.38	-30.84
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NOC(C3CCC3)=C1)C2	REAL300018711938	0	49	0.0	-32.48	347.64	9.74	-22.74
CC1(C2=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=NO2)CC1	REAL300018711939	0	49	0.0	-38.35	352.71	9.69	-28.66
CCC1=CC=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711940	0	49	0.0	-39.39	338.57	10.81	-28.58
CC1=CC(F)=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711941	0	46	0.0	-48.12	338.64	10.18	-37.94
CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C)=C1C	REAL300018711942	0	52	0.0	-39.26	354.70	11.25	-28.01
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C3CCCCCN13)C2	REAL300018711943	0	53	0.0	-42.58	358.53	9.89	-32.69
COC1=CC=C2SC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=CC2=C1	REAL300018711944	0	50	0.0	-38.02	369.41	10.31	-27.71
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC(C3=CC=CC=C3)=NO1)C2	REAL300018711945	0	49	0.0	-46.22	360.10	10.69	-35.53
CCN1CCC2=CC(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)=CC=C21	REAL300018711946	0	55	0.0	-48.38	390.31	10.10	-38.28
CC1(C)CC2(CO1)CCC([NH2+]C1CC3CCC1(C(=O)[O-])C3(C)C)CC2	REAL300018711947	0	60	0.0	-39.02	388.99	9.72	-29.30
CSC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1Cl	REAL300018711948	0	47	0.0	-54.31	366.54	10.99	-43.32
CC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1C1CC1	REAL300018711949	0	53	0.0	-46.96	377.74	12.15	-34.81
COC1=CC=CC2=C1CCCC([NH2+]C1CC3CCC1(C(=O)[O-])C3(C)C)C2	REAL300018711950	0	57	0.0	-42.22	384.91	10.95	-31.27
CCOC1=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=N1	REAL300018711951	0	49	0.0	-50.21	360.26	7.18	-43.03
CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1C1CC1	REAL300018711952	0	53	0.0	-36.99	369.12	12.13	-24.86
CC1=NN(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C(C)=C2)C=C1	REAL300018711953	0	56	0.0	-49.88	400.26	11.93	-37.95
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C(F)(F)C(F)(F)F)C=C1)C2	REAL300018711954	0	49	0.0	-45.17	376.38	11.42	-33.75
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711955	0	53	0.0	-48.54	396.01	11.79	-36.75
CC1=NN(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=C2)C=C1Cl	REAL300018711956	0	53	0.0	-52.83	407.43	11.78	-41.05
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=C(C3CCOCC3)O1)C2	REAL300018711957	0	53	0.0	-44.48	377.42	5.99	-38.49
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NOC(C3CC3)=C1)C2	REAL300018711958	0	46	0.0	-38.52	333.72	9.26	-29.26
CC1OC2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=C2C1C	REAL300018711959	0	54	0.0	-49.66	388.67	10.69	-38.97
CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1OC(F)F	REAL300018711960	0	50	0.0	-44.79	364.34	9.86	-34.93
CC(C)C1=CC=C(O)C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711961	0	53	0.0	-39.92	373.95	8.74	-31.18
CC1=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)NN=C1C(F)(F)F	REAL300018711962	0	46	0.0	-47.32	338.93	7.47	-39.85
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3(CCC3)CC1)C2	REAL300018711963	0	53	0.0	-37.27	347.81	10.56	-26.71
CC1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=C1O	REAL300018711964	0	47	0.0	-48.10	342.41	7.43	-40.67
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC(C3CC3)=CS1)C2	REAL300018711965	0	46	0.0	-42.80	338.32	8.72	-34.08
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN(CC3CC3)N=N1)C2	REAL300018711966	0	49	0.0	-45.41	358.87	8.41	-37.00
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3CCOC3=C1)C2	REAL300018711967	0	48	0.0	-51.85	347.09	9.34	-42.51
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NC3=C(CCCC3)N1)C2	REAL300018711968	0	50	0.0	-43.61	352.29	8.58	-35.03
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C3COCCC3=C1)C2	REAL300018711969	0	51	0.0	-42.11	358.71	9.64	-32.47
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN=CC(C3=CC=CN=C3)=C1)C2	REAL300018711970	0	51	0.0	-54.37	375.61	9.38	-44.99
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(COCC3=CC=CC=C3)C1)C2	REAL300018711971	0	57	0.0	-45.74	409.73	11.24	-34.50
CSC1=CC=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711972	0	47	0.0	-39.85	345.35	10.54	-29.31
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CCC3=CC(Cl)=CC=C3C1)C2	REAL300018711973	0	50	0.0	-39.91	359.10	11.60	-28.31
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC(C3=CC=CC=C3Br)C1)C2	REAL300018711974	0	50	0.0	-44.27	363.31	11.73	-32.54
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(CC3CC3)S1)C2	REAL300018711975	0	50	0.0	-37.58	370.34	11.78	-25.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OC3CC3)C=C1)C2	REAL300018711976	0	51	0.0	-50.72	371.91	10.45	-40.27
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(OC(F)(F)F)C=C1F)C2	REAL300018711977	0	47	0.0	-48.66	356.71	9.34	-39.32
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(C(F)(F)C(F)(F)F)=C1)C2	REAL300018711978	0	49	0.0	-46.26	376.35	11.41	-34.85
CC1=NC=CN1C1=CC=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C(C)=C1	REAL300018711979	0	56	0.0	-48.37	400.35	12.55	-35.82
CC1=C(C)N(C2=CC=C(C[NH2+]C3CC4CCC3(C(=O)[O-])C4(C)C)C=C2)C=N1	REAL300018711980	0	56	0.0	-56.13	412.01	13.22	-42.91
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=C(C3CC3)C(C3CC3)=C1)C2	REAL300018711981	0	57	0.0	-40.70	399.99	13.56	-27.14
CC1=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)OC2=CC=C(F)C=C12	REAL300018711983	0	49	0.0	-42.19	359.86	10.75	-31.44
CC(CC1=CC=C(Cl)C=C1F)[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711984	0	49	0.0	-38.89	358.29	11.26	-27.63
CN1N=C(C2=CC=CC=C2)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711985	0	53	0.0	-47.43	384.98	10.77	-36.66
CCCN1C=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300018711986	0	49	0.0	-42.19	355.23	8.85	-33.34
CC(C)N1C=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=N1	REAL300018711987	0	49	0.0	-41.95	352.42	8.60	-33.35
CC(C)(C)C1=CN=CC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=C1	REAL300018711988	0	54	0.0	-42.15	376.44	10.03	-32.12
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=NN(CC(F)(F)F)C=C1)C2	REAL300018711989	0	46	0.0	-45.30	351.61	8.59	-36.71
CN1C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=NC2=C1CCCC2	REAL300018711990	0	53	0.0	-42.02	372.91	10.19	-31.83
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=CC=CC=C3C=N1)C2	REAL300018711991	0	48	0.0	-50.48	352.27	9.95	-40.53
COC1=NC(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)=CC=C1C	REAL300018711992	0	49	0.0	-39.03	352.45	6.92	-32.11
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC(C(F)F)=C1F)C2	REAL300018711993	0	46	0.0	-54.96	345.18	10.38	-44.58
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC=CC3=C1COCC3)C2	REAL300018711994	0	51	0.0	-42.63	351.86	9.53	-33.10
CCOC1=CC=C(Cl)C=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711995	0	50	0.0	-39.58	371.87	10.34	-29.24
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CC3=C(CCCC3)O1)C2	REAL300018711996	0	50	0.0	-43.71	353.62	10.34	-33.37
CCC(C)N1N=CC=C1C[NH2+]C1CC2CCC1(C(=O)[O-])C2(C)C	REAL300018711997	0	52	0.0	-49.08	372.41	9.28	-39.80
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]CC1=CN(C3CCCCC3)N=C1)C2	REAL300018711998	0	56	0.0	-41.83	389.78	10.57	-31.26
CC1(C)C2CCC1(C(=O)[O-])C([NH2+]C1CC3CCCCC3C1)C2	REAL300018711999	0	53	0.0	-45.61	344.25	10.26	-35.35
COC1=C(C[NH2+]C2CC3CCC2(C(=O)[O-])C3(C)C)C=CC=C1C(C)(C)C	REAL300018712000	0	59	0.0	-39.83	396.20	11.43	-28.40
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300019186849	1	41	0.0	-41.94	340.68	10.81	-31.13
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC(OC2=CC=C(F)C=C2)=C1	REAL300019186849	1	41	0.0	-40.22	339.47	10.77	-29.45
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC=C1N1CCCCC1	REAL300019186853	1	45	0.0	-35.20	340.88	10.52	-24.68
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC=C1N1CCCCC1	REAL300019186853	1	45	0.0	-39.40	345.04	10.34	-29.06
CC(C)(C)OC(=O)NCC1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186858	1	50	0.0	-45.60	392.26	8.30	-37.30
CC(C)(C)OC(=O)NCC1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186858	1	50	0.0	-43.12	399.08	8.74	-34.38
CC1=CC=C(C2=CC=CC=C2C[N@H+](CCC#N)CC(=O)[O-])C(C)=C1	REAL300019186859	0	46	0.0	-31.96	360.73	12.62	-19.34
CC1=CC=C(C2=CC=CC=C2C[N@@H+](CCC#N)CC(=O)[O-])C(C)=C1	REAL300019186859	1	46	0.0	-35.41	355.84	12.49	-22.92
CC1=CN2C(=NC(C3=CC=C(F)C=C3)=C2C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186861	1	46	0.0	-53.57	381.02	12.67	-40.90
CC1=CN2C(=NC(C3=CC=C(F)C=C3)=C2C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186861	1	46	0.0	-36.09	372.90	12.37	-23.72
CC(C)(C[N@H+](CCC#N)CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300019186865	0	39	0.0	-42.84	312.39	10.07	-32.77
CC(C)(C[N@@H+](CCC#N)CC(=O)[O-])C1=CC=C(Br)C=C1	REAL300019186865	1	39	0.0	-41.20	314.97	10.38	-30.82
CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+](CCC#N)CC(=O)[O-]	REAL300019186867	1	47	0.0	-44.08	347.44	7.76	-36.32
CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+](CCC#N)CC(=O)[O-]	REAL300019186867	1	47	0.0	-49.86	354.08	8.25	-41.61
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC=C1N1CCOCC1	REAL300019186870	1	43	0.0	-37.51	327.60	7.47	-30.04
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC=C1N1CCOCC1	REAL300019186870	1	43	0.0	-36.34	329.95	7.56	-28.78
CC(C)(C)OC(=O)N1CCC(CC[N@H+](CCC#N)CC(=O)[O-])CC1	REAL300019186872	0	53	0.0	-46.55	391.20	9.55	-37.00
CC(C)(C)OC(=O)N1CCC(CC[N@@H+](CCC#N)CC(=O)[O-])CC1	REAL300019186872	1	53	0.0	-46.03	396.94	9.97	-36.06
CC1=CC=CC=C1C1=CC=CC(C[N@H+](CCC#N)CC(=O)[O-])=C1	REAL300019186875	1	43	0.0	-46.04	347.95	12.41	-33.63
CC1=CC=CC=C1C1=CC=CC(C[N@@H+](CCC#N)CC(=O)[O-])=C1	REAL300019186875	1	43	0.0	-40.73	341.03	11.95	-28.78
CC1(C)CCC2=CC(C[N@H+](CCC#N)CC(=O)[O-])=CC=C2O1	REAL300019186877	1	44	0.0	-44.06	334.85	9.65	-34.41
CC1(C)CCC2=CC(C[N@@H+](CCC#N)CC(=O)[O-])=CC=C2O1	REAL300019186877	1	44	0.0	-39.57	341.76	10.11	-29.46
CC1=CC(C[N@H+](CCC#N)CC(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300019186879	1	43	0.0	-43.65	348.21	9.64	-34.01
CC1=CC(C[N@@H+](CCC#N)CC(=O)[O-])=CC=C1OC1=CC=CN=C1	REAL300019186879	1	43	0.0	-42.94	355.41	10.08	-32.86
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300019186880	1	45	0.0	-42.96	380.10	11.98	-30.98
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC(OCC2=CC=CC=C2C#N)=C1	REAL300019186880	1	45	0.0	-45.72	372.48	11.54	-34.18
COC(=O)C1=CC2=C(N1)SC(C[N@H+](CCC#N)CC(=O)[O-])=C2	REAL300019186891	0	37	0.0	-45.71	323.71	7.69	-38.02
COC(=O)C1=CC2=C(N1)SC(C[N@@H+](CCC#N)CC(=O)[O-])=C2	REAL300019186891	1	37	0.0	-42.22	329.86	8.11	-34.11
COC1=CC=C2SC(C[N@H+](CCC#N)CC(=O)[O-])=CC2=C1	REAL300019186897	1	37	0.0	-44.24	312.16	8.73	-35.51
COC1=CC=C2SC(C[N@@H+](CCC#N)CC(=O)[O-])=CC2=C1	REAL300019186897	1	37	0.0	-42.41	313.00	8.75	-33.66
CC1=NN(C2=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C2)C=C1Cl	REAL300019186899	1	40	0.0	-43.76	341.23	10.11	-33.65
CC1=NN(C2=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C2)C=C1Cl	REAL300019186899	1	40	0.0	-45.60	348.07	10.57	-35.03
CCN(CC)C(=O)C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186900	1	46	0.0	-44.87	356.41	9.60	-35.27
CCN(CC)C(=O)C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186900	1	46	0.0	-55.85	352.74	9.41	-46.44
CCN(C)C(=O)C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186901	1	43	0.0	-54.08	338.14	8.73	-45.35
CCN(C)C(=O)C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186901	1	43	0.0	-53.81	339.57	8.75	-45.06
CC1=NN(C2=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C(C)=C2)C=C1	REAL300019186902	1	43	0.0	-42.59	341.56	10.31	-32.28
CC1=NN(C2=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C(C)=C2)C=C1	REAL300019186902	1	43	0.0	-44.19	342.48	10.58	-33.61
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300019186903	1	36	0.0	-45.23	315.90	9.75	-35.48
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)C(F)(F)F)C=C1	REAL300019186903	1	36	0.0	-51.47	321.80	10.15	-41.32
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[N@H+](CCC#N)CC(=O)[O-]	REAL300019186904	1	40	0.0	-42.42	337.17	10.17	-32.25
CC1=CC(N2C=C(Cl)C=N2)=CC=C1C[N@@H+](CCC#N)CC(=O)[O-]	REAL300019186904	1	40	0.0	-42.76	337.68	10.50	-32.26
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC=C1C1=CC=CC=C1Cl	REAL300019186905	0	40	0.0	-35.28	332.44	11.83	-23.45
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC=C1C1=CC=CC=C1Cl	REAL300019186905	1	40	0.0	-35.19	332.73	11.65	-23.54
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300019186912	1	47	0.0	-49.15	365.56	10.21	-38.94
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(C(=O)N2CCCCC2)C=C1	REAL300019186912	1	47	0.0	-52.82	357.65	9.72	-43.10
N#CCC[N@@H+](CC(=O)[O-])CC1=CNN=C1C1=CC=C(Cl)O1	REAL300019186914	1	34	0.0	-41.80	302.59	7.63	-34.17
N#CCC[N@H+](CC(=O)[O-])CC1=CNN=C1C1=CC=C(Cl)O1	REAL300019186914	1	34	0.0	-45.45	308.33	7.19	-38.26
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300019186916	1	36	0.0	-43.46	322.54	10.16	-33.30
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC(C(F)(F)C(F)(F)F)=C1	REAL300019186916	1	36	0.0	-50.97	321.70	10.14	-40.83
CC1=NC=CN1C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C(C)=C1	REAL300019186917	1	43	0.0	-46.34	341.49	10.95	-35.39
CC1=NC=CN1C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C(C)=C1	REAL300019186917	1	43	0.0	-43.39	341.90	11.27	-32.12
CC1=C(C)N(C2=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C2)C=N1	REAL300019186918	1	43	0.0	-47.99	341.97	11.44	-36.55
CC1=C(C)N(C2=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C2)C=N1	REAL300019186918	1	43	0.0	-45.89	352.01	12.02	-33.87
CN1C=C(C[N@H+](CCC#N)CC(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300019186919	1	40	0.0	-54.69	338.07	9.50	-45.19
CN1C=C(C[N@@H+](CCC#N)CC(=O)[O-])C(C2=CC=CC(F)=C2)=N1	REAL300019186919	1	40	0.0	-46.56	334.19	9.46	-37.10
COC(=O)C1=CC=C(COC2=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C2)O1	REAL300019186920	1	47	0.0	-54.30	399.48	10.46	-43.84
COC(=O)C1=CC=C(COC2=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C2)O1	REAL300019186920	1	47	0.0	-51.85	393.55	10.05	-41.80
CC1=CC=CC(COC2=C(C)C=C(C[N@H+](CCC#N)CC(=O)[O-])C=C2C)=C1	REAL300019186926	1	53	0.0	-49.96	427.36	13.84	-36.12
CC1=CC=CC(COC2=C(C)C=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C2C)=C1	REAL300019186926	1	53	0.0	-44.64	421.54	13.44	-31.20
CC1=CC(C[N@H+](CCC#N)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300019186927	1	50	0.0	-48.86	419.12	13.77	-35.09
CC1=CC(C[N@@H+](CCC#N)CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=C1Cl	REAL300019186927	1	50	0.0	-44.18	413.29	13.37	-30.81
CC1=CC=CC=C1COC1=C(C)C=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1C	REAL300019186928	1	53	0.0	-49.94	422.14	13.87	-36.07
CC1=CC=CC=C1COC1=C(C)C=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1C	REAL300019186928	1	53	0.0	-40.52	420.56	13.79	-26.73
CCN(C1=CC=CC=C1)C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186936	1	48	0.0	-47.87	385.57	13.06	-34.81
CCN(C1=CC=CC=C1)C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186936	1	48	0.0	-40.95	384.23	13.00	-27.95
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300019186938	1	50	0.0	-39.34	405.55	13.12	-26.22
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC(OCCCC2=CC=CC=C2)=C1	REAL300019186938	1	50	0.0	-47.27	397.98	12.67	-34.60
CCN(CC)C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1F	REAL300019186939	1	44	0.0	-47.70	343.19	8.88	-38.82
CCN(CC)C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1F	REAL300019186939	1	44	0.0	-43.46	351.64	9.46	-34.00
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300019186946	1	39	0.0	-43.92	332.53	6.77	-37.15
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(OC2=CN=CC=N2)C=C1	REAL300019186946	1	39	0.0	-46.07	324.13	6.35	-39.72
COC1=CC=CC=C1C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186951	1	44	0.0	-49.22	358.91	11.33	-37.89
COC1=CC=CC=C1C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019186951	1	44	0.0	-40.60	359.56	11.35	-29.25
CC1=CC(C2=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C2)=CC(C)=C1	REAL300019186953	1	46	0.0	-48.53	367.52	13.00	-35.53
CC1=CC(C2=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C2)=CC(C)=C1	REAL300019186953	1	46	0.0	-44.61	361.68	12.60	-32.01
CC1=CC(C[N@H+](CCC#N)CC(=O)[O-])=CC=C1Br	REAL300019186959	1	33	0.0	-42.24	283.23	9.03	-33.21
CC1=CC(C[N@@H+](CCC#N)CC(=O)[O-])=CC=C1Br	REAL300019186959	1	33	0.0	-39.85	290.80	9.48	-30.37
COC(=O)C1=CC2=C(C[N@H+](CCC#N)CC(=O)[O-])C=CC(OC)=C2O1	REAL300019186961	1	43	0.0	-41.89	359.75	8.33	-33.56
COC(=O)C1=CC2=C(C[N@@H+](CCC#N)CC(=O)[O-])C=CC(OC)=C2O1	REAL300019186961	1	43	0.0	-48.78	361.78	8.66	-40.12
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(Cl)C2=CC=CN=C12	REAL300019186962	1	35	0.0	-40.79	305.03	9.39	-31.40
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(Cl)C2=CC=CN=C12	REAL300019186962	1	35	0.0	-43.99	305.95	9.26	-34.73
CN(C1=CC=CC=C1CN(CCC#N)CC(=O)[O-])C1CC[NH+](C)CC1	REAL300019186969	0	53	0.0	-48.86	399.59	9.46	-39.40
CC1=CC(Br)=CC=C1C[N@H+](CCC#N)CC(=O)[O-]	REAL300019186971	1	33	0.0	-40.54	282.54	9.15	-31.39
CC1=CC(Br)=CC=C1C[N@@H+](CCC#N)CC(=O)[O-]	REAL300019186971	1	33	0.0	-37.77	283.53	9.40	-28.37
CC(C)(C)OC(=O)N1CCC(C[N@H+](CCC#N)CC(=O)[O-])CC1	REAL300019186975	0	50	0.0	-49.88	374.97	9.35	-40.53
CC(C)(C)OC(=O)N1CCC(C[N@@H+](CCC#N)CC(=O)[O-])CC1	REAL300019186975	1	50	0.0	-43.63	369.51	9.17	-34.46
C[NH+]1CCN(C2=NC=C(CN(CCC#N)CC(=O)[O-])C=N2)CC1	REAL300019186976	1	45	0.0	-66.56	350.21	6.28	-60.28
N#CCC[N@@H+](CC(=O)[O-])CC1=CNN=C1C1=C(F)C=CC=C1F	REAL300019186977	1	37	0.0	-41.29	317.37	8.11	-33.18
N#CCC[N@H+](CC(=O)[O-])CC1=CNN=C1C1=C(F)C=CC=C1F	REAL300019186977	1	37	0.0	-36.40	315.18	7.82	-28.58
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(Br)C(Br)=C1	REAL300019186978	1	30	0.0	-39.97	291.56	9.46	-30.51
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(Br)C(Br)=C1	REAL300019186978	1	30	0.0	-46.47	283.98	9.00	-37.47
N#CCC[N@@H+](CC(=O)[O-])CC1=CC(Cl)=CC2=CC=CN=C21	REAL300019186983	1	35	0.0	-38.74	307.28	9.47	-29.27
N#CCC[N@H+](CC(=O)[O-])CC1=CC(Cl)=CC2=CC=CN=C21	REAL300019186983	1	35	0.0	-36.09	302.80	8.93	-27.16
N#CCC[N@@H+](CC(=O)[O-])CC1=CNN=C1C1=CC=CC=C1F	REAL300019186984	1	37	0.0	-49.24	305.04	8.11	-41.13
N#CCC[N@H+](CC(=O)[O-])CC1=CNN=C1C1=CC=CC=C1F	REAL300019186984	1	37	0.0	-54.62	314.49	8.20	-46.42
N#CCC[N@@H+](CC(=O)[O-])CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300019186985	1	37	0.0	-45.65	321.49	8.60	-37.05
N#CCC[N@H+](CC(=O)[O-])CC1=CNN=C1C1=CC=CC(Cl)=C1	REAL300019186985	1	37	0.0	-36.73	320.13	8.30	-28.43
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300019186994	1	44	0.0	-40.03	368.98	11.64	-28.39
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC(OCC2=CC=C(F)C=C2)=C1	REAL300019186994	1	44	0.0	-47.56	361.40	11.19	-36.37
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300019186995	1	41	0.0	-41.55	351.76	12.39	-29.16
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(SC2=CC=CC=C2)C=C1	REAL300019186995	1	41	0.0	-44.74	344.10	11.93	-32.81
N#CCC[N@@H+](CC(=O)[O-])CC1=NC=CC2=CC(Cl)=CC=C21	REAL300019187125	1	35	0.0	-36.16	292.69	8.40	-27.76
N#CCC[N@H+](CC(=O)[O-])CC1=NC=CC2=CC(Cl)=CC=C21	REAL300019187125	1	35	0.0	-48.77	306.13	9.37	-39.40
CC(C)N(C)C1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C(O)=C1	REAL300019187132	0	45	0.0	-44.54	350.19	7.37	-37.17
CC(C)N(C)C1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C(O)=C1	REAL300019187132	1	45	0.0	-40.44	348.57	7.54	-32.90
N#CCC[N@@H+](CC(=O)[O-])CC1=CC(Br)=CC2=CC=CN=C21	REAL300019187135	1	35	0.0	-38.45	311.83	9.57	-28.88
N#CCC[N@H+](CC(=O)[O-])CC1=CC(Br)=CC2=CC=CN=C21	REAL300019187135	1	35	0.0	-36.16	307.37	9.04	-27.12
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019187137	1	45	0.0	-45.22	355.17	7.73	-37.49
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(C(=O)N2CCOCC2)C=C1	REAL300019187137	1	45	0.0	-45.81	348.13	7.26	-38.55
CC1=CC=C(Br)C=C1C[N@H+](CCC#N)CC(=O)[O-]	REAL300019187143	1	33	0.0	-43.38	283.03	9.09	-34.29
CC1=CC=C(Br)C=C1C[N@@H+](CCC#N)CC(=O)[O-]	REAL300019187143	1	33	0.0	-35.73	283.41	9.40	-26.33
COC1=NC2=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C2S1	REAL300019187144	1	36	0.0	-47.06	308.65	5.66	-41.40
COC1=NC2=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C2S1	REAL300019187144	1	36	0.0	-48.51	309.16	5.69	-42.82
CC(C)(C)COC1=CC=CC(C[N@H+](CCC#N)CC(=O)[O-])=C1	REAL300019187146	1	46	0.0	-45.02	355.52	10.17	-34.85
CC(C)(C)COC1=CC=CC(C[N@@H+](CCC#N)CC(=O)[O-])=C1	REAL300019187146	1	46	0.0	-37.44	363.09	10.62	-26.82
CC(C)(C)OC(=O)N1CCC2=CC(C[N@H+](CCC#N)CC(=O)[O-])=CC=C2C1	REAL300019187152	1	54	0.0	-44.45	410.17	11.02	-33.43
CC(C)(C)OC(=O)N1CCC2=CC(C[N@@H+](CCC#N)CC(=O)[O-])=CC=C2C1	REAL300019187152	1	54	0.0	-43.47	417.23	11.47	-32.00
CC1=CC(Br)=CC(C)=C1C[N@H+](CCC#N)CC(=O)[O-]	REAL300019187153	1	36	0.0	-46.48	299.34	9.70	-36.78
CC1=CC(Br)=CC(C)=C1C[N@@H+](CCC#N)CC(=O)[O-]	REAL300019187153	1	36	0.0	-36.44	296.10	9.69	-26.75
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1O	REAL300019187154	1	34	0.0	-51.07	300.29	6.55	-44.52
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(C(F)(F)F)C=C1O	REAL300019187154	1	34	0.0	-40.18	299.38	6.62	-33.56
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(C2CCCCC2)C=C1	REAL300019187155	1	46	0.0	-37.93	353.03	12.09	-25.84
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(C2CCCCC2)C=C1	REAL300019187155	1	46	0.0	-40.77	346.13	11.64	-29.13
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300019187158	1	43	0.0	-39.83	353.97	12.75	-27.08
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(CC2=CC=CC=C2)C=C1	REAL300019187158	1	43	0.0	-42.69	347.06	12.29	-30.40
CCCCC(=O)NC1=CC=C(C[N@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019187160	1	46	0.0	-44.12	362.97	9.09	-35.03
CCCCC(=O)NC1=CC=C(C[N@@H+](CCC#N)CC(=O)[O-])C=C1	REAL300019187160	1	46	0.0	-47.31	370.85	9.53	-37.78
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019187171	1	40	0.0	-45.72	334.32	10.72	-35.00
N#CCC[N@H+](CC(=O)[O-])CC1=CC=CC(C2CC(F)(F)C2(F)F)=C1	REAL300019187171	1	40	0.0	-52.52	339.14	11.10	-41.42
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[N@H+](CCC#N)CC(=O)[O-])=C1	REAL300019187172	1	52	0.0	-45.26	402.58	12.74	-32.52
CC(C)(C)[Si](C)(C)OC1=CC=CC(C[N@@H+](CCC#N)CC(=O)[O-])=C1	REAL300019187172	1	52	0.0	-38.59	410.23	13.21	-25.38
CC1=CC=CC(C[N@H+](CCC#N)CC(=O)[O-])=C1C(F)(F)F	REAL300019187175	1	36	0.0	-39.08	291.67	9.65	-29.43
CC1=CC=CC(C[N@@H+](CCC#N)CC(=O)[O-])=C1C(F)(F)F	REAL300019187175	1	36	0.0	-39.19	289.53	9.56	-29.63
N#CCC[N@@H+](CC(=O)[O-])CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300019187178	1	35	0.0	-44.25	315.03	8.67	-35.58
N#CCC[N@H+](CC(=O)[O-])CC1=C2SC(C(F)F)=NC2=CC=C1	REAL300019187178	1	35	0.0	-51.26	316.75	8.67	-42.59
N#CCC[N@@H+](CC(=O)[O-])CC1=CC2=CC(Br)=CC=C2S1	REAL300019187181	1	33	0.0	-37.82	310.09	10.47	-27.35
N#CCC[N@H+](CC(=O)[O-])CC1=CC2=CC(Br)=CC=C2S1	REAL300019187181	1	33	0.0	-43.64	303.88	10.05	-33.59
N#CCC[N@@H+](CC(=O)[O-])CC1=CC2=CC=CC=C2C(Br)=C1	REAL300019187190	1	36	0.0	-39.14	315.76	11.07	-28.07
N#CCC[N@H+](CC(=O)[O-])CC1=CC2=CC=CC=C2C(Br)=C1	REAL300019187190	1	36	0.0	-40.35	307.88	10.60	-29.75
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(N2CCC(O)C2)C=C1	REAL300019187191	1	43	0.0	-48.68	335.89	5.25	-43.43
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(N2CCC(O)C2)C=C1	REAL300019187191	1	43	0.0	-40.48	340.32	5.42	-35.06
N#CCC[N@@H+](CC(=O)[O-])CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300019187192	1	40	0.0	-43.83	356.65	10.55	-33.28
N#CCC[N@H+](CC(=O)[O-])CC1=CC=C(CN2C=C(Br)C=N2)C=C1	REAL300019187192	1	40	0.0	-44.31	349.83	10.11	-34.20
CC1=CC(OCC2=CC=CC=C2)=CC(O)=C1C[N@H+](CCC#N)CC(=O)[O-]	REAL300019187199	0	48	0.0	-37.73	373.99	8.61	-29.12
CC1=CC(OCC2=CC=CC=C2)=CC(O)=C1C[N@@H+](CCC#N)CC(=O)[O-]	REAL300019187199	1	48	0.0	-42.98	377.91	9.14	-33.84
COC1=CC2=C(C(C)[N@H+](CCC#N)CC(=O)[O-])N=CC=C2C=C1	REAL300019187200	1	42	0.0	-37.16	329.93	8.19	-28.97
COC1=CC2=C(C(C)[N@@H+](CCC#N)CC(=O)[O-])N=CC=C2C=C1	REAL300019187200	1	42	0.0	-37.66	329.76	8.10	-29.56
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C2OCCOC2=C1	REAL300019187202	0	43	0.0	-46.00	327.55	8.81	-37.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C2OCCOC2=C1	REAL300019187202	1	43	0.0	-45.99	336.04	9.27	-36.72
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(Br)=C1	REAL300019187203	0	37	0.0	-44.30	304.29	10.28	-34.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(Br)=C1	REAL300019187203	1	37	0.0	-44.20	310.93	10.63	-33.57
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187204	0	45	0.0	-47.88	348.38	9.22	-38.66
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187204	1	45	0.0	-47.51	341.76	8.87	-38.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1C(F)(F)F	REAL300019187205	0	40	0.0	-37.14	304.59	10.50	-26.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1C(F)(F)F	REAL300019187205	1	40	0.0	-45.63	317.49	10.91	-34.72
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187206	0	43	0.0	-50.26	346.32	10.77	-39.49
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187206	1	43	0.0	-50.69	337.84	10.33	-40.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300019187207	0	44	0.0	-44.95	353.22	11.77	-33.18
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(F)C=C2)O1	REAL300019187207	1	44	0.0	-47.03	358.79	12.12	-34.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)O1	REAL300019187208	0	34	0.0	-43.31	288.70	8.67	-34.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)O1	REAL300019187208	1	34	0.0	-45.81	294.63	9.03	-36.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CS1	REAL300019187209	0	34	0.0	-43.08	296.15	9.45	-33.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CS1	REAL300019187209	1	34	0.0	-43.17	303.80	9.88	-33.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300019187210	0	43	0.0	-43.28	356.37	10.77	-32.51
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC(C2=CC=C(F)C=C2)=N1	REAL300019187210	1	43	0.0	-46.09	363.01	10.96	-35.13
COC(=O)C1=C(C)OC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187211	0	43	0.0	-47.86	347.89	9.68	-38.18
COC(=O)C1=C(C)OC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187211	1	43	0.0	-47.00	342.27	9.42	-37.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300019187212	0	40	0.0	-31.07	329.82	10.94	-20.13
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(C(F)(F)F)=CC=C1Cl	REAL300019187212	1	40	0.0	-42.92	343.26	11.61	-31.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300019187213	0	40	0.0	-50.54	327.32	10.71	-39.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C(C(F)(F)F)=C1	REAL300019187213	1	40	0.0	-50.27	335.86	11.17	-39.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C=C1C(F)(F)F	REAL300019187214	0	40	0.0	-45.11	318.62	10.71	-34.40
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C=C1C(F)(F)F	REAL300019187214	1	40	0.0	-35.20	321.49	10.94	-24.26
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300019187215	0	40	0.0	-48.45	328.13	10.71	-37.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC(C(F)(F)F)=C1	REAL300019187215	1	40	0.0	-49.12	335.10	11.10	-38.02
COC(=O)C1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CN1C	REAL300019187216	0	44	0.0	-52.00	350.69	10.25	-41.75
COC(=O)C1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CN1C	REAL300019187216	1	44	0.0	-50.79	343.94	9.86	-40.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300019187217	0	58	0.0	-56.09	435.72	12.73	-43.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CCN(C(=O)OCC2=CC=CC=C2)CC1	REAL300019187217	1	58	0.0	-55.53	441.81	13.11	-42.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300019187218	0	46	0.0	-44.12	354.68	11.53	-32.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(C2=CC=CC=N2)=C1	REAL300019187218	1	46	0.0	-43.49	363.25	12.00	-31.49
CC1=NN(C(C)(C)C)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187219	0	52	0.0	-33.51	356.75	9.35	-24.16
CC1=NN(C(C)(C)C)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187219	1	52	0.0	-44.36	372.85	10.05	-34.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300019187220	0	40	0.0	-47.71	338.46	11.16	-36.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC(C(F)(F)F)=C1	REAL300019187220	1	40	0.0	-48.41	345.42	11.55	-36.86
CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=C1	REAL300019187221	0	40	0.0	-41.12	329.16	11.38	-29.74
CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=C1	REAL300019187221	1	40	0.0	-28.93	317.16	10.73	-18.20
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCCC1=C(F)C=CC=C1Cl	REAL300019187222	0	43	0.0	-45.57	347.73	11.76	-33.81
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCCC1=C(F)C=CC=C1Cl	REAL300019187222	1	43	0.0	-45.12	354.29	12.14	-32.98
CN1N=CC(Br)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187223	1	37	0.0	-44.68	309.26	8.09	-36.59
CN1N=CC(Br)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187223	1	37	0.0	-42.41	300.96	7.67	-34.74
CC1=NC2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2C=C1	REAL300019187224	0	45	0.0	-50.15	354.15	11.09	-39.06
CC1=NC2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2C=C1	REAL300019187224	1	45	0.0	-48.56	345.60	10.64	-37.92
CC(C)(C)C1=NC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187225	0	47	0.0	-47.64	361.04	9.90	-37.74
CC(C)(C)C1=NC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187225	1	47	0.0	-47.22	354.75	9.59	-37.63
CN1C(=O)OC2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C21	REAL300019187226	0	43	0.0	-58.74	345.66	10.06	-48.68
CN1C(=O)OC2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C21	REAL300019187226	1	43	0.0	-57.31	337.17	9.60	-47.71
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Br)N2C=CC=CC2=N1	REAL300019187227	1	40	0.0	-40.30	326.64	10.45	-29.85
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Br)N2C=CC=CC2=N1	REAL300019187227	1	40	0.0	-40.60	333.83	10.80	-29.80
COC1=CC=C2OC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC2=C1	REAL300019187228	0	44	0.0	-47.10	349.43	9.95	-37.15
COC1=CC=C2OC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC2=C1	REAL300019187228	1	44	0.0	-45.29	343.45	9.62	-35.67
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1OC	REAL300019187229	0	48	0.0	-35.74	361.97	9.95	-25.79
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1OC	REAL300019187229	1	48	0.0	-46.25	358.40	9.62	-36.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC2=CC=CC=C2)O1	REAL300019187230	0	45	0.0	-44.81	352.87	11.51	-33.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC2=CC=CC=C2)O1	REAL300019187230	1	45	0.0	-47.02	357.68	11.80	-35.22
CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187231	0	40	0.0	-45.81	331.03	11.29	-34.52
CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187231	1	40	0.0	-44.97	322.55	10.85	-34.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C2OCC(=O)NC2=C1	REAL300019187232	0	43	0.0	-52.64	333.73	6.88	-45.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C2OCC(=O)NC2=C1	REAL300019187232	1	43	0.0	-52.93	340.37	7.24	-45.69
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NC(Cl)=C1Cl	REAL300019187233	1	36	0.0	-47.42	308.23	8.78	-38.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NC(Cl)=C1Cl	REAL300019187233	1	36	0.0	-48.52	314.11	9.17	-39.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCCC1=CC=C2OCCC2=C1	REAL300019187234	0	48	0.0	-50.80	364.14	11.14	-39.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCCC1=CC=C2OCCC2=C1	REAL300019187234	1	48	0.0	-50.71	370.82	11.54	-39.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(C=N1)OCCO2	REAL300019187235	0	42	0.0	-43.27	324.20	7.30	-35.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(C=N1)OCCO2	REAL300019187235	1	42	0.0	-45.05	331.67	7.48	-37.57
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(C(F)(F)F)=NN1	REAL300019187236	1	37	0.0	-50.25	305.64	7.12	-43.13
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(C(F)(F)F)=NN1	REAL300019187236	1	37	0.0	-51.95	315.01	7.54	-44.41
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC2=C1OCC2	REAL300019187237	0	42	0.0	-41.52	337.09	10.06	-31.46
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC2=C1OCC2	REAL300019187237	1	42	0.0	-41.05	338.58	10.58	-30.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC=CN1C1=CC=CC=C1	REAL300019187238	0	44	0.0	-27.63	336.75	11.44	-16.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC=CN1C1=CC=CC=C1	REAL300019187238	1	44	0.0	-38.14	348.30	11.75	-26.39
CC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300019187239	0	43	0.0	-49.46	344.02	11.91	-37.55
CC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC(Cl)=C1	REAL300019187239	1	43	0.0	-50.30	337.78	11.55	-38.75
CN1C2=CC(Cl)=CC=C2N=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187240	0	43	0.0	-43.79	356.16	10.95	-32.84
CN1C2=CC(Cl)=CC=C2N=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187240	1	43	0.0	-44.33	349.83	10.57	-33.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CCS(=O)(=O)CC1	REAL300019187241	0	43	0.0	-63.34	324.41	6.13	-57.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CCS(=O)(=O)CC1	REAL300019187241	1	43	0.0	-63.23	330.87	6.47	-56.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C(F)(F)F)S1	REAL300019187242	0	37	0.0	-45.94	315.43	10.03	-35.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C(F)(F)F)S1	REAL300019187242	1	37	0.0	-47.99	322.96	10.46	-37.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC(F)F)C(F)=C1	REAL300019187243	0	41	0.0	-49.54	328.48	9.31	-40.23
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC(F)F)C(F)=C1	REAL300019187243	1	41	0.0	-49.31	337.01	9.76	-39.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC(C(F)(F)F)=C1	REAL300019187244	0	37	0.0	-48.01	314.29	9.84	-38.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC(C(F)(F)F)=C1	REAL300019187244	1	37	0.0	-49.23	322.19	10.27	-38.96
CC1(C)OCC2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C2O1	REAL300019187245	0	49	0.0	-47.09	373.61	10.64	-36.45
CC1(C)OCC2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C2O1	REAL300019187245	1	49	0.0	-46.86	365.07	10.20	-36.66
CC1=CC(C(F)(F)F)=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187247	0	43	0.0	-46.31	345.71	11.73	-34.58
CC1=CC(C(F)(F)F)=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187247	1	43	0.0	-45.79	338.94	11.37	-34.42
CCOC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187249	0	43	0.0	-50.31	351.65	10.03	-40.28
CCOC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187249	1	43	0.0	-47.46	345.72	9.66	-37.80
COC1=CC=C(N2C=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=N2)C=C1	REAL300019187250	0	48	0.0	-49.40	379.78	10.57	-38.83
COC1=CC=C(N2C=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=N2)C=C1	REAL300019187250	1	48	0.0	-49.32	372.96	10.16	-39.16
CC1=NOC2=NC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C12	REAL300019187251	0	41	0.0	-57.58	329.28	6.97	-50.61
CC1=NOC2=NC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C12	REAL300019187251	1	41	0.0	-58.55	322.80	6.64	-51.91
CC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300019187252	0	43	0.0	-49.57	348.59	12.01	-37.56
CC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC(Br)=C1	REAL300019187252	1	43	0.0	-50.34	342.34	11.65	-38.69
CC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300019187253	0	46	0.0	-50.56	367.17	12.32	-38.24
CC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=C(C(F)(F)F)C=C1	REAL300019187253	1	46	0.0	-52.09	359.86	12.05	-40.04
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300019187254	0	47	0.0	-50.09	375.20	11.39	-38.70
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(CC2=CC=C(F)C=C2)N=C1	REAL300019187254	1	47	0.0	-49.18	382.10	11.80	-37.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300019187255	0	50	0.0	-44.21	374.02	10.72	-33.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(C2CC2)N(C2=CC=CC=C2)N=N1	REAL300019187255	1	50	0.0	-41.48	391.30	11.61	-29.87
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187256	0	51	0.0	-42.01	388.31	13.09	-28.92
COC1=CC(C2=CC=CC=C2)=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187256	1	51	0.0	-42.78	386.77	12.50	-30.28
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=CC=CO2)S1	REAL300019187257	0	40	0.0	-45.88	332.46	8.84	-37.04
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=CC=CO2)S1	REAL300019187257	1	40	0.0	-47.46	339.82	9.23	-38.23
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187258	0	47	0.0	-51.63	378.36	11.97	-39.66
CC1=NN(C2=CC=CC(F)=C2)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187258	1	47	0.0	-50.59	370.81	11.60	-38.99
CC(C)(C)C1=CC=C(CC[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187259	0	52	0.0	-48.12	389.56	13.22	-34.90
CC(C)(C)C1=CC=C(CC[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187259	1	52	0.0	-48.78	383.04	12.86	-35.92
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCCC1=C(Cl)C=CC=C1Cl	REAL300019187260	0	43	0.0	-45.11	356.50	12.17	-32.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCCC1=C(Cl)C=CC=C1Cl	REAL300019187260	1	43	0.0	-44.81	362.88	12.48	-32.33
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CCOC2=CC=CC=C21	REAL300019187261	0	45	0.0	-38.61	324.11	9.81	-28.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CCOC2=CC=CC=C21	REAL300019187261	1	45	0.0	-50.02	332.40	10.19	-39.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300019187262	0	49	0.0	-51.38	388.61	13.10	-38.28
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCCCC1=CC=CC(C(F)(F)F)=C1	REAL300019187262	1	49	0.0	-51.23	395.39	13.48	-37.75
CN(C1=CC=CC=C1)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187263	0	51	0.0	-46.43	398.41	13.24	-33.19
CN(C1=CC=CC=C1)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187263	1	51	0.0	-46.79	391.96	12.93	-33.86
COCOC1=CC=C(OC)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187264	0	49	0.0	-40.91	368.19	8.58	-32.33
COCOC1=CC=C(OC)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187264	1	49	0.0	-40.96	374.40	8.46	-32.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(Cl)N=CC=C2O1	REAL300019187265	0	39	0.0	-47.53	325.68	9.00	-38.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(Cl)N=CC=C2O1	REAL300019187265	1	39	0.0	-49.14	331.29	9.33	-39.81
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300019187266	0	43	0.0	-47.42	361.29	10.18	-37.24
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=C(F)C(Cl)=C2)N=N1	REAL300019187266	1	43	0.0	-55.99	367.61	10.47	-45.52
CC1=CC=CC=C1N1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187267	0	46	0.0	-49.41	365.64	10.79	-38.62
CC1=CC=CC=C1N1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187267	1	46	0.0	-45.61	359.29	10.50	-35.11
CCSC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187268	0	44	0.0	-44.98	353.22	11.97	-33.01
CCSC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187268	1	44	0.0	-43.12	344.67	11.52	-31.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=NN1C1=CC=CC=C1	REAL300019187269	0	43	0.0	-44.63	329.33	8.98	-35.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=NN1C1=CC=CC=C1	REAL300019187269	1	43	0.0	-46.28	342.75	9.76	-36.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC=NC(Cl)=C2S1	REAL300019187270	0	39	0.0	-48.63	333.06	9.89	-38.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC=NC(Cl)=C2S1	REAL300019187270	1	39	0.0	-51.58	339.23	10.24	-41.34
CN1N=CC(I)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187271	1	37	0.0	-43.52	315.44	8.56	-34.96
CN1N=CC(I)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187271	1	37	0.0	-28.02	304.41	8.16	-19.86
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1C2CC3CC(C2)CC1C3	REAL300019187272	0	51	0.0	-35.46	334.48	11.44	-24.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1C2CC3CC(C2)CC1C3	REAL300019187272	1	51	0.0	-45.16	346.40	11.95	-33.21
COCCC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])NC(=O)OC(C)(C)C	REAL300019187273	0	57	0.0	-48.97	420.27	8.45	-40.52
COCCC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])NC(=O)OC(C)(C)C	REAL300019187273	1	57	0.0	-47.60	418.09	7.45	-40.15
CC(C)OC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300019187274	0	50	0.0	-46.31	379.02	11.52	-34.79
CC(C)OC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300019187274	1	50	0.0	-43.68	371.90	11.56	-32.12
CC(C)N(C)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187275	0	50	0.0	-45.93	376.04	11.31	-34.62
CC(C)N(C)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187275	1	50	0.0	-45.33	369.74	10.98	-34.35
COCCN(C)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187276	0	51	0.0	-46.06	391.48	9.96	-36.10
COCCN(C)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187276	1	51	0.0	-47.16	384.90	9.63	-37.53
CC(C)(C)OC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187277	0	49	0.0	-48.43	393.28	12.07	-36.36
CC(C)(C)OC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187277	1	49	0.0	-47.37	385.93	11.64	-35.73
CN1N=C2CCCCC2=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187278	0	47	0.0	-45.07	353.33	9.99	-35.08
CN1N=C2CCCCC2=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187278	1	47	0.0	-32.15	341.36	9.51	-22.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=C(Cl)S1	REAL300019187279	1	34	0.0	-44.88	312.27	10.02	-34.86
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=C(Cl)S1	REAL300019187279	1	34	0.0	-45.66	318.49	10.37	-35.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300019187280	0	47	0.0	-42.55	385.08	11.70	-30.85
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)N(CC2=CC=CC=C2)N=C1	REAL300019187280	1	47	0.0	-43.05	383.78	11.80	-31.25
CN(C)CC1=CN=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187281	0	44	0.0	-40.55	354.36	6.86	-33.69
CN(C)CC1=CN=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187281	1	44	0.0	-41.75	345.91	6.46	-35.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(C(F)(F)F)SC=C1	REAL300019187282	0	37	0.0	-42.94	307.17	9.96	-32.98
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(C(F)(F)F)SC=C1	REAL300019187282	1	37	0.0	-44.37	314.79	10.28	-34.09
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC2=C1NCCC2	REAL300019187283	0	46	0.0	-41.44	337.69	9.92	-31.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC2=C1NCCC2	REAL300019187283	1	46	0.0	-39.89	340.58	11.05	-28.84
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(I)=N1	REAL300019187284	1	37	0.0	-45.87	322.17	8.85	-37.02
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(I)=N1	REAL300019187284	1	37	0.0	-29.54	305.78	8.10	-21.44
CC(=CC1=CC=CC([N+](=O)[O-])=C1)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187285	0	46	0.0	-52.37	365.21	12.45	-39.92
CC(=CC1=CC=CC([N+](=O)[O-])=C1)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187285	1	46	0.0	-51.21	357.61	12.10	-39.11
CN1C=C(C2=CSC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=N2)C=N1	REAL300019187286	0	43	0.0	-45.97	360.81	8.71	-37.26
CN1C=C(C2=CSC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=N2)C=N1	REAL300019187286	1	43	0.0	-48.00	352.58	8.22	-39.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CCC2(CC1)OCCO2	REAL300019187287	0	49	0.0	-37.61	345.33	8.59	-29.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CCC2(CC1)OCCO2	REAL300019187287	1	49	0.0	-47.76	358.07	9.34	-38.42
COC1=CC=C2N=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])SC2=C1	REAL300019187288	0	43	0.0	-42.77	354.63	9.01	-33.76
COC1=CC=C2N=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])SC2=C1	REAL300019187288	1	43	0.0	-43.15	346.13	8.50	-34.65
COC(=O)COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187289	0	49	0.0	-64.58	403.42	12.19	-52.39
COC(=O)COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187289	1	49	0.0	-65.72	394.93	11.74	-53.98
CCC1=CC=CC(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187290	0	43	0.0	-38.80	335.33	11.68	-27.12
CCC1=CC=CC(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187290	1	43	0.0	-27.36	322.30	11.17	-16.19
CN1C(=O)SC2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C21	REAL300019187291	0	43	0.0	-53.34	353.23	10.19	-43.15
CN1C(=O)SC2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C21	REAL300019187291	1	43	0.0	-54.95	344.66	9.72	-45.23
COC(=O)C1C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1(F)F	REAL300019187292	0	40	0.0	-52.86	324.94	9.31	-43.55
COC(=O)C1C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1(F)F	REAL300019187292	1	40	0.0	-53.62	318.56	8.94	-44.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300019187293	0	44	0.0	-48.38	361.27	11.89	-36.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC(F)=C2F)O1	REAL300019187293	1	44	0.0	-47.52	366.21	12.18	-35.34
CCN(C)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187294	0	47	0.0	-44.96	360.11	10.78	-34.18
CCN(C)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187294	1	47	0.0	-45.58	353.53	10.46	-35.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2CC2)C=C1	REAL300019187295	0	48	0.0	-45.12	366.09	11.47	-33.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2CC2)C=C1	REAL300019187295	1	48	0.0	-44.88	374.56	11.92	-32.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(O)C=CC(Cl)=C1F	REAL300019187296	1	38	0.0	-43.77	318.44	7.71	-36.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(O)C=CC(Cl)=C1F	REAL300019187296	1	38	0.0	-43.15	311.67	7.65	-35.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NNC=C1C1=CC=CC=C1	REAL300019187297	0	44	0.0	-31.46	338.58	9.82	-21.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NNC=C1C1=CC=CC=C1	REAL300019187297	1	44	0.0	-41.01	351.23	10.13	-30.88
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(C2=CC=CC=C2)C=NN1	REAL300019187297	1	44	0.0	-33.36	338.61	9.85	-23.51
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(C2=CC=CC=C2)C=NN1	REAL300019187297	1	44	0.0	-44.49	351.00	10.09	-34.40
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC=C(F)C=C2N1	REAL300019187298	0	41	0.0	-47.88	323.40	9.71	-38.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC=C(F)C=C2N1	REAL300019187298	1	41	0.0	-48.62	331.00	10.17	-38.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C(Cl)=C1	REAL300019187299	0	37	0.0	-48.15	319.14	10.73	-37.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C(Cl)=C1	REAL300019187299	1	37	0.0	-47.25	327.67	11.19	-36.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2OCCO2)S1	REAL300019187300	0	42	0.0	-46.25	338.84	6.61	-39.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2OCCO2)S1	REAL300019187300	1	42	0.0	-47.57	346.43	7.03	-40.54
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC2=CC=C(F)C=C2S1	REAL300019187301	0	39	0.0	-43.25	322.34	9.22	-34.03
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC2=CC=C(F)C=C2S1	REAL300019187301	1	39	0.0	-42.40	331.03	9.73	-32.67
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C(Cl)=C1Cl	REAL300019187302	1	37	0.0	-30.01	313.45	10.50	-19.51
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C(Cl)=C1Cl	REAL300019187302	1	37	0.0	-47.39	319.31	10.86	-36.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC(Cl)=C1Cl	REAL300019187303	1	34	0.0	-44.00	306.18	9.74	-34.26
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC(Cl)=C1Cl	REAL300019187303	1	34	0.0	-32.87	288.59	9.33	-23.54
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(SC2=CC=CC=N2)O1	REAL300019187304	0	44	0.0	-42.88	362.37	10.97	-31.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(SC2=CC=CC=N2)O1	REAL300019187304	1	44	0.0	-45.46	368.26	11.33	-34.13
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCC1=CC=C(F)C=C1Cl	REAL300019187305	0	40	0.0	-50.73	326.92	11.01	-39.72
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCC1=CC=C(F)C=C1Cl	REAL300019187305	1	40	0.0	-48.72	332.50	11.37	-37.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300019187306	0	48	0.0	-48.03	378.45	12.58	-35.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC2=CC=CC(F)=C2)C=C1	REAL300019187306	1	48	0.0	-48.11	385.19	12.98	-35.13
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300019187307	0	54	0.0	-44.00	417.83	11.04	-32.96
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OCC2=CC=CN=C2)=C1	REAL300019187307	1	54	0.0	-47.26	418.74	10.58	-36.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C(F)(F)F)S1	REAL300019187308	1	36	0.0	-48.28	310.75	8.13	-40.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C(F)(F)F)S1	REAL300019187308	1	36	0.0	-49.14	317.06	8.48	-40.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC2=CC=C(Br)C=C2S1	REAL300019187309	0	39	0.0	-42.91	337.23	9.75	-33.16
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC2=CC=C(Br)C=C2S1	REAL300019187309	1	39	0.0	-41.89	345.91	10.26	-31.63
COC1=C([N+](=O)[O-])C=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187310	1	44	0.0	-38.82	335.45	8.77	-30.05
COC1=C([N+](=O)[O-])C=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187310	1	44	0.0	-58.76	350.61	8.21	-50.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC=C(C2OCCO2)S1	REAL300019187311	1	42	0.0	-43.40	337.99	6.53	-36.87
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC=C(C2OCCO2)S1	REAL300019187311	1	42	0.0	-42.23	346.21	6.99	-35.24
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300019187312	0	47	0.0	-50.30	375.62	10.75	-39.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=C(C(F)(F)F)C=C1	REAL300019187312	1	47	0.0	-50.84	387.68	11.04	-39.80
CN1N=C(Br)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187313	1	37	0.0	-48.05	314.87	8.19	-39.86
CN1N=C(Br)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187313	1	37	0.0	-47.39	300.19	7.49	-39.90
CCOC1=C(Cl)C=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187314	0	44	0.0	-40.11	352.04	11.15	-28.96
CCOC1=C(Cl)C=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187314	1	44	0.0	-42.54	352.14	10.61	-31.93
CCCCCCCCCC(C)CC[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187315	0	63	0.0	-45.06	461.25	15.28	-29.78
CCCCCCCCCC(C)CC[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187315	1	63	0.0	-45.70	454.74	14.91	-30.79
CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187316	0	44	0.0	-47.82	349.12	10.41	-37.41
CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187316	1	44	0.0	-49.49	340.58	9.96	-39.53
N#CCCN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300019187317	0	50	0.0	-46.26	389.67	10.36	-35.90
N#CCCN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300019187317	1	50	0.0	-56.57	409.57	10.96	-45.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1C1=CC=CC=C1	REAL300019187318	0	44	0.0	-34.66	337.69	10.66	-24.00
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1C1=CC=CC=C1	REAL300019187318	1	44	0.0	-43.72	347.71	10.98	-32.74
CC(C)(C)C1=CN=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187319	0	45	0.0	-39.54	357.73	10.03	-29.51
CC(C)(C)C1=CN=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187319	1	45	0.0	-40.80	350.26	9.45	-31.35
CC1=NN(C)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187320	1	40	0.0	-43.79	329.99	8.64	-35.15
CC1=NN(C)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187320	1	40	0.0	-42.18	322.13	8.24	-33.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1(C2=CC=CC=C2)CCOC1	REAL300019187321	0	48	0.0	-31.79	338.01	10.20	-21.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1(C2=CC=CC=C2)CCOC1	REAL300019187321	1	48	0.0	-31.03	336.11	9.96	-21.07
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCCCCl)C=C1	REAL300019187322	0	47	0.0	-47.08	373.03	11.31	-35.77
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCCCCl)C=C1	REAL300019187322	1	47	0.0	-46.56	381.54	11.76	-34.80
CC(C)(C)OC(=O)N(CC[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C(C)(C)C	REAL300019187323	0	59	0.0	-45.99	425.45	11.37	-34.62
CC(C)(C)OC(=O)N(CC[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C(C)(C)C	REAL300019187323	1	59	0.0	-50.26	419.09	10.98	-39.28
CC(C)C(CNC(=O)OC(C)(C)C)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187324	0	59	0.0	-50.46	426.84	9.50	-40.96
CC(C)C(CNC(=O)OC(C)(C)C)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187324	1	59	0.0	-42.01	412.31	10.01	-32.00
CN1C=C(C2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)C=N1	REAL300019187325	0	47	0.0	-48.66	370.05	11.34	-37.32
CN1C=C(C2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)C=N1	REAL300019187325	1	47	0.0	-48.93	363.12	10.97	-37.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(F)C=CC=C1Br	REAL300019187326	0	37	0.0	-38.80	304.05	10.12	-28.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(F)C=CC=C1Br	REAL300019187326	1	37	0.0	-38.64	311.91	10.52	-28.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C=C1C(F)(F)F	REAL300019187327	0	40	0.0	-44.41	333.51	11.25	-33.16
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C=C1C(F)(F)F	REAL300019187327	1	40	0.0	-34.64	336.39	11.49	-23.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300019187328	0	43	0.0	-33.41	335.94	13.32	-20.09
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Cl)C=C1N1C=NC=N1	REAL300019187328	1	43	0.0	-37.74	335.23	12.47	-25.27
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019187329	0	50	0.0	-46.66	375.27	13.67	-32.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC(C1=CC=CC=C1)C1=CC=CC=C1	REAL300019187329	1	50	0.0	-42.59	373.59	13.58	-29.01
CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187330	0	48	0.0	-48.42	370.23	10.13	-38.29
CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187330	1	48	0.0	-47.38	363.62	9.79	-37.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2C=CC=N2)C=C1	REAL300019187331	0	44	0.0	-50.73	341.71	10.86	-39.87
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2C=CC=N2)C=C1	REAL300019187331	1	44	0.0	-49.36	349.89	11.32	-38.04
CC(C)(C)OC(=O)N1CCCC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187332	0	57	0.0	-45.59	411.71	10.83	-34.76
CC(C)(C)OC(=O)N1CCCC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187332	1	57	0.0	-33.20	402.22	10.35	-22.85
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300019187333	0	55	0.0	-49.90	432.03	13.28	-36.62
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC1=CC=CC=C1	REAL300019187333	1	55	0.0	-49.14	423.49	12.84	-36.30
CC(C)(C)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187334	0	49	0.0	-42.85	366.13	12.37	-30.48
CC(C)(C)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187334	1	49	0.0	-42.50	359.17	11.98	-30.52
COC1=CC(OC)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OC)=C1	REAL300019187335	0	49	0.0	-39.33	373.29	8.26	-31.07
COC1=CC(OC)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OC)=C1	REAL300019187335	1	49	0.0	-40.06	366.29	7.95	-32.11
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300019187336	0	45	0.0	-46.67	361.71	8.92	-37.75
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC(F)F)C=C1OC(F)F	REAL300019187336	1	45	0.0	-55.80	362.46	9.17	-46.63
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300019187337	0	55	0.0	-51.11	436.56	13.25	-37.86
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=C(F)C=C1	REAL300019187337	1	55	0.0	-49.82	429.91	12.91	-36.91
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(F)F	REAL300019187338	0	45	0.0	-48.83	358.14	9.49	-39.34
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(F)F	REAL300019187338	1	45	0.0	-48.71	351.52	9.15	-39.56
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Br)=C1OC	REAL300019187339	0	48	0.0	-49.70	396.47	10.99	-38.71
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Br)=C1OC	REAL300019187339	1	48	0.0	-47.75	387.90	10.54	-37.21
CCCOC1=CC=C(Br)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187340	0	47	0.0	-40.82	378.50	11.99	-28.83
CCCOC1=CC=C(Br)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187340	1	47	0.0	-40.94	377.34	11.42	-29.52
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187341	0	48	0.0	-47.66	372.13	10.24	-37.42
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187341	1	48	0.0	-47.75	363.60	9.78	-37.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300019187342	0	51	0.0	-42.45	394.60	13.07	-29.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC1=CC=CC=C1	REAL300019187342	1	51	0.0	-40.29	395.45	13.62	-26.67
CCCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187343	0	53	0.0	-44.67	407.39	12.70	-31.97
CCCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187343	1	53	0.0	-44.93	399.21	12.24	-32.69
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187344	0	41	0.0	-48.76	341.45	10.07	-38.69
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187344	1	41	0.0	-47.74	332.92	9.62	-38.12
CC(C)OC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187345	0	47	0.0	-38.82	353.83	11.23	-27.59
CC(C)OC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187345	1	47	0.0	-40.42	353.07	10.69	-29.73
CCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187346	0	54	0.0	-48.26	413.23	11.71	-36.55
CCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187346	1	54	0.0	-47.23	406.61	11.37	-35.86
C=CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187347	0	49	0.0	-48.83	383.14	10.71	-38.12
C=CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187347	1	49	0.0	-47.74	376.52	10.37	-37.37
CCCCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187348	0	60	0.0	-48.07	456.23	13.27	-34.80
CCCCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187348	1	60	0.0	-47.00	449.61	12.93	-34.07
CN(CCC#N)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187349	0	49	0.0	-49.05	385.44	11.97	-37.08
CN(CCC#N)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187349	1	49	0.0	-48.88	376.93	11.51	-37.37
CCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187350	0	47	0.0	-44.71	364.39	11.14	-33.57
CCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187350	1	47	0.0	-44.81	355.87	10.69	-34.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300019187351	0	47	0.0	-32.12	355.50	11.57	-20.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(OC(F)F)C=CC2=CC=CC=C21	REAL300019187351	1	47	0.0	-41.17	367.71	12.01	-29.16
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(C)C	REAL300019187352	0	51	0.0	-48.16	388.29	10.78	-37.38
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(C)C	REAL300019187352	1	51	0.0	-47.20	382.04	10.45	-36.75
CN(C)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C(F)(F)F)=C1	REAL300019187353	0	48	0.0	-45.33	369.76	11.30	-34.03
CN(C)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C(F)(F)F)=C1	REAL300019187353	1	48	0.0	-42.34	363.67	11.03	-31.31
CC(C)C(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300019187354	0	49	0.0	-44.16	365.18	12.45	-31.71
CC(C)C(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=CC=C1	REAL300019187354	1	49	0.0	-29.52	348.08	11.59	-17.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1C1=CC=C(F)C=C1	REAL300019187355	0	44	0.0	-43.25	341.42	10.28	-32.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1C1=CC=C(F)C=C1	REAL300019187355	1	44	0.0	-31.11	329.25	9.90	-21.21
CC1=CC=CC=C1N1N=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187356	0	47	0.0	-43.45	365.64	11.94	-31.51
CC1=CC=CC=C1N1N=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187356	1	47	0.0	-30.54	350.95	11.13	-19.41
COC(=O)C1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187357	0	43	0.0	-46.93	344.44	10.68	-36.25
COC(=O)C1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187357	1	43	0.0	-47.56	337.80	10.32	-37.24
COC(=O)C1=CC=C(Cl)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187358	0	43	0.0	-42.98	358.05	11.20	-31.78
COC(=O)C1=CC=C(Cl)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187358	1	43	0.0	-35.17	346.13	10.62	-24.55
COC1=CC=CC=C1N1N=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187359	0	48	0.0	-44.58	377.95	10.51	-34.07
COC1=CC=CC=C1N1N=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187359	1	48	0.0	-32.41	361.86	9.68	-22.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC=C1OCC1CC1	REAL300019187360	0	48	0.0	-41.22	382.96	12.11	-29.11
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC=C1OCC1CC1	REAL300019187360	1	48	0.0	-47.01	383.69	12.34	-34.67
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CCC(C2=CC=CC=C2)CC1	REAL300019187361	0	53	0.0	-36.08	367.39	12.84	-23.24
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CCC(C2=CC=CC=C2)CC1	REAL300019187361	1	53	0.0	-47.23	385.46	13.56	-33.67
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300019187362	0	56	0.0	-34.46	416.47	15.34	-19.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC(CC1=CC=CC=C1)CC1=CC=CC=C1	REAL300019187362	1	56	0.0	-46.96	406.18	14.91	-32.05
C[C@H](C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])NC(=O)OC(C)(C)C	REAL300019187363	0	50	0.0	-46.01	377.14	8.19	-37.82
C[C@H](C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])NC(=O)OC(C)(C)C	REAL300019187363	1	50	0.0	-33.95	363.39	8.49	-25.46
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1O	REAL300019187364	0	46	0.0	-50.20	359.39	7.06	-43.14
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1O	REAL300019187364	1	46	0.0	-49.44	352.49	6.68	-42.76
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1C#N	REAL300019187365	0	42	0.0	-55.67	339.32	9.72	-45.95
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1C#N	REAL300019187365	1	42	0.0	-54.76	332.70	9.38	-45.38
COC(=O)C1=C(C)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N1	REAL300019187366	0	44	0.0	-50.72	353.40	9.11	-41.61
COC(=O)C1=C(C)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N1	REAL300019187366	1	44	0.0	-49.32	344.04	8.71	-40.61
CCC1=CC(OC)=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187367	0	47	0.0	-51.10	348.59	10.42	-40.68
CCC1=CC(OC)=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187367	1	47	0.0	-42.89	347.51	10.29	-32.60
CC(C)(C)OC(=O)NC1=NC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187369	0	50	0.0	-49.66	400.62	9.14	-40.52
CC(C)(C)OC(=O)NC1=NC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187369	1	50	0.0	-50.11	393.47	8.76	-41.35
CC(=CC1=CC=CC=C1C(F)(F)F)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187370	0	47	0.0	-42.61	371.76	12.67	-29.94
CC(=CC1=CC=CC=C1C(F)(F)F)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187370	1	47	0.0	-49.20	363.80	12.26	-36.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1	REAL300019187371	0	50	0.0	-52.61	379.82	13.36	-39.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1	REAL300019187371	1	50	0.0	-56.01	394.46	14.18	-41.83
COC(=O)C1=C(C)N(C)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187372	0	47	0.0	-48.67	370.77	10.67	-38.00
COC(=O)C1=C(C)N(C)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187372	1	47	0.0	-33.68	360.59	10.16	-23.52
CCC1=C(C(=O)OC)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187373	0	46	0.0	-47.87	368.66	10.47	-37.40
CCC1=C(C(=O)OC)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187373	1	46	0.0	-46.83	363.77	10.18	-36.65
CN1C=C(C2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])S2)C=N1	REAL300019187374	0	44	0.0	-47.32	366.04	10.84	-36.48
CN1C=C(C2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])S2)C=N1	REAL300019187374	1	44	0.0	-46.42	358.40	10.39	-36.03
CN(C)C1=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Cl)N1C1=CC=CC=C1	REAL300019187375	1	52	0.0	-39.11	423.07	12.84	-26.27
CN(C)C1=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Cl)N1C1=CC=CC=C1	REAL300019187375	1	52	0.0	-39.07	416.28	12.90	-26.17
CC1=NN(C2=CC=CC=N2)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187376	0	49	0.0	-45.86	379.86	11.82	-34.04
CC1=NN(C2=CC=CC=N2)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187376	1	49	0.0	-45.52	371.80	11.42	-34.10
COCCCN1N=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187377	0	47	0.0	-45.13	364.85	8.44	-36.69
COCCCN1N=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187377	1	47	0.0	-36.88	359.34	8.05	-28.83
CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=NN2C)=C1	REAL300019187378	0	50	0.0	-39.73	367.44	10.78	-28.95
CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=NN2C)=C1	REAL300019187378	1	50	0.0	-36.78	372.91	11.21	-25.57
CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300019187379	0	50	0.0	-45.65	388.76	11.88	-33.77
CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CN(C)N=C2)=C1	REAL300019187379	1	50	0.0	-39.27	377.75	11.59	-27.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300019187380	0	47	0.0	-46.37	373.97	13.59	-32.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2)C=C1	REAL300019187380	1	47	0.0	-46.96	380.22	13.95	-33.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300019187381	0	43	0.0	-45.17	366.46	11.28	-33.89
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=CC=C(Cl)C=C2)S1	REAL300019187381	1	43	0.0	-45.80	373.36	11.65	-34.15
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=C1	REAL300019187382	0	43	0.0	-30.16	354.11	11.00	-19.16
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=C1	REAL300019187382	1	43	0.0	-31.79	350.44	10.71	-21.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(F)C=CC=C1OC(F)(F)F	REAL300019187383	1	41	0.0	-39.96	330.45	9.80	-30.16
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(F)C=CC=C1OC(F)(F)F	REAL300019187383	1	41	0.0	-39.96	338.84	10.14	-29.82
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(I)=C1	REAL300019187384	0	37	0.0	-44.08	310.77	10.76	-33.32
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(I)=C1	REAL300019187384	1	37	0.0	-43.96	317.41	11.11	-32.85
COC1=CC=CC(OC)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187385	0	45	0.0	-38.35	344.46	8.96	-29.39
COC1=CC=CC(OC)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187385	1	45	0.0	-38.76	336.75	8.64	-30.12
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=C1	REAL300019187386	0	41	0.0	-28.30	328.82	9.65	-18.65
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=C1	REAL300019187386	1	41	0.0	-29.63	325.19	9.35	-20.28
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187387	0	46	0.0	-42.99	378.40	11.54	-31.45
CC1=NN(C2=CC=CC=N2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187387	1	46	0.0	-44.03	370.12	11.10	-32.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC=CC1=CC=C(F)C(F)=C1	REAL300019187388	0	41	0.0	-54.56	329.69	11.20	-43.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC=CC1=CC=C(F)C(F)=C1	REAL300019187388	1	41	0.0	-52.59	336.82	11.63	-40.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300019187389	0	56	0.0	-45.61	420.11	13.16	-32.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C2C(=C1)CCN2CC1=CC=CC=C1	REAL300019187389	1	56	0.0	-45.83	428.60	13.62	-32.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC=C1Br	REAL300019187390	0	34	0.0	-41.08	293.73	9.24	-31.84
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC=C1Br	REAL300019187390	1	34	0.0	-43.16	293.43	9.43	-33.73
CCOC(=O)C1=C(C)NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187391	0	47	0.0	-50.26	375.48	10.08	-40.18
CCOC(=O)C1=C(C)NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187391	1	47	0.0	-49.62	367.00	9.60	-40.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300019187392	0	47	0.0	-51.28	382.04	11.87	-39.41
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=C(C(F)(F)F)C=C2)N=C1	REAL300019187392	1	47	0.0	-50.41	388.99	12.27	-38.14
CC1CN(C(=O)OC(C)(C)C)CCC1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187394	0	60	0.0	-53.35	427.55	11.23	-42.12
CC1CN(C(=O)OC(C)(C)C)CCC1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187394	1	60	0.0	-40.73	418.83	10.87	-29.86
CC(C)(C)OC(=O)NCC1(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300019187395	0	54	0.0	-46.69	400.79	9.48	-37.21
CC(C)(C)OC(=O)NCC1(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CC1	REAL300019187395	1	54	0.0	-45.98	393.55	9.01	-36.97
CC1CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCN1C(=O)OC(C)(C)C	REAL300019187396	0	60	0.0	-53.24	429.18	11.55	-41.69
CC1CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCN1C(=O)OC(C)(C)C	REAL300019187396	1	60	0.0	-40.98	417.06	10.83	-30.15
COCCOCC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187397	0	51	0.0	-47.20	400.48	10.01	-37.19
COCCOCC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187397	1	51	0.0	-46.55	393.57	9.62	-36.93
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300019187398	0	52	0.0	-54.75	418.30	10.49	-44.26
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1OCC(F)F	REAL300019187398	1	52	0.0	-52.91	409.79	10.04	-42.87
CCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187399	0	54	0.0	-47.28	415.49	11.96	-35.32
CCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187399	1	54	0.0	-47.54	406.95	11.50	-36.04
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300019187400	0	58	0.0	-48.83	453.89	14.21	-34.62
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300019187400	1	58	0.0	-48.70	445.37	13.76	-34.94
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[N@@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])=C2	REAL300019187401	0	53	0.0	-48.20	413.94	14.85	-33.35
CCN1C2=C(C=CC=C2)C2=C1C=CC(C[N@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])=C2	REAL300019187401	1	53	0.0	-46.06	404.67	14.39	-31.67
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=C2OCOC2=C1	REAL300019187402	0	40	0.0	-48.64	330.40	8.95	-39.69
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=C2OCOC2=C1	REAL300019187402	1	40	0.0	-49.55	338.89	9.40	-40.15
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC(C)C	REAL300019187403	0	57	0.0	-46.97	435.59	12.64	-34.33
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC(C)C	REAL300019187403	1	57	0.0	-47.23	427.06	12.18	-35.05
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CC=C1F	REAL300019187404	0	37	0.0	-42.46	311.51	10.36	-32.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CC=C1F	REAL300019187404	1	37	0.0	-42.71	317.19	10.74	-31.97
COC1=CC(Br)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187405	0	45	0.0	-44.10	366.46	9.92	-34.18
COC1=CC(Br)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187405	1	45	0.0	-32.58	356.78	9.37	-23.21
COC1=CC(OC)=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187406	0	45	0.0	-44.75	350.29	8.69	-36.06
COC1=CC(OC)=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187406	1	45	0.0	-44.15	342.05	8.25	-35.90
COC1=CC2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2C=C1	REAL300019187407	0	47	0.0	-47.21	364.97	11.57	-35.64
COC1=CC2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2C=C1	REAL300019187407	1	47	0.0	-47.31	358.41	11.20	-36.11
CCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187408	0	57	0.0	-47.35	436.99	12.74	-34.61
CCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187408	1	57	0.0	-47.54	428.45	12.28	-35.26
COC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC(F)F	REAL300019187409	0	45	0.0	-44.85	358.71	9.83	-35.02
COC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC(F)F	REAL300019187409	1	45	0.0	-37.02	343.81	9.55	-27.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1N1CCCC1	REAL300019187410	0	49	0.0	-30.98	345.21	10.08	-20.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1N1CCCC1	REAL300019187410	1	49	0.0	-38.58	358.21	10.91	-27.67
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC(N)=O	REAL300019187411	0	49	0.0	-60.62	388.87	7.28	-53.34
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC(N)=O	REAL300019187411	1	49	0.0	-59.56	380.33	6.83	-52.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(F)C=CC=C1N1CCCC1	REAL300019187412	0	49	0.0	-32.07	355.98	10.95	-21.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(F)C=CC=C1N1CCCC1	REAL300019187412	1	49	0.0	-36.59	364.09	10.41	-26.18
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C(Br)=C1	REAL300019187413	0	37	0.0	-49.15	310.02	10.32	-38.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C(Br)=C1	REAL300019187413	1	37	0.0	-47.93	318.54	10.78	-37.15
CC1=CC=C(COC2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)C=C1	REAL300019187414	0	54	0.0	-46.15	424.21	14.07	-32.08
CC1=CC=C(COC2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)C=C1	REAL300019187414	1	54	0.0	-46.45	415.69	13.63	-32.82
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2CCCCC2)C=C1	REAL300019187415	0	52	0.0	-43.66	376.25	10.95	-32.71
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2CCCCC2)C=C1	REAL300019187415	1	52	0.0	-43.76	382.55	11.29	-32.47
CN(C1=CC=CC=C1)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187416	0	52	0.0	-44.78	401.14	13.91	-30.87
CN(C1=CC=CC=C1)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187416	1	52	0.0	-45.96	394.46	13.52	-32.44
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1OC	REAL300019187417	0	45	0.0	-49.89	368.33	9.85	-40.04
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1OC	REAL300019187417	1	45	0.0	-49.50	361.67	9.50	-40.00
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CC=C1OC(F)F	REAL300019187418	1	41	0.0	-43.61	343.75	9.95	-33.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CC=C1OC(F)F	REAL300019187418	1	41	0.0	-44.70	345.24	10.57	-34.13
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC(C)C	REAL300019187419	0	54	0.0	-47.10	413.73	11.72	-35.38
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC(C)C	REAL300019187419	1	54	0.0	-46.83	405.17	11.27	-35.56
CCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC	REAL300019187420	0	48	0.0	-40.19	365.74	10.37	-29.82
CCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC	REAL300019187420	1	48	0.0	-42.34	365.29	9.89	-32.45
CCCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187421	0	51	0.0	-47.34	393.63	11.04	-36.30
CCCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187421	1	51	0.0	-47.56	385.10	10.58	-36.98
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1OC	REAL300019187422	0	48	0.0	-49.84	392.09	10.88	-38.96
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1OC	REAL300019187422	1	48	0.0	-48.02	383.59	10.43	-37.59
C=CCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187423	0	45	0.0	-43.25	347.29	10.48	-32.77
C=CCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187423	1	45	0.0	-43.06	355.80	10.93	-32.13
COC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC(C)C	REAL300019187424	0	51	0.0	-41.95	384.94	10.95	-31.00
COC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC(C)C	REAL300019187424	1	51	0.0	-30.31	371.34	10.55	-19.76
CCOC1=C(Cl)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187425	0	48	0.0	-48.85	390.17	10.81	-38.04
CCOC1=C(Cl)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187425	1	48	0.0	-48.66	383.57	10.46	-38.20
CCNC(=O)COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187426	0	55	0.0	-59.55	430.38	9.45	-50.10
CCNC(=O)COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187426	1	55	0.0	-57.38	423.76	9.11	-48.27
CCCOC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CC=C1OCC	REAL300019187427	0	54	0.0	-42.11	415.77	12.15	-29.96
CCCOC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CC=C1OCC	REAL300019187427	1	54	0.0	-41.69	408.53	11.64	-30.05
CCCCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187428	0	54	0.0	-47.46	415.13	11.82	-35.64
CCCCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187428	1	54	0.0	-46.99	406.57	11.37	-35.62
CCCOC1=C(Cl)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187429	0	54	0.0	-49.58	435.44	12.63	-36.95
CCCOC1=C(Cl)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187429	1	54	0.0	-47.72	426.94	12.18	-35.54
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC(F)F	REAL300019187430	0	45	0.0	-45.36	360.04	9.61	-35.75
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC(F)F	REAL300019187430	1	45	0.0	-46.02	351.51	9.15	-36.87
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(F)F	REAL300019187431	0	48	0.0	-49.37	381.89	10.52	-38.85
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(F)F	REAL300019187431	1	48	0.0	-48.27	373.36	10.06	-38.21
CC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(C)=C1OC(F)F	REAL300019187432	0	47	0.0	-46.84	370.08	11.18	-35.66
CC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(C)=C1OC(F)F	REAL300019187432	1	47	0.0	-46.70	361.98	10.71	-35.99
CCOC1=CC2=C(C=C1C[N@@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])OC(C)C2	REAL300019187433	0	52	0.0	-41.09	392.71	11.17	-29.92
CCOC1=CC2=C(C=C1C[N@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])OC(C)C2	REAL300019187433	1	52	0.0	-41.16	391.38	10.59	-30.57
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC2=C1OCCO2	REAL300019187434	0	47	0.0	-48.62	363.31	9.03	-39.59
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC2=C1OCCO2	REAL300019187434	1	47	0.0	-48.78	356.70	8.69	-40.09
CCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC(F)F	REAL300019187435	0	48	0.0	-44.55	379.81	10.68	-33.87
CCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC(F)F	REAL300019187435	1	48	0.0	-43.96	373.25	10.18	-33.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300019187436	0	55	0.0	-50.25	418.11	11.87	-38.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC(=O)N1CCCC1	REAL300019187436	1	55	0.0	-44.31	418.50	12.29	-32.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(C2=CC=CC=N2)=NN1	REAL300019187437	0	43	0.0	-48.25	340.79	8.02	-40.23
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(C2=CC=CC=N2)=NN1	REAL300019187437	1	43	0.0	-48.02	348.20	8.33	-39.69
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187438	0	45	0.0	-37.48	369.37	10.78	-26.70
CN(C)C1=CC(Cl)=CC(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187438	1	45	0.0	-27.92	360.50	10.43	-17.49
COC(=O)C1=CC=C([N+](=O)[O-])C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187439	0	45	0.0	-46.58	362.00	11.30	-35.28
COC(=O)C1=CC=C([N+](=O)[O-])C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187439	1	45	0.0	-37.74	351.55	11.16	-26.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(O)=CC(C(F)(F)F)=C1	REAL300019187440	0	41	0.0	-48.93	339.37	8.15	-40.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(O)=CC(C(F)(F)F)=C1	REAL300019187440	1	41	0.0	-48.09	332.82	7.79	-40.30
CC(=CC1=CC=CC=C1OC(F)F)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187441	0	48	0.0	-47.70	375.60	11.38	-36.32
CC(=CC1=CC=CC=C1OC(F)F)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187441	1	48	0.0	-49.64	368.29	11.03	-38.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(C(F)(F)F)=CC=C1Br	REAL300019187442	0	40	0.0	-30.63	333.73	11.04	-19.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(C(F)(F)F)=CC=C1Br	REAL300019187442	1	40	0.0	-42.30	346.85	11.73	-30.57
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300019187443	1	39	0.0	-46.36	343.53	11.63	-34.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC(Cl)=C1[N+](=O)[O-]	REAL300019187443	1	39	0.0	-48.04	349.91	12.02	-36.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC=C1C(F)(F)F	REAL300019187444	0	37	0.0	-42.42	305.36	9.74	-32.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC=C1C(F)(F)F	REAL300019187444	1	37	0.0	-43.70	311.77	10.05	-33.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(F)C=CC(C2OCCO2)=C1Cl	REAL300019187445	0	46	0.0	-32.62	363.23	9.58	-23.04
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(F)C=CC(C2OCCO2)=C1Cl	REAL300019187445	1	46	0.0	-40.10	373.55	10.00	-30.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2CCCC2)C=C1	REAL300019187446	0	50	0.0	-42.71	367.60	12.88	-29.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2CCCC2)C=C1	REAL300019187446	1	50	0.0	-42.82	375.06	13.30	-29.52
CCOC(=O)C1=NOC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187447	0	42	0.0	-51.95	346.27	9.26	-42.69
CCOC(=O)C1=NOC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187447	1	42	0.0	-50.57	340.27	8.89	-41.68
CC(C)(C)OC(=O)N1CC2CC2(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187448	0	55	0.0	-48.28	406.81	10.93	-37.35
CC(C)(C)OC(=O)N1CC2CC2(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187448	1	55	0.0	-47.46	399.29	10.50	-36.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCC1=CC=C([N+](=O)[O-])C=C1	REAL300019187449	0	42	0.0	-62.51	335.11	11.21	-51.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCC1=CC=C([N+](=O)[O-])C=C1	REAL300019187449	1	42	0.0	-61.41	341.40	11.58	-49.83
CC(C)(C)OC(=O)N1CC(F)(F)CC1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187450	0	54	0.0	-45.79	401.07	10.13	-35.66
CC(C)(C)OC(=O)N1CC(F)(F)CC1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187450	1	54	0.0	-36.89	403.09	10.07	-26.82
COCC1=CC=CC=C1C=C(C)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187451	0	51	0.0	-46.97	388.63	11.64	-35.33
COCC1=CC=CC=C1C=C(C)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187451	1	51	0.0	-46.70	380.16	11.21	-35.49
CN1N=CC=C1C1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187452	0	47	0.0	-44.67	359.33	10.69	-33.98
CN1N=CC=C1C1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187452	1	47	0.0	-37.10	351.07	10.54	-26.56
CC(C)(C)OC(=O)NCC1(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCC1	REAL300019187453	0	57	0.0	-32.23	407.87	10.28	-21.95
CC(C)(C)OC(=O)NCC1(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCC1	REAL300019187453	1	57	0.0	-34.73	403.32	9.24	-25.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CON=C1CC1=CC=CC=C1	REAL300019187454	0	46	0.0	-35.64	354.64	11.57	-24.07
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CON=C1CC1=CC=CC=C1	REAL300019187454	1	46	0.0	-58.87	360.24	11.63	-47.24
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187455	0	54	0.0	-51.66	393.29	10.02	-41.64
CC(C)(C)OC(=O)N1CCC[C@@H]1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187455	1	54	0.0	-38.15	390.02	9.92	-28.23
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N1C	REAL300019187456	0	44	0.0	-49.74	349.30	10.04	-39.70
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N1C	REAL300019187456	1	44	0.0	-34.68	339.69	9.60	-25.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC2=C(F)C(F)=CC=C2C=C1	REAL300019187457	0	42	0.0	-48.85	338.96	10.42	-38.43
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC2=C(F)C(F)=CC=C2C=C1	REAL300019187457	1	42	0.0	-54.16	344.09	10.48	-43.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=C(F)C=C1O	REAL300019187458	1	38	0.0	-28.19	301.64	8.40	-19.79
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=C(F)C=C1O	REAL300019187458	1	38	0.0	-46.02	316.73	7.49	-38.53
CSCC1=CN=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187459	1	40	0.0	-42.08	343.94	9.33	-32.75
CSCC1=CN=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187459	1	40	0.0	-43.29	335.73	8.85	-34.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)C=CC=C1N1CCOCC1	REAL300019187460	0	50	0.0	-30.36	377.01	9.48	-20.88
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)C=CC=C1N1CCOCC1	REAL300019187460	1	50	0.0	-39.17	386.56	9.84	-29.33
CC1CN(C2=CC=CC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCO1	REAL300019187461	0	53	0.0	-42.45	397.96	10.63	-31.82
CC1CN(C2=CC=CC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCO1	REAL300019187461	1	53	0.0	-42.28	391.54	10.03	-32.25
CC(C)(C)OC(=O)NC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])CC(F)(F)F	REAL300019187462	0	53	0.0	-34.68	402.51	10.43	-24.25
CC(C)(C)OC(=O)NC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])CC(F)(F)F	REAL300019187462	1	53	0.0	-36.31	397.11	9.93	-26.38
CC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300019187463	0	43	0.0	-59.69	355.26	12.39	-47.30
CC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])SC2=C(Cl)C=CC=C12	REAL300019187463	1	43	0.0	-42.82	355.46	12.28	-30.54
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(I)S1	REAL300019187464	0	34	0.0	-43.39	303.40	10.02	-33.37
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(I)S1	REAL300019187464	1	34	0.0	-45.14	310.54	10.45	-34.69
CC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300019187465	0	43	0.0	-51.57	340.37	11.53	-40.04
CC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC(F)=CC(F)=C1	REAL300019187465	1	43	0.0	-52.33	333.94	11.17	-41.16
COC1=CC=CC2=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=CC=C12	REAL300019187466	0	47	0.0	-54.64	355.08	11.41	-43.23
COC1=CC=CC2=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=CC=C12	REAL300019187466	1	47	0.0	-33.34	348.71	11.18	-22.16
CC(C)(C)OC(=O)NCC(C)(C)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187467	0	56	0.0	-50.35	402.68	9.00	-41.35
CC(C)(C)OC(=O)NCC(C)(C)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187467	1	56	0.0	-42.72	394.37	8.67	-34.05
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(F)=C1Br	REAL300019187468	0	37	0.0	-29.71	301.44	10.10	-19.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(F)=C1Br	REAL300019187468	1	37	0.0	-27.17	303.32	10.33	-16.84
COC1=CC2=CC=CC=C2C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187469	0	47	0.0	-41.91	359.87	11.94	-29.97
COC1=CC2=CC=CC=C2C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187469	1	47	0.0	-42.52	358.16	11.36	-31.16
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC2=CC=CC=C21	REAL300019187470	0	47	0.0	-46.06	365.93	11.72	-34.34
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC2=CC=CC=C21	REAL300019187470	1	47	0.0	-45.69	357.45	11.28	-34.41
COC(=O)CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187471	0	42	0.0	-60.16	344.39	7.65	-52.51
COC(=O)CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187471	1	42	0.0	-54.94	337.24	7.27	-47.67
CC(C)(C)OC(=O)NC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187472	0	54	0.0	-47.20	413.17	10.32	-36.88
CC(C)(C)OC(=O)NC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187472	1	54	0.0	-47.46	404.34	9.88	-37.58
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC2=C1OCO2	REAL300019187473	0	44	0.0	-51.77	347.11	8.06	-43.71
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC2=C1OCO2	REAL300019187473	1	44	0.0	-50.70	338.59	7.61	-43.09
CCCOC1=C(Cl)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187474	0	51	0.0	-48.75	411.67	11.61	-37.14
CCCOC1=C(Cl)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187474	1	51	0.0	-49.22	405.02	11.26	-37.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2C=CN=C2)C=C1	REAL300019187475	0	44	0.0	-51.52	339.01	12.05	-39.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2C=CN=C2)C=C1	REAL300019187475	1	44	0.0	-51.85	347.49	12.49	-39.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=C2OCCOC2=C1	REAL300019187476	0	43	0.0	-47.31	343.52	9.36	-37.95
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=C2OCCOC2=C1	REAL300019187476	1	43	0.0	-47.79	350.09	9.71	-38.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1	REAL300019187477	0	51	0.0	-47.10	411.02	13.47	-33.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2=CC=C(Cl)C=C2)C=C1	REAL300019187477	1	51	0.0	-46.59	419.54	13.91	-32.68
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300019187478	0	52	0.0	-50.10	420.37	12.25	-37.85
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=CS1	REAL300019187478	1	52	0.0	-49.00	413.76	11.91	-37.09
CCCCCCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187479	0	62	0.0	-44.62	471.88	15.04	-29.58
CCCCCCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187479	1	62	0.0	-44.67	463.37	14.59	-30.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C2C=CC=CC2=CC2=CC=CC=C21	REAL300019187480	0	49	0.0	-31.40	359.15	13.73	-17.67
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C2C=CC=CC2=CC2=CC=CC=C21	REAL300019187480	1	49	0.0	-40.71	372.37	14.19	-26.52
CCN(CC)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187481	0	51	0.0	-42.66	384.42	12.31	-30.35
CCN(CC)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187481	1	51	0.0	-42.18	378.17	11.96	-30.22
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C=C1	REAL300019187482	0	37	0.0	-45.86	304.65	10.28	-35.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C=C1	REAL300019187482	1	37	0.0	-46.03	312.83	10.74	-35.29
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1OC	REAL300019187483	0	49	0.0	-50.32	383.43	9.24	-41.08
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1OC	REAL300019187483	1	49	0.0	-49.71	374.93	8.79	-40.92
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OC(F)F	REAL300019187484	0	41	0.0	-43.62	322.55	9.36	-34.26
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OC(F)F	REAL300019187484	1	41	0.0	-42.62	323.61	9.93	-32.69
COC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC	REAL300019187485	0	45	0.0	-47.12	344.17	9.20	-37.92
COC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1OC	REAL300019187485	1	45	0.0	-42.45	343.41	8.97	-33.48
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OC)=C1	REAL300019187486	0	45	0.0	-41.72	343.68	8.97	-32.75
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OC)=C1	REAL300019187486	1	45	0.0	-42.72	342.11	8.38	-34.34
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Cl)C(Cl)=C1	REAL300019187487	0	37	0.0	-48.25	314.93	10.63	-37.62
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Cl)C(Cl)=C1	REAL300019187487	1	37	0.0	-47.20	323.46	11.08	-36.12
CCN(CC1=CC=CC=C1)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187488	0	58	0.0	-43.19	441.57	15.24	-27.95
CCN(CC1=CC=CC=C1)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187488	1	58	0.0	-43.87	433.07	14.79	-29.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC(F)F)C=C1	REAL300019187489	0	41	0.0	-46.45	322.26	9.24	-37.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC(F)F)C=C1	REAL300019187489	1	41	0.0	-47.70	330.79	9.69	-38.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C2C=CC=CC2=C(Cl)C2=CC=CC=C21	REAL300019187490	0	49	0.0	-30.40	370.66	14.05	-16.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C2C=CC=CC2=C(Cl)C2=CC=CC=C21	REAL300019187490	1	49	0.0	-43.35	384.31	14.53	-28.82
CCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187491	0	50	0.0	-44.72	385.89	11.92	-32.80
CCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187491	1	50	0.0	-44.88	377.37	11.47	-33.41
CC(C)CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187492	0	53	0.0	-44.66	403.45	12.44	-32.22
CC(C)CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187492	1	53	0.0	-45.00	395.28	11.98	-33.02
CCCCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187493	0	56	0.0	-44.61	428.88	13.48	-31.13
CCCCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187493	1	56	0.0	-44.63	420.37	13.03	-31.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300019187494	0	48	0.0	-46.47	372.35	12.50	-33.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OC2=CC=CC=C2)=C1	REAL300019187494	1	48	0.0	-48.98	381.52	12.98	-36.00
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(C(F)(F)F)=C1	REAL300019187495	0	40	0.0	-46.25	321.77	10.66	-35.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(C(F)(F)F)=C1	REAL300019187495	1	40	0.0	-48.64	328.38	11.01	-37.63
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OC)=C1OC	REAL300019187496	0	49	0.0	-46.58	384.86	9.42	-37.16
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OC)=C1OC	REAL300019187496	1	49	0.0	-45.34	376.43	8.92	-36.42
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300019187497	0	55	0.0	-49.91	430.14	13.18	-36.73
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=CC=C1	REAL300019187497	1	55	0.0	-48.83	423.49	12.84	-35.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300019187498	0	51	0.0	-46.50	394.28	12.95	-33.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300019187498	1	51	0.0	-46.24	402.80	13.40	-32.84
COC1=CC=C(Br)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187499	0	41	0.0	-41.57	335.27	10.27	-31.30
COC1=CC=C(Br)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187499	1	41	0.0	-41.43	333.96	9.70	-31.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300019187500	0	47	0.0	-45.20	357.22	13.08	-32.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2)C=C1	REAL300019187500	1	47	0.0	-45.62	364.11	13.46	-32.16
COC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300019187501	0	47	0.0	-38.97	357.05	11.41	-27.56
COC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2C=C1	REAL300019187501	1	47	0.0	-32.54	348.01	11.01	-21.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)C=CC=C1Cl	REAL300019187502	0	37	0.0	-29.23	303.89	10.38	-18.85
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)C=CC=C1Cl	REAL300019187502	1	37	0.0	-38.17	313.23	10.71	-27.46
COC1=CC(OC)=C(OC)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187503	0	49	0.0	-44.35	371.99	8.84	-35.51
COC1=CC(OC)=C(OC)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187503	1	49	0.0	-44.51	371.27	8.28	-36.23
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187504	0	53	0.0	-42.38	422.92	13.56	-28.82
CC1=NN(C2=CC(C)=CC=C2C)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187504	1	53	0.0	-42.26	414.43	13.13	-29.13
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300019187505	0	43	0.0	-42.80	366.70	11.22	-31.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC(C2=CC=C(Cl)C=C2)=N1	REAL300019187505	1	43	0.0	-45.68	373.33	11.42	-34.26
CCCCN1N=C(C)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Cl	REAL300019187506	0	49	0.0	-42.68	390.52	11.00	-31.68
CCCCN1N=C(C)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Cl	REAL300019187506	1	49	0.0	-32.47	382.64	10.66	-21.81
CC(C)(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])OC1=CC=CC=C1	REAL300019187507	0	47	0.0	-39.79	341.80	10.74	-29.05
CC(C)(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])OC1=CC=CC=C1	REAL300019187507	1	47	0.0	-36.94	332.05	10.03	-26.91
COC(CC1=CC=CC=C1)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187508	0	47	0.0	-46.06	358.81	10.53	-35.53
COC(CC1=CC=CC=C1)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187508	1	47	0.0	-43.69	348.56	10.37	-33.32
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(I)C=C1	REAL300019187509	0	37	0.0	-45.73	311.14	10.76	-34.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(I)C=C1	REAL300019187509	1	37	0.0	-45.90	319.32	11.21	-34.69
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NC2=C(Br)C=CC=C12	REAL300019187510	0	42	0.0	-49.38	341.76	10.72	-38.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NC2=C(Br)C=CC=C12	REAL300019187510	1	42	0.0	-62.94	342.38	10.86	-52.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300019187511	0	51	0.0	-49.84	408.01	12.11	-37.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNC(C(=O)OCC2=CC=CC=C2)=C1	REAL300019187511	1	51	0.0	-49.07	415.56	12.53	-36.54
CN(CC1=CC=CS1)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187512	0	52	0.0	-43.53	413.37	13.52	-30.01
CN(CC1=CC=CS1)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187512	1	52	0.0	-43.28	405.17	13.07	-30.21
CC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300019187513	0	47	0.0	-42.66	369.31	11.91	-30.75
CC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N2C(C3CC3)=CSC2=N1	REAL300019187513	1	47	0.0	-33.28	358.20	11.50	-21.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)N=C(N2CCOCC2)S1	REAL300019187514	0	46	0.0	-43.58	373.83	7.37	-36.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)N=C(N2CCOCC2)S1	REAL300019187514	1	46	0.0	-41.74	374.67	7.57	-34.17
CCOP(=O)(CCC[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])OCC	REAL300019187515	0	50	0.0	-46.81	396.14	9.94	-36.87
CCOP(=O)(CCC[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])OCC	REAL300019187515	1	50	0.0	-48.35	390.03	9.60	-38.75
CC(C)(C)CCC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])NC(=O)OC(C)(C)C	REAL300019187516	0	65	0.0	-46.44	467.69	11.23	-35.21
CC(C)(C)CCC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])NC(=O)OC(C)(C)C	REAL300019187516	1	65	0.0	-45.61	461.06	10.78	-34.83
CC1=CC(Br)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187517	0	40	0.0	-44.82	337.35	11.55	-33.27
CC1=CC(Br)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187517	1	40	0.0	-30.87	333.41	11.25	-19.62
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300019187518	0	43	0.0	-45.87	357.94	10.98	-34.89
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=C(F)C=CC=C2F)S1	REAL300019187518	1	43	0.0	-46.66	364.79	11.35	-35.31
CC(C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300019187519	0	49	0.0	-57.00	389.14	8.84	-48.16
CC(C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-])C1=CC=C(S(C)(=O)=O)C=C1	REAL300019187519	1	49	0.0	-44.51	375.37	8.21	-36.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC(Cl)=CN=C2O1	REAL300019187520	0	39	0.0	-47.20	325.61	7.78	-39.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC(Cl)=CN=C2O1	REAL300019187520	1	39	0.0	-50.99	331.49	8.12	-42.87
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=CC=CC=C2F)S1	REAL300019187521	0	43	0.0	-44.02	353.81	10.76	-33.26
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=CC=CC=C2F)S1	REAL300019187521	1	43	0.0	-45.23	359.59	11.08	-34.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(Br)=C1F	REAL300019187522	0	37	0.0	-28.43	303.96	10.22	-18.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(Br)=C1F	REAL300019187522	1	37	0.0	-42.59	312.79	10.57	-32.02
COC1=CC=CC(SC2=CC=CC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187523	0	52	0.0	-46.86	410.92	13.19	-33.67
COC1=CC=CC(SC2=CC=CC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187523	1	52	0.0	-44.28	407.40	12.90	-31.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300019187524	0	49	0.0	-45.01	394.18	12.25	-32.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(CCC2=CC=CC=C2)S1	REAL300019187524	1	49	0.0	-45.39	401.40	12.62	-32.77
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C2OCCCCOC2=C1	REAL300019187525	0	49	0.0	-46.70	361.97	10.60	-36.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C2OCCCCOC2=C1	REAL300019187525	1	49	0.0	-47.64	368.68	10.90	-36.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC(Br)=C1	REAL300019187526	0	37	0.0	-46.35	310.70	10.33	-36.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC(Br)=C1	REAL300019187526	1	37	0.0	-46.79	317.34	10.70	-36.09
CC(C)COC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187527	0	50	0.0	-38.45	365.10	11.61	-26.84
CC(C)COC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187527	1	50	0.0	-40.43	376.30	11.51	-28.92
CC1=CC=CC=C1C1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187528	0	50	0.0	-36.11	363.06	13.10	-23.01
CC1=CC=CC=C1C1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187528	1	50	0.0	-31.63	372.73	13.83	-17.80
CS(=O)(=O)C1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187529	0	43	0.0	-54.16	352.02	7.61	-46.55
CS(=O)(=O)C1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187529	1	43	0.0	-50.56	343.69	7.17	-43.39
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1C1CCCC1	REAL300019187530	0	47	0.0	-33.65	338.18	9.74	-23.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1C1CCCC1	REAL300019187530	1	47	0.0	-44.90	358.32	10.55	-34.35
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300019187531	0	47	0.0	-48.50	378.66	11.38	-37.12
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=C(F)C=C2)=N1	REAL300019187531	1	47	0.0	-48.89	366.70	11.11	-37.78
CC(C)(C)OC(=O)N1CC(CC[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187532	0	54	0.0	-58.15	408.93	10.27	-47.88
CC(C)(C)OC(=O)N1CC(CC[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187532	1	54	0.0	-58.75	402.17	9.78	-48.97
CC1=CC(Br)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187533	0	37	0.0	-38.32	318.03	10.40	-27.92
CC1=CC(Br)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187533	1	37	0.0	-39.35	316.06	10.15	-29.20
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(C2=CC=CC=C2)N=C2SC=CN21	REAL300019187534	0	47	0.0	-43.26	375.11	12.54	-30.72
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(C2=CC=CC=C2)N=C2SC=CN21	REAL300019187534	1	47	0.0	-45.91	384.33	13.12	-32.79
NS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187535	1	39	0.0	-54.82	329.28	3.27	-51.55
NS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187535	1	39	0.0	-50.87	323.71	2.94	-47.93
CC(C)(C)OC(=O)NC(CC(F)F)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187536	0	53	0.0	-50.37	403.26	9.06	-41.31
CC(C)(C)OC(=O)NC(CC(F)F)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187536	1	53	0.0	-34.02	392.01	9.73	-24.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC=CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300019187537	0	55	0.0	-50.15	428.22	14.37	-35.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC=CC1=CC=C(OCC2=CC=CC=C2)C=C1	REAL300019187537	1	55	0.0	-48.81	435.10	14.76	-34.05
CC1=CC(F)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187538	0	40	0.0	-38.42	326.12	10.99	-27.43
CC1=CC(F)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187538	1	40	0.0	-32.10	319.11	10.66	-21.44
COC1=CC=C(C2=CC=CC=C2C)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187539	0	54	0.0	-47.81	409.39	13.39	-34.42
COC1=CC=C(C2=CC=CC=C2C)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187539	1	54	0.0	-41.43	408.60	13.16	-28.27
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NC=C1Br	REAL300019187540	0	36	0.0	-43.54	296.60	8.49	-35.05
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NC=C1Br	REAL300019187540	1	36	0.0	-45.46	304.92	9.02	-36.44
CC1=CC(O)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187541	0	41	0.0	-41.42	331.70	8.25	-33.17
CC1=CC(O)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187541	1	41	0.0	-32.90	322.56	7.86	-25.04
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC2=C1OC(F)(F)O2	REAL300019187542	0	40	0.0	-47.90	324.10	8.80	-39.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC2=C1OC(F)(F)O2	REAL300019187542	1	40	0.0	-43.43	326.24	9.21	-34.22
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(=O)CC	REAL300019187543	0	53	0.0	-51.29	419.18	12.76	-38.53
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC(=O)CC	REAL300019187543	1	53	0.0	-51.19	410.66	12.30	-38.89
CS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187544	1	40	0.0	-53.40	345.19	6.84	-46.56
CS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187544	1	40	0.0	-50.76	337.59	6.41	-44.35
CC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300019187545	0	43	0.0	-48.10	345.96	11.62	-36.48
CC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1C(F)(F)F	REAL300019187545	1	43	0.0	-47.62	337.45	11.18	-36.44
CS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187546	1	40	0.0	-54.32	336.19	5.89	-48.43
CS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187546	1	40	0.0	-50.68	330.40	5.53	-45.15
CN(C)C(=O)C1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187547	0	47	0.0	-47.08	360.88	9.94	-37.14
CN(C)C(=O)C1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187547	1	47	0.0	-36.61	348.30	9.93	-26.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC2=CC([N+](=O)[O-])=CC=C2O1	REAL300019187548	0	41	0.0	-49.65	336.62	7.43	-42.22
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC2=CC([N+](=O)[O-])=CC=C2O1	REAL300019187548	1	41	0.0	-48.51	343.48	7.87	-40.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C=C1I	REAL300019187549	0	37	0.0	-29.29	307.84	10.53	-18.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C=C1I	REAL300019187549	1	37	0.0	-31.62	312.73	11.12	-20.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300019187550	0	57	0.0	-41.29	425.85	13.90	-27.39
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(C2=CC=CC=C2)N(C2CCCC2)N=C1	REAL300019187550	1	57	0.0	-41.13	435.51	14.09	-27.04
CC(C1=NC=CC2=CC=CC=C21)[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187551	0	45	0.0	-47.35	340.88	10.88	-36.47
CC(C1=NC=CC2=CC=CC=C21)[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187551	1	45	0.0	-32.18	329.42	10.63	-21.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C2N=CC(Br)=CN2N=C1	REAL300019187552	0	39	0.0	-43.94	329.73	9.28	-34.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C2N=CC(Br)=CN2N=C1	REAL300019187552	1	39	0.0	-42.79	331.54	9.81	-32.98
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCCCCO	REAL300019187553	0	51	0.0	-41.64	390.13	8.81	-32.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCCCCO	REAL300019187553	1	51	0.0	-42.55	389.06	8.27	-34.28
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NN(C2=CC=CC=C2)N=C1	REAL300019187554	0	43	0.0	-44.87	340.22	9.57	-35.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NN(C2=CC=CC=C2)N=C1	REAL300019187554	1	43	0.0	-47.45	347.35	9.95	-37.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2)S1	REAL300019187555	0	44	0.0	-43.10	352.31	12.49	-30.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2)S1	REAL300019187555	1	44	0.0	-44.82	359.91	12.93	-31.89
CC(=O)NC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187556	0	44	0.0	-48.85	347.47	8.96	-39.89
CC(=O)NC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187556	1	44	0.0	-50.62	339.08	8.56	-42.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Cl)C=C1Cl	REAL300019187557	0	37	0.0	-29.16	308.23	10.43	-18.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Cl)C=C1Cl	REAL300019187557	1	37	0.0	-27.60	311.60	10.76	-16.84
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(Cl)=C1Cl	REAL300019187558	0	37	0.0	-29.35	306.66	10.39	-18.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(Cl)=C1Cl	REAL300019187558	1	37	0.0	-27.41	309.61	10.69	-16.72
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1I	REAL300019187559	0	37	0.0	-40.17	306.29	10.70	-29.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1I	REAL300019187559	1	37	0.0	-41.06	313.50	11.15	-29.91
CC1=NN(C2=CC=C(Cl)C=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187560	0	47	0.0	-44.81	397.66	12.46	-32.35
CC1=NN(C2=CC=C(Cl)C=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187560	1	47	0.0	-43.70	389.44	12.05	-31.65
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187561	0	47	0.0	-43.19	382.28	11.95	-31.24
CC1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187561	1	47	0.0	-42.30	373.38	11.53	-30.77
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1	REAL300019187562	0	51	0.0	-43.55	408.60	13.61	-29.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CS1	REAL300019187562	1	51	0.0	-46.02	418.72	13.90	-32.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300019187563	0	54	0.0	-37.69	410.73	14.27	-23.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CC=C1	REAL300019187563	1	54	0.0	-46.13	427.47	14.71	-31.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=CC=C1	REAL300019187564	0	44	0.0	-38.01	331.92	9.57	-28.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=CC=C1	REAL300019187564	1	44	0.0	-46.64	349.25	10.02	-36.62
COC1=CC=C(C(=O)NC2=CC=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=C2)C=C1	REAL300019187565	0	55	0.0	-54.63	430.62	11.31	-43.32
COC1=CC=C(C(=O)NC2=CC=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=C2)C=C1	REAL300019187565	1	55	0.0	-53.91	423.74	11.01	-42.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1	REAL300019187566	0	51	0.0	-50.49	407.23	12.18	-38.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(NC(=O)C2=CC=CC=C2Cl)=C1	REAL300019187566	1	51	0.0	-53.33	416.58	12.61	-40.72
CC1=NN(C2=CC=CC=C2)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187567	0	47	0.0	-47.85	371.57	11.89	-35.96
CC1=NN(C2=CC=CC=C2)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187567	1	47	0.0	-47.22	365.04	11.47	-35.75
N#CCCN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300019187568	0	51	0.0	-43.39	398.25	12.29	-31.10
N#CCCN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300019187568	1	51	0.0	-51.88	413.87	12.67	-39.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC(Cl)=CC=C2Cl)O1	REAL300019187569	0	44	0.0	-43.03	378.72	12.65	-30.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC(Cl)=CC=C2Cl)O1	REAL300019187569	1	44	0.0	-45.75	384.38	12.99	-32.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300019187570	0	53	0.0	-40.16	404.86	12.38	-27.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=CC=C2)N=C1C1=CC=CN=C1	REAL300019187570	1	53	0.0	-41.39	413.77	12.79	-28.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300019187571	0	44	0.0	-44.51	368.10	12.34	-32.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(Br)C=C2)O1	REAL300019187571	1	44	0.0	-46.57	373.67	12.68	-33.89
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2[N+](=O)[O-])O1	REAL300019187572	0	46	0.0	-50.47	387.43	13.51	-36.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2[N+](=O)[O-])O1	REAL300019187572	1	46	0.0	-52.93	392.28	13.80	-39.13
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300019187573	0	44	0.0	-44.42	363.54	12.23	-32.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2)O1	REAL300019187573	1	44	0.0	-46.52	369.11	12.57	-33.95
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300019187574	0	44	0.0	-44.00	363.43	12.25	-31.75
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2Cl)O1	REAL300019187574	1	44	0.0	-46.88	369.10	12.59	-34.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(NC(=O)C2=CC=C(Cl)C=C2)=C1	REAL300019187575	0	51	0.0	-52.65	411.06	12.20	-40.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(NC(=O)C2=CC=C(Cl)C=C2)=C1	REAL300019187575	1	51	0.0	-51.09	417.93	12.52	-38.57
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300019187576	0	54	0.0	-52.88	406.05	12.92	-39.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2CCCCC2)C([N+](=O)[O-])=C1	REAL300019187576	1	54	0.0	-57.37	414.54	13.36	-44.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300019187577	0	54	0.0	-46.05	419.91	15.37	-30.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(CC2=CC=CC=C2)C2=CC=CC=C12	REAL300019187577	1	54	0.0	-43.71	419.53	15.48	-28.23
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187578	0	50	0.0	-42.66	407.32	12.48	-30.18
CC1=NN(CC2=CC=CC=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187578	1	50	0.0	-42.76	398.36	12.03	-30.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300019187579	0	44	0.0	-48.73	353.77	10.26	-38.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=C(Cl)C=C1	REAL300019187579	1	44	0.0	-48.87	365.68	10.56	-38.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2F)O1	REAL300019187580	0	44	0.0	-45.01	354.98	11.82	-33.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2F)O1	REAL300019187580	1	44	0.0	-48.05	360.66	12.15	-35.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C2OC(F)(F)OC2=C1	REAL300019187581	0	40	0.0	-52.11	322.64	8.76	-43.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C2OC(F)(F)OC2=C1	REAL300019187581	1	40	0.0	-53.32	331.13	9.21	-44.11
CCOC(=O)C1=NNC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187582	0	43	0.0	-51.69	350.94	8.13	-43.56
CCOC(=O)C1=NNC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187582	1	43	0.0	-51.52	343.51	7.69	-43.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CN=C1Cl	REAL300019187583	1	36	0.0	-28.71	307.68	8.70	-20.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CN=C1Cl	REAL300019187583	1	36	0.0	-44.71	321.00	9.36	-35.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(OC(F)F)=CC=C1Br	REAL300019187584	0	41	0.0	-32.68	337.52	9.74	-22.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(OC(F)F)=CC=C1Br	REAL300019187584	1	41	0.0	-42.98	346.04	10.22	-32.76
CC1=CC=C(C2=NN(C)C=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187585	0	47	0.0	-46.00	378.35	10.41	-35.59
CC1=CC=C(C2=NN(C)C=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187585	1	47	0.0	-44.83	369.78	10.14	-34.69
NS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187586	0	42	0.0	-55.81	358.90	5.60	-50.21
NS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187586	1	42	0.0	-56.46	350.39	5.16	-51.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300019187587	0	51	0.0	-45.54	404.40	13.16	-32.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OCC2=CC=C(F)C=C2F)=C1	REAL300019187587	1	51	0.0	-46.44	410.67	13.52	-32.92
CN(C)CC1=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187588	0	44	0.0	-43.78	353.71	6.65	-37.13
CN(C)CC1=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187588	1	44	0.0	-41.00	347.42	6.54	-34.46
CC1=NN(C2=CC(C)=CC=C2)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187590	0	50	0.0	-47.94	393.36	12.57	-35.37
CC1=NN(C2=CC(C)=CC=C2)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187590	1	50	0.0	-47.18	385.82	12.20	-34.98
COC1=CC(OC)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187591	0	45	0.0	-45.61	348.99	9.02	-36.59
COC1=CC(OC)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187591	1	45	0.0	-44.82	348.45	8.46	-36.36
COC1=CC(F)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187592	0	45	0.0	-46.04	355.51	9.38	-36.66
COC1=CC(F)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187592	1	45	0.0	-31.37	342.15	8.80	-22.57
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=NC(Cl)=CC=C2S1	REAL300019187593	0	39	0.0	-47.12	333.44	9.81	-37.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=NC(Cl)=CC=C2S1	REAL300019187593	1	39	0.0	-46.70	341.09	10.24	-36.46
CN1N=CC(C(=O)OC(C)(C)C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187594	1	52	0.0	-45.88	395.87	10.15	-35.73
CN1N=CC(C(=O)OC(C)(C)C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187594	1	52	0.0	-29.27	385.40	9.79	-19.48
CC1=NN(C2=CC=CC=C2F)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187595	0	47	0.0	-45.68	365.04	11.49	-34.19
CC1=NN(C2=CC=CC=C2F)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187595	1	47	0.0	-44.41	368.32	11.46	-32.95
CC1=NN(C2=CC=CC=C2Cl)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187596	0	47	0.0	-46.86	378.81	12.24	-34.62
CC1=NN(C2=CC=CC=C2Cl)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187596	1	47	0.0	-46.81	382.43	12.22	-34.59
CC1=NN(C2=CC=C(C)C=C2)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187597	0	50	0.0	-38.80	373.48	11.60	-27.20
CC1=NN(C2=CC=C(C)C=C2)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187597	1	50	0.0	-47.04	385.82	12.20	-34.84
CC(C)(C#N)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187598	0	47	0.0	-49.40	366.23	11.96	-37.44
CC(C)(C#N)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187598	1	47	0.0	-50.49	359.67	11.61	-38.88
COC(=O)C1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C)O1	REAL300019187599	0	43	0.0	-48.15	349.70	9.67	-38.48
COC(=O)C1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C)O1	REAL300019187599	1	43	0.0	-48.20	342.84	9.34	-38.86
COC(=O)C1=C(C)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CN1	REAL300019187600	0	44	0.0	-50.92	350.96	9.11	-41.81
COC(=O)C1=C(C)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CN1	REAL300019187600	1	44	0.0	-50.02	343.46	8.75	-41.27
COC(=O)C=CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187601	0	44	0.0	-50.52	362.03	10.45	-40.07
COC(=O)C=CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187601	1	44	0.0	-48.13	356.11	10.10	-38.03
CC1=CC=C(C2=NC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])S2)C=C1C	REAL300019187602	0	49	0.0	-45.33	395.38	12.35	-32.98
CC1=CC=C(C2=NC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])S2)C=C1C	REAL300019187602	1	49	0.0	-44.39	388.09	11.97	-32.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CN(C(F)F)C1=O	REAL300019187603	0	40	0.0	-46.59	315.90	8.66	-37.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CN(C(F)F)C1=O	REAL300019187603	1	40	0.0	-52.23	328.08	9.08	-43.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CCN(C2=CC=CC=C2)C1	REAL300019187604	0	49	0.0	-49.28	362.28	10.28	-39.00
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CCN(C2=CC=CC=C2)C1	REAL300019187604	1	49	0.0	-48.23	363.63	10.43	-37.80
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187605	0	43	0.0	-53.87	350.87	10.79	-43.08
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187605	1	43	0.0	-55.55	342.34	10.35	-45.20
CN1C=C(C2=NN(C)C=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187606	0	47	0.0	-50.55	375.85	9.16	-41.39
CN1C=C(C2=NN(C)C=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187606	1	47	0.0	-42.04	360.46	8.69	-33.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019187607	0	47	0.0	-49.15	376.28	9.97	-39.18
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC2=CC=C(F)C=C2)N=C1	REAL300019187607	1	47	0.0	-50.66	381.98	10.46	-40.20
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300019187608	0	43	0.0	-46.01	366.45	11.28	-34.73
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=CC=CC(Cl)=C2)S1	REAL300019187608	1	43	0.0	-46.33	373.74	11.66	-34.67
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(C2CCCC2)=C1	REAL300019187609	0	50	0.0	-42.48	367.21	12.86	-29.62
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(C2CCCC2)=C1	REAL300019187609	1	50	0.0	-42.98	375.48	13.29	-29.69
CCCCC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2O1	REAL300019187610	0	52	0.0	-50.81	385.27	12.68	-38.13
CCCCC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2O1	REAL300019187610	1	52	0.0	-42.34	394.00	13.04	-29.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300019187611	0	50	0.0	-53.32	389.93	14.33	-38.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2C=NC3=CC=CC=C32)C=C1	REAL300019187611	1	50	0.0	-54.14	396.50	14.68	-39.46
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187612	0	50	0.0	-57.97	375.03	11.26	-46.71
CC1=NN(C2=CC=C(F)C=C2)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187612	1	50	0.0	-46.71	381.02	11.66	-35.05
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=C2OCCCOC2=C1	REAL300019187613	0	46	0.0	-49.35	361.90	10.15	-39.20
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=C2OCCCOC2=C1	REAL300019187613	1	46	0.0	-49.60	368.51	10.50	-39.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300019187614	0	51	0.0	-44.56	407.44	13.50	-31.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OCC2=CC=CC=C2Cl)=C1	REAL300019187614	1	51	0.0	-45.85	413.71	13.87	-31.98
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187615	0	47	0.0	-44.71	396.05	12.39	-32.32
CC1=NN(C2=CC=CC(Cl)=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187615	1	47	0.0	-44.51	389.42	12.02	-32.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2)O1	REAL300019187616	0	44	0.0	-43.15	346.51	11.70	-31.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2)O1	REAL300019187616	1	44	0.0	-45.56	352.43	12.05	-33.51
CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187617	0	42	0.0	-50.69	337.71	11.38	-39.31
CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187617	1	42	0.0	-51.46	329.67	10.95	-40.51
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187618	0	50	0.0	-43.95	413.45	12.52	-31.43
CC1=NN(CC2=CC=C(F)C=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187618	1	50	0.0	-44.13	405.17	12.10	-32.03
COC1=C2OC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC2=CC=C1	REAL300019187619	0	44	0.0	-48.33	348.44	9.90	-38.43
COC1=C2OC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC2=CC=C1	REAL300019187619	1	44	0.0	-45.26	343.65	9.61	-35.65
CC(C)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187620	0	48	0.0	-50.89	376.54	12.61	-38.28
CC(C)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187620	1	48	0.0	-51.64	368.45	12.18	-39.46
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187621	0	53	0.0	-31.27	403.75	12.37	-18.90
CC1=NN(CC2=CC=CC=C2)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187621	1	53	0.0	-36.91	399.98	12.14	-24.77
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187622	0	53	0.0	-32.54	415.30	12.70	-19.84
CC1=NN(CC2=CC=CC=C2Cl)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187622	1	53	0.0	-46.09	411.45	12.43	-33.66
CC1=NN(C2=CC=CC=C2)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187623	0	50	0.0	-35.51	378.08	11.86	-23.65
CC1=NN(C2=CC=CC=C2)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187623	1	50	0.0	-35.54	375.29	11.67	-23.87
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187624	0	56	0.0	-31.17	425.20	13.05	-18.12
CC1=NN(CC2=CC=C(C)C=C2)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187624	1	56	0.0	-37.01	421.39	12.82	-24.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(CSC(F)F)O1	REAL300019187625	0	41	0.0	-44.63	346.88	10.38	-34.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(CSC(F)F)O1	REAL300019187625	1	41	0.0	-46.48	351.76	10.68	-35.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=CC=C2)N=C1	REAL300019187626	0	44	0.0	-48.48	343.24	10.87	-37.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=CC=C2)N=C1	REAL300019187626	1	44	0.0	-47.88	349.27	11.19	-36.69
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(CC2=CC=CC=C2)N=C1	REAL300019187627	0	47	0.0	-47.72	368.78	11.32	-36.40
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(CC2=CC=CC=C2)N=C1	REAL300019187627	1	47	0.0	-47.05	375.68	11.73	-35.32
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300019187628	0	44	0.0	-44.06	367.86	12.32	-31.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC(Br)=C2)O1	REAL300019187628	1	44	0.0	-45.78	373.71	12.67	-33.11
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300019187629	0	44	0.0	-44.27	369.03	13.02	-31.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(Cl)C=C2)S1	REAL300019187629	1	44	0.0	-46.06	376.63	13.45	-32.61
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300019187630	0	53	0.0	-60.05	422.02	7.08	-52.97
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(OC)=C1OCC(N)=O	REAL300019187630	1	53	0.0	-57.60	413.51	6.63	-50.97
CCC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2O1	REAL300019187631	0	46	0.0	-41.65	353.14	11.91	-29.74
CCC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2O1	REAL300019187631	1	46	0.0	-30.43	349.40	11.55	-18.88
COC1=CC=C(C2=NC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)C=C1	REAL300019187632	0	47	0.0	-45.69	386.05	10.21	-35.48
COC1=CC=C(C2=NC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)C=C1	REAL300019187632	1	47	0.0	-43.23	379.40	10.02	-33.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300019187633	0	51	0.0	-46.06	397.99	13.11	-32.95
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2=CC=CC=C2F)C=C1	REAL300019187633	1	51	0.0	-46.79	404.93	13.49	-33.30
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300019187634	0	49	0.0	-58.05	406.92	7.82	-50.23
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(Cl)=C1OCC(N)=O	REAL300019187634	1	49	0.0	-58.34	400.30	7.47	-50.87
NC(=O)COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187635	0	45	0.0	-53.92	359.62	7.52	-46.40
NC(=O)COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187635	1	45	0.0	-55.42	351.11	7.07	-48.35
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300019187636	0	56	0.0	-50.56	434.75	11.26	-39.30
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=C3OCCCOC3=C2)=N1	REAL300019187636	1	56	0.0	-52.20	422.80	10.99	-41.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2=CC=CC(F)=C2)C=C1	REAL300019187637	0	51	0.0	-48.17	400.70	13.01	-35.16
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2=CC=CC(F)=C2)C=C1	REAL300019187637	1	51	0.0	-47.85	407.63	13.41	-34.44
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(O)C(C(C)(C)C)=C1	REAL300019187638	0	54	0.0	-53.18	394.13	9.24	-43.94
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(O)C(C(C)(C)C)=C1	REAL300019187638	1	54	0.0	-42.49	393.42	9.00	-33.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OC2CC2)=C1F	REAL300019187639	0	45	0.0	-45.90	350.69	10.72	-35.18
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OC2CC2)=C1F	REAL300019187639	1	45	0.0	-42.40	352.05	10.94	-31.46
CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187640	0	47	0.0	-43.58	357.59	10.94	-32.64
CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187640	1	47	0.0	-32.06	346.09	10.43	-21.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(F)=C1OC(F)F	REAL300019187641	0	41	0.0	-37.79	321.12	9.58	-28.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(F)=C1OC(F)F	REAL300019187641	1	41	0.0	-43.86	329.49	9.98	-33.88
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC=C1OC(F)F	REAL300019187642	0	41	0.0	-44.36	328.85	9.39	-34.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC=C1OC(F)F	REAL300019187642	1	41	0.0	-45.43	330.35	10.02	-35.41
CCC1=C2OC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC2=CC=C1	REAL300019187643	0	46	0.0	-46.06	362.61	12.07	-33.99
CCC1=C2OC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC2=CC=C1	REAL300019187643	1	46	0.0	-43.24	357.06	11.76	-31.48
CC1=C(Br)C=NC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187644	0	39	0.0	-45.75	321.64	9.49	-36.26
CC1=C(Br)C=NC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187644	1	39	0.0	-31.58	308.78	8.95	-22.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(F)C=NC=C1Br	REAL300019187645	1	36	0.0	-31.21	296.80	8.34	-22.87
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(F)C=NC=C1Br	REAL300019187645	1	36	0.0	-39.81	303.19	8.62	-31.19
COC1=NSC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187646	1	37	0.0	-41.94	321.63	6.40	-35.54
COC1=NSC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187646	1	37	0.0	-43.16	321.58	6.23	-36.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC(Br)=CC=C2O1	REAL300019187647	0	40	0.0	-44.85	335.36	10.94	-33.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC(Br)=CC=C2O1	REAL300019187647	1	40	0.0	-46.92	341.24	11.29	-35.63
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187648	0	43	0.0	-51.62	358.85	11.16	-40.46
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187648	1	43	0.0	-53.13	350.32	10.71	-42.42
CCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187649	0	50	0.0	-43.41	379.08	11.74	-31.67
CCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187649	1	50	0.0	-31.84	367.59	11.24	-20.60
CN1N=CC(C(F)(F)F)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187650	1	40	0.0	-46.85	324.39	8.47	-38.38
CN1N=CC(C(F)(F)F)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187650	1	40	0.0	-37.31	313.99	8.13	-29.18
CN1N=CC(C2CCC2)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187651	0	47	0.0	-44.47	354.62	10.08	-34.39
CN1N=CC(C2CCC2)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187651	1	47	0.0	-43.48	343.67	9.50	-33.98
CC1=CC(O)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187652	0	41	0.0	-26.80	314.70	8.96	-17.84
CC1=CC(O)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187652	1	41	0.0	-45.52	329.12	8.08	-37.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC2CCOC2)C=C1	REAL300019187653	0	49	0.0	-47.35	369.23	9.32	-38.03
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC2CCOC2)C=C1	REAL300019187653	1	49	0.0	-46.49	375.77	9.69	-36.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C(F)(F)F)O1	REAL300019187654	0	37	0.0	-45.51	308.27	9.17	-36.34
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C(F)(F)F)O1	REAL300019187654	1	37	0.0	-48.48	314.10	9.52	-38.96
CN1C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CN=C1Br	REAL300019187655	1	37	0.0	-47.32	313.19	9.02	-38.30
CN1C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CN=C1Br	REAL300019187655	1	37	0.0	-47.19	298.71	8.35	-38.84
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(C(F)(F)F)N=C2CCCCN12	REAL300019187656	0	47	0.0	-43.65	354.43	10.28	-33.37
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(C(F)(F)F)N=C2CCCCN12	REAL300019187656	1	47	0.0	-47.93	365.82	10.88	-37.05
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1CC1C1=CC=C(F)C=C1	REAL300019187657	0	44	0.0	-52.18	336.63	11.70	-40.48
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1CC1C1=CC=C(F)C=C1	REAL300019187657	1	44	0.0	-50.91	342.69	12.03	-38.88
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCC1=CC=CC(OC(F)(F)F)=C1	REAL300019187658	0	44	0.0	-53.48	352.85	10.33	-43.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCC1=CC=CC(OC(F)(F)F)=C1	REAL300019187658	1	44	0.0	-52.69	359.42	10.73	-41.96
CC(C)(C)OC(=O)N1CC2CC1(C[N@@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])C2	REAL300019187659	0	55	0.0	-39.95	391.64	10.27	-29.68
CC(C)(C)OC(=O)N1CC2CC1(C[N@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])C2	REAL300019187659	1	55	0.0	-43.85	393.02	10.27	-33.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C=C1O	REAL300019187660	0	38	0.0	-44.05	316.19	8.11	-35.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C=C1O	REAL300019187660	1	38	0.0	-44.18	315.59	7.56	-36.62
COCC(C)OC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187661	0	51	0.0	-47.69	391.32	10.24	-37.45
COCC(C)OC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187661	1	51	0.0	-46.86	386.31	9.94	-36.92
CN1N=C(C(F)(F)F)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187662	1	40	0.0	-49.74	332.80	8.55	-41.19
CN1N=C(C(F)(F)F)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187662	1	40	0.0	-49.56	319.78	7.97	-41.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1C1=CC=NC=C1	REAL300019187663	0	43	0.0	-43.73	330.03	8.46	-35.27
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1C1=CC=NC=C1	REAL300019187663	1	43	0.0	-47.65	343.58	9.26	-38.39
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CS2)C=C1	REAL300019187664	0	44	0.0	-45.53	350.39	12.28	-33.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CS2)C=C1	REAL300019187664	1	44	0.0	-45.52	357.27	12.67	-32.85
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300019187665	0	51	0.0	-29.70	396.73	13.23	-16.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC1=CC=C(F)C=C1F	REAL300019187665	1	51	0.0	-42.15	402.89	13.68	-28.47
COC1=CC=C(C2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC3=C2OCO3)C=N1	REAL300019187666	0	53	0.0	-55.75	423.51	9.04	-46.71
COC1=CC=C(C2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC3=C2OCO3)C=N1	REAL300019187666	1	53	0.0	-52.08	416.93	8.67	-43.41
COC(=O)C1=C(C)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187667	0	43	0.0	-51.17	348.53	9.69	-41.48
COC(=O)C1=C(C)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187667	1	43	0.0	-47.30	341.82	9.32	-37.98
CC(C)(C)C1(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCN(CC2=CC=CC=C2)C1	REAL300019187668	1	64	0.0	-40.25	423.94	11.75	-28.50
CC(C)(C)C1(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])CCN(CC2=CC=CC=C2)C1	REAL300019187668	1	64	0.0	-33.29	397.49	10.54	-22.75
COC(=O)C1=C2CCCCN2C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187669	0	51	0.0	-48.17	394.70	11.88	-36.29
COC(=O)C1=C2CCCCN2C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187669	1	51	0.0	-33.30	384.47	11.36	-21.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1CCC1=CC=CC=C1	REAL300019187670	0	50	0.0	-31.92	384.30	11.89	-20.03
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1CCC1=CC=CC=C1	REAL300019187670	1	50	0.0	-45.05	389.40	12.31	-32.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(SC(F)(F)F)C=C1	REAL300019187671	0	41	0.0	-46.30	339.48	11.13	-35.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(SC(F)(F)F)C=C1	REAL300019187671	1	41	0.0	-46.47	346.01	11.48	-34.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300019187672	0	47	0.0	-47.95	381.40	11.80	-36.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(CC2=CC=CC=C2Cl)N=C1	REAL300019187672	1	47	0.0	-44.80	390.10	12.14	-32.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OC(F)(F)F	REAL300019187673	0	41	0.0	-43.35	329.72	9.58	-33.77
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OC(F)(F)F	REAL300019187673	1	41	0.0	-40.78	330.66	10.17	-30.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC(F)(F)F)C=C1	REAL300019187674	0	41	0.0	-46.53	329.09	9.46	-37.07
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC(F)(F)F)C=C1	REAL300019187674	1	41	0.0	-46.78	335.59	9.80	-36.98
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187675	0	41	0.0	-28.26	324.37	9.55	-18.71
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187675	1	41	0.0	-30.15	321.00	9.23	-20.92
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C(F)(F)F)C=C1	REAL300019187676	0	40	0.0	-47.85	321.67	10.65	-37.20
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C(F)(F)F)C=C1	REAL300019187676	1	40	0.0	-48.36	328.35	11.01	-37.35
CCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OCCC)=C1	REAL300019187677	0	57	0.0	-40.12	430.07	12.40	-27.72
CCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(OCCC)=C1	REAL300019187677	1	57	0.0	-41.86	428.84	11.83	-30.03
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300019187678	0	51	0.0	-45.46	394.26	12.93	-32.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OCC2=CC=CC=C2)=C1	REAL300019187678	1	51	0.0	-44.11	402.80	13.40	-30.71
CCOC1=C(Br)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187679	0	48	0.0	-48.63	394.56	10.92	-37.71
CCOC1=C(Br)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187679	1	48	0.0	-48.48	387.91	10.58	-37.90
CN(C1=CC=CC=C1)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187680	0	54	0.0	-59.49	427.06	15.06	-44.43
CN(C1=CC=CC=C1)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1[N+](=O)[O-]	REAL300019187680	1	54	0.0	-55.44	418.53	14.62	-40.82
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187681	0	53	0.0	-42.10	428.44	13.13	-28.97
CC1=NN(CC2=CC=C(C)C=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187681	1	53	0.0	-42.34	420.18	12.70	-29.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300019187682	0	46	0.0	-48.04	380.77	11.24	-36.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=NC3=CC=CC=C3S2)O1	REAL300019187682	1	46	0.0	-52.01	386.65	11.59	-40.42
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C=C1F	REAL300019187683	1	37	0.0	-28.47	304.68	10.24	-18.23
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C=C1F	REAL300019187683	1	37	0.0	-42.79	313.47	10.60	-32.19
COC1=CC2=C(C=C1C[N@@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])OC(C)C2	REAL300019187684	0	49	0.0	-41.77	370.73	10.24	-31.53
COC1=CC2=C(C=C1C[N@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])OC(C)C2	REAL300019187684	1	49	0.0	-41.70	369.65	9.67	-32.03
CCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187685	0	51	0.0	-48.27	391.73	10.93	-37.34
CCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187685	1	51	0.0	-47.20	385.12	10.59	-36.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)S1	REAL300019187686	0	34	0.0	-43.62	296.85	9.57	-34.05
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)S1	REAL300019187686	1	34	0.0	-45.33	303.99	9.98	-35.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(C=C1Br)OCO2	REAL300019187687	0	40	0.0	-33.11	324.10	8.82	-24.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(C=C1Br)OCO2	REAL300019187687	1	40	0.0	-44.97	335.46	9.45	-35.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1Br	REAL300019187688	0	37	0.0	-40.84	300.93	10.24	-30.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1Br	REAL300019187688	1	37	0.0	-41.56	308.20	10.72	-30.84
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CSC2=CC=CC=C12	REAL300019187689	0	40	0.0	-43.13	322.12	11.12	-32.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC2=CC=CC=C12	REAL300019187689	1	40	0.0	-43.55	329.85	11.56	-31.99
CC1=CC=C(C2=NNC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187690	0	47	0.0	-46.47	370.38	10.72	-35.75
CC1=CC=C(C2=NNC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187690	1	47	0.0	-47.04	358.32	10.43	-36.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=C(F)C=C1	REAL300019187691	0	44	0.0	-49.37	343.44	9.82	-39.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=C(F)C=C1	REAL300019187691	1	44	0.0	-49.74	355.36	10.11	-39.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=CS1	REAL300019187692	0	41	0.0	-44.31	329.78	8.90	-35.41
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=CS1	REAL300019187692	1	41	0.0	-45.95	340.29	9.18	-36.77
COC1=CC=C(C2=NNC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187693	0	48	0.0	-47.85	378.43	9.34	-38.51
COC1=CC=C(C2=NNC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187693	1	48	0.0	-48.60	366.49	9.05	-39.55
CCOC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=NN1CC(C)C	REAL300019187694	0	56	0.0	-41.94	423.46	10.56	-31.38
CCOC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=NN1CC(C)C	REAL300019187694	1	56	0.0	-41.39	405.59	9.64	-31.75
CC1=CC=C(C2=NNC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187695	0	44	0.0	-46.94	355.78	9.13	-37.81
CC1=CC=C(C2=NNC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])O1	REAL300019187695	1	44	0.0	-45.55	346.97	8.84	-36.71
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2CCCO2)C=C1	REAL300019187696	0	52	0.0	-47.69	391.56	10.17	-37.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2CCCO2)C=C1	REAL300019187696	1	52	0.0	-47.41	398.35	10.75	-36.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2C=NC=N2)C(F)=C1	REAL300019187697	0	43	0.0	-53.21	339.72	12.11	-41.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2C=NC=N2)C(F)=C1	REAL300019187697	1	43	0.0	-53.68	348.22	12.56	-41.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300019187698	0	50	0.0	-31.94	379.40	11.30	-20.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC1=CC=CC=N1	REAL300019187698	1	50	0.0	-41.14	385.45	11.74	-29.40
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC1=CSC=N1	REAL300019187699	0	47	0.0	-32.43	370.11	10.12	-22.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC1=CSC=N1	REAL300019187699	1	47	0.0	-40.61	373.80	10.52	-30.09
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)C=CC(Cl)=C1Cl	REAL300019187700	1	37	0.0	-27.86	319.32	10.86	-17.00
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)C=CC(Cl)=C1Cl	REAL300019187700	1	37	0.0	-39.44	328.60	11.18	-28.26
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019187701	0	47	0.0	-45.68	391.01	13.51	-32.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(C(F)(F)F)C=C2)S1	REAL300019187701	1	47	0.0	-47.41	398.61	13.94	-33.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300019187702	0	44	0.0	-44.88	358.71	12.57	-32.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(F)C=C2)S1	REAL300019187702	1	44	0.0	-46.56	366.31	13.00	-33.56
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300019187703	0	44	0.0	-42.53	369.17	13.01	-29.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2Cl)S1	REAL300019187703	1	44	0.0	-43.79	376.77	13.44	-30.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2F)S1	REAL300019187705	0	44	0.0	-43.14	361.62	12.66	-30.48
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2F)S1	REAL300019187705	1	44	0.0	-44.31	369.26	13.11	-31.20
CCN(CC)C1=NC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187706	0	47	0.0	-43.16	376.71	11.02	-32.14
CCN(CC)C1=NC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187706	1	47	0.0	-42.79	369.64	10.64	-32.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300019187707	0	48	0.0	-53.03	371.07	9.65	-43.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C(=O)NC2CC2)C=C1	REAL300019187707	1	48	0.0	-51.81	377.97	10.03	-41.78
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187708	0	53	0.0	-42.90	417.95	13.03	-29.87
CC(C)C1=NN(C2=CC=CC=C2)C(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187708	1	53	0.0	-41.30	415.33	12.83	-28.47
CNC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187709	0	44	0.0	-51.93	347.99	8.39	-43.54
CNC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187709	1	44	0.0	-53.57	339.48	7.94	-45.63
CCN(C(C)=O)C1=NC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187710	0	46	0.0	-45.91	364.58	9.76	-36.15
CCN(C(C)=O)C1=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187710	1	46	0.0	-50.88	369.63	9.89	-40.99
CCN(C(C)=O)C1=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187710	1	46	0.0	-45.91	364.58	9.76	-36.15
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300019187712	0	50	0.0	-45.94	389.43	11.31	-34.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC1=CC=NC=C1	REAL300019187712	1	50	0.0	-44.07	390.34	11.86	-32.21
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300019187713	0	50	0.0	-45.68	406.03	11.79	-33.89
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC=C1OCC1=CC=CN=C1	REAL300019187713	1	50	0.0	-33.50	390.37	12.39	-21.11
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300019187714	0	44	0.0	-44.25	369.05	13.01	-31.24
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC(Cl)=C2)S1	REAL300019187714	1	44	0.0	-46.64	376.67	13.44	-33.20
CC(C)N1N=CC2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=C(Cl)N=C21	REAL300019187715	0	48	0.0	-49.67	390.31	11.18	-38.49
CC(C)N1N=CC2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=C(Cl)N=C21	REAL300019187715	1	48	0.0	-30.95	378.41	10.59	-20.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300019187716	0	44	0.0	-45.82	384.18	13.46	-32.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C(Cl)C(Cl)=C2)S1	REAL300019187716	1	44	0.0	-48.15	391.81	13.90	-34.25
CC(C)OC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187717	0	47	0.0	-45.57	361.08	10.97	-34.60
CC(C)OC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187717	1	47	0.0	-44.68	352.29	10.51	-34.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC=CC=C2N=C1N1CCOCC1	REAL300019187718	0	55	0.0	-36.52	408.64	10.52	-26.00
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC=CC=C2N=C1N1CCOCC1	REAL300019187718	1	55	0.0	-47.84	421.54	11.02	-36.82
CC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])SC(N2CCCCC2)=N1	REAL300019187719	0	51	0.0	-26.78	366.03	9.29	-17.49
CC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])SC(N2CCCCC2)=N1	REAL300019187719	1	51	0.0	-42.86	386.41	10.03	-32.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1C1CCC2(CC1F)OCCO2	REAL300019187720	0	46	0.0	-40.00	329.31	7.94	-32.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1C1CCC2(CC1F)OCCO2	REAL300019187720	1	46	0.0	-37.12	328.02	8.00	-29.12
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(O)C=CC=C2S1	REAL300019187721	0	41	0.0	-45.86	338.52	8.76	-37.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(O)C=CC=C2S1	REAL300019187721	1	41	0.0	-43.65	332.67	8.41	-35.24
CC(=O)N(C1=NC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300019187722	0	50	0.0	-44.53	402.31	12.08	-32.45
CC(=O)N(C1=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300019187722	1	50	0.0	-50.17	409.27	12.33	-37.84
CC(=O)N(C1=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1)C1=CC=CC=C1	REAL300019187722	1	50	0.0	-44.53	402.31	12.08	-32.45
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(C(F)(F)F)=C1	REAL300019187723	0	44	0.0	-47.44	358.49	10.36	-37.08
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(C(F)(F)F)=C1	REAL300019187723	1	44	0.0	-46.64	351.21	9.95	-36.69
C=CCOC1=C(Cl)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187724	0	49	0.0	-50.04	403.09	11.38	-38.66
C=CCOC1=C(Cl)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187724	1	49	0.0	-49.02	396.47	11.03	-37.99
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC1CC1	REAL300019187725	0	49	0.0	-48.49	379.00	10.89	-37.60
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC1CC1	REAL300019187725	1	49	0.0	-48.10	372.71	10.54	-37.56
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300019187726	0	44	0.0	-34.59	355.15	10.49	-24.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(F)=C1OCC(F)(F)F	REAL300019187726	1	44	0.0	-43.90	358.56	11.01	-32.89
CN(C)C1=CC(F)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187727	0	45	0.0	-43.72	351.85	9.47	-34.25
CN(C)C1=CC(F)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1F	REAL300019187727	1	45	0.0	-31.69	344.31	9.15	-22.54
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=C(Br)S1	REAL300019187728	0	41	0.0	-45.41	351.28	9.61	-35.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=C(Br)S1	REAL300019187728	1	41	0.0	-48.63	361.59	9.90	-38.73
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(F)C=CC(F)=C1Cl	REAL300019187729	0	37	0.0	-41.45	313.73	10.51	-30.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(F)C=CC(F)=C1Cl	REAL300019187729	1	37	0.0	-31.43	303.55	10.07	-21.36
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(F)C=CC(F)=C1Cl	REAL300019187729	1	37	0.0	-41.45	313.73	10.51	-30.94
CC(C)OC1=CC(Cl)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187730	1	47	0.0	-32.07	379.00	11.45	-20.62
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1C1CCOCC1	REAL300019187731	0	48	0.0	-35.03	346.52	7.84	-27.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1C1CCOCC1	REAL300019187731	1	48	0.0	-46.95	368.46	8.78	-38.17
CN(C)C1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CC(F)=C1F	REAL300019187732	0	45	0.0	-48.24	351.85	10.29	-37.95
CN(C)C1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CC(F)=C1F	REAL300019187732	1	45	0.0	-46.97	344.07	9.78	-37.19
CC(C)(C)OC(=O)N1CCCC(C)(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187733	0	60	0.0	-33.14	416.95	11.40	-21.74
CC(C)(C)OC(=O)N1CCCC(C)(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187733	1	60	0.0	-32.76	413.30	11.27	-21.49
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Br)C=NS1	REAL300019187734	0	33	0.0	-41.21	291.33	8.31	-32.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Br)C=NS1	REAL300019187734	1	33	0.0	-41.75	289.52	8.09	-33.66
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Br)C=NS1	REAL300019187734	1	33	0.0	-41.21	291.33	8.31	-32.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300019187735	0	47	0.0	-46.29	376.08	13.64	-32.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2)C(Cl)=C1	REAL300019187735	1	47	0.0	-46.07	384.55	14.09	-31.98
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=CC=C(Br)C(F)=C1F	REAL300019187736	0	37	0.0	-45.91	317.87	10.61	-35.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(Br)C(F)=C1F	REAL300019187736	1	37	0.0	-28.73	310.32	10.27	-18.46
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Br)C(F)=C1F	REAL300019187736	1	37	0.0	-45.91	317.87	10.61	-35.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Br)SC=C1	REAL300019187737	1	34	0.0	-41.61	301.10	9.85	-31.76
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1OC	REAL300019187738	0	48	0.0	-46.24	378.13	10.35	-35.89
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1OC	REAL300019187738	1	48	0.0	-30.99	363.80	9.73	-21.26
CN1C=C(C2=NC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)C=N1	REAL300019187739	1	43	0.0	-45.34	354.63	8.49	-36.85
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300019187741	0	51	0.0	-45.01	401.48	9.24	-35.77
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1CN1C(=O)C2=CC=CC=C2C1=O	REAL300019187741	1	51	0.0	-53.37	409.97	9.64	-43.73
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300019187742	0	41	0.0	-48.42	335.17	9.86	-38.56
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1Cl	REAL300019187742	1	41	0.0	-47.69	328.56	9.52	-38.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=C(F)C=C2)N=N1	REAL300019187743	1	43	0.0	-52.93	352.15	10.05	-42.88
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Br)=N1	REAL300019187744	1	37	0.0	-29.74	300.22	7.73	-22.01
CCOC(=O)C1=C(C)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C)N1	REAL300019187745	0	50	0.0	-45.32	387.94	10.39	-34.93
CCOC(=O)C1=C(C)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C)N1	REAL300019187745	1	50	0.0	-45.90	378.66	9.91	-35.99
COC(=O)C1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2N1	REAL300019187746	0	47	0.0	-42.61	374.05	10.44	-32.17
COC(=O)C1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C2N1	REAL300019187746	1	47	0.0	-35.49	359.14	10.33	-25.16
CCOC(=O)C1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187747	0	45	0.0	-52.23	364.68	9.82	-42.41
CCOC(=O)C1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187747	1	45	0.0	-47.30	357.31	9.65	-37.65
CC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=NC=C1Br	REAL300019187748	1	39	0.0	-42.51	319.54	9.30	-33.21
CC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Br)C=C1F	REAL300019187749	1	40	0.0	-28.74	322.42	10.77	-17.97
CCOC(=O)C1=NC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187750	1	42	0.0	-48.92	347.98	8.57	-40.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(C=CNC2=O)O1	REAL300019187751	0	40	0.0	-52.05	318.89	7.30	-44.75
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(C=CNC2=O)O1	REAL300019187751	1	40	0.0	-51.53	323.67	7.56	-43.97
COC1=CC(CN2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1Br	REAL300019187752	0	41	0.0	-29.11	333.12	9.56	-19.55
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1Br	REAL300019187752	1	41	0.0	-47.47	347.23	10.17	-37.30
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1Br	REAL300019187752	1	41	0.0	-29.11	333.12	9.56	-19.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(Br)=C1Cl	REAL300019187753	1	37	0.0	-27.32	313.81	10.80	-16.52
CC(C)(C)OC(=O)NC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187754	0	52	0.0	-56.93	402.84	8.58	-48.35
CC(C)(C)OC(=O)NC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N=N1	REAL300019187754	1	52	0.0	-51.61	398.08	8.44	-43.17
C[NH+](C)CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=C1OC(F)(F)O2	REAL300019187755	0	51	0.0	-44.88	401.72	8.65	-36.23
C[NH+](C)CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=C1OC(F)(F)O2	REAL300019187755	1	51	0.0	-49.34	401.31	8.23	-41.11
CN(C)CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=C1OC(F)(F)O2	REAL300019187755	1	51	0.0	-44.88	401.72	8.65	-36.23
CN(C)CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=C1OC(F)(F)O2	REAL300019187755	1	51	0.0	-49.34	401.31	8.23	-41.11
COC1=NC=C(Br)C=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187756	0	40	0.0	-42.56	331.82	7.09	-35.47
COC1=NC=C(Br)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187756	1	40	0.0	-31.49	317.47	7.72	-23.77
COC1=NC=C(Br)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187756	1	40	0.0	-42.56	331.82	7.09	-35.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C2=CC=CC=C12	REAL300019187757	0	43	0.0	-32.61	325.95	11.85	-20.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C2=CC=CC=C12	REAL300019187757	1	43	0.0	-45.95	338.05	12.30	-33.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CN=C1Br	REAL300019187758	1	36	0.0	-45.68	302.01	8.76	-36.92
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1CC(F)(F)F	REAL300019187759	0	43	0.0	-45.02	333.85	11.26	-33.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1CC(F)(F)F	REAL300019187759	1	43	0.0	-45.67	337.54	11.64	-34.03
CN(C)C1=CC=C(C#N)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187760	0	46	0.0	-46.26	363.40	10.68	-35.58
CN(C)C1=CC=C(C#N)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187760	1	46	0.0	-46.22	356.35	10.14	-36.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019187761	0	42	0.0	-41.89	335.41	11.52	-30.37
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C(F)(F)F)C=C1[N+](=O)[O-]	REAL300019187761	1	42	0.0	-53.15	346.20	11.68	-41.47
CC(C)(C)OC(=O)N1C2CCC1CC(C[N@@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])C2	REAL300019187763	0	61	0.0	-57.19	436.90	12.18	-45.01
CC(C)(C)OC(=O)N1C2CCC1CC(C[N@H+]1CC3(CC3)C[C@H]1CC(=O)[O-])C2	REAL300019187763	1	61	0.0	-36.35	403.99	10.67	-25.68
CC(C)(C)OC(=O)NC1CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187764	0	54	0.0	-52.09	405.78	8.98	-43.11
CC(C)(C)OC(=O)NC1CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187764	1	54	0.0	-50.80	396.92	8.47	-42.33
NS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1	REAL300019187765	1	42	0.0	-34.96	337.62	4.57	-30.39
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187766	0	54	0.0	-50.52	403.59	8.84	-41.68
CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C1	REAL300019187766	1	54	0.0	-51.26	399.90	8.58	-42.68
CC1=CC=C(C2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])O2)C=C1	REAL300019187767	0	47	0.0	-45.46	373.82	12.73	-32.73
CC1=CC=C(C2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])O2)C=C1	REAL300019187767	1	47	0.0	-43.15	368.22	12.39	-30.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=CN=C1	REAL300019187768	0	43	0.0	-49.54	333.25	7.96	-41.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=CN=C1	REAL300019187768	1	43	0.0	-49.86	343.88	8.21	-41.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2C=NC=N2)C=C1	REAL300019187769	0	43	0.0	-53.36	336.37	12.19	-41.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2C=NC=N2)C=C1	REAL300019187769	1	43	0.0	-52.24	342.90	12.53	-39.71
CC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])SC2=NC(C)=NC(C)=C12	REAL300019187770	0	47	0.0	-66.35	365.13	10.18	-56.17
CC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])SC2=NC(C)=NC(C)=C12	REAL300019187770	1	47	0.0	-47.72	365.38	10.08	-37.64
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300019187771	0	54	0.0	-51.32	425.03	11.42	-39.90
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC1=CC=NC=C1	REAL300019187771	1	54	0.0	-51.16	418.37	11.07	-40.09
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300019187772	0	47	0.0	-44.47	360.85	11.62	-32.85
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC=CC=C12	REAL300019187772	1	47	0.0	-32.89	348.35	11.15	-21.74
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300019187773	0	54	0.0	-52.84	426.63	11.48	-41.36
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC1=CC=CN=C1	REAL300019187773	1	54	0.0	-51.33	418.31	11.06	-40.27
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300019187774	0	50	0.0	-45.91	389.38	11.30	-34.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC1=CC=CN=C1	REAL300019187774	1	50	0.0	-42.30	390.30	11.84	-30.46
CC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300019187775	0	56	0.0	-47.34	437.36	13.21	-34.13
CC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC(C)=C1OCC1=CC=CC=N1	REAL300019187775	1	56	0.0	-47.12	428.79	12.74	-34.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC=C1OC(F)F	REAL300019187776	1	41	0.0	-44.76	340.68	10.46	-34.30
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300019187777	0	50	0.0	-49.08	389.15	11.17	-37.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC2=CC=NC=C2)C=C1	REAL300019187777	1	50	0.0	-48.55	397.68	11.62	-36.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300019187778	0	50	0.0	-46.20	387.07	11.23	-34.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OCC2=CC=CC=N2)=C1	REAL300019187778	1	50	0.0	-47.47	393.31	11.60	-35.87
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300019187779	0	55	0.0	-43.93	423.42	12.71	-31.22
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C2=CC=CC=C2)C=C1OC	REAL300019187779	1	55	0.0	-35.10	411.23	12.32	-22.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2CCCC2)C=C1	REAL300019187780	0	49	0.0	-43.97	361.28	10.19	-33.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2CCCC2)C=C1	REAL300019187780	1	49	0.0	-44.61	369.13	10.59	-34.02
CCCCCCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187781	0	59	0.0	-44.50	450.38	14.26	-30.24
CCCCCCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187781	1	59	0.0	-44.65	441.87	13.81	-30.84
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC(C2=CC=CC=N2)=N1	REAL300019187782	1	42	0.0	-48.87	352.73	9.08	-39.79
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300019187783	0	47	0.0	-53.52	382.54	11.82	-41.70
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(N2C=CC(C(F)(F)F)=N2)C=C1	REAL300019187783	1	47	0.0	-51.76	391.06	12.27	-39.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OCC(F)(F)F)=C1	REAL300019187784	0	44	0.0	-46.28	353.92	10.34	-35.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OCC(F)(F)F)=C1	REAL300019187784	1	44	0.0	-48.17	362.46	10.80	-37.37
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187785	0	50	0.0	-52.19	396.50	12.22	-39.97
CC1=NN(C2=CC=C(F)C=C2F)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187785	1	50	0.0	-36.01	389.03	11.91	-24.10
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187786	0	50	0.0	-57.58	385.33	11.71	-45.87
CC1=NN(C2=CC=C(Cl)C=C2)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187786	1	50	0.0	-46.18	391.35	12.12	-34.06
N#CC1=CC=CC(COC2=CC=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=C2)=C1	REAL300019187787	0	52	0.0	-49.26	415.12	13.32	-35.94
N#CC1=CC=CC(COC2=CC=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=C2)=C1	REAL300019187787	1	52	0.0	-49.73	423.67	13.77	-35.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300019187788	0	44	0.0	-49.65	360.10	11.40	-38.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=C(Cl)C=C2)N=C1	REAL300019187788	1	44	0.0	-50.65	366.85	11.79	-38.86
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300019187789	0	44	0.0	-49.69	364.66	11.51	-38.18
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=C(Br)C=C2)N=C1	REAL300019187789	1	44	0.0	-50.66	371.42	11.89	-38.77
COC1=CC=CC(C2=NNC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187790	0	48	0.0	-48.13	378.44	9.33	-38.80
COC1=CC=CC(C2=NNC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187790	1	48	0.0	-39.94	360.74	8.85	-31.09
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300019187791	0	45	0.0	-49.29	352.37	10.92	-38.37
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=CC=CC=C2)N=C1	REAL300019187791	1	45	0.0	-50.01	360.82	11.39	-38.62
COCCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187792	0	48	0.0	-44.59	376.52	9.61	-34.98
COCCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187792	1	48	0.0	-46.08	367.97	9.15	-36.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300019187793	0	50	0.0	-51.72	382.68	8.90	-42.82
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=C2OCCOC2=C1	REAL300019187793	1	50	0.0	-44.54	384.47	9.02	-35.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC2=C1OCCCO2	REAL300019187794	0	46	0.0	-42.71	346.23	9.72	-32.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC2=C1OCCCO2	REAL300019187794	1	46	0.0	-43.59	352.86	10.13	-33.46
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300019187795	0	47	0.0	-52.45	364.46	8.38	-44.07
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CNN=C1C1=CC=C2OCOC2=C1	REAL300019187795	1	47	0.0	-51.59	375.47	8.71	-42.88
CCCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187796	0	47	0.0	-42.76	364.39	11.14	-31.62
CCCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187796	1	47	0.0	-43.03	355.85	10.68	-32.35
COC1=CC=C(Cl)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187797	0	41	0.0	-41.58	330.70	10.16	-31.42
COC1=CC=C(Cl)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187797	1	41	0.0	-41.45	329.39	9.59	-31.86
CC1=C2C=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=NC2=NN1	REAL300019187798	0	42	0.0	-55.16	335.14	8.60	-46.56
CC1=C2C=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=NC2=NN1	REAL300019187798	1	42	0.0	-56.49	326.12	8.20	-48.29
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300019187799	0	44	0.0	-41.08	389.37	11.83	-29.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300019187799	1	44	0.0	-42.77	388.53	11.64	-31.13
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)N=C(SC2=CC=CC=C2)S1	REAL300019187799	1	44	0.0	-41.08	389.37	11.83	-29.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(N2CCCC2)N=C1	REAL300019187800	0	47	0.0	-48.32	352.19	9.50	-38.82
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(N2CCCC2)N=C1	REAL300019187800	1	47	0.0	-48.91	361.25	9.81	-39.10
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(N2CCOCC2)N=C1	REAL300019187802	0	48	0.0	-49.97	361.69	8.01	-41.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(N2CCOCC2)N=C1	REAL300019187802	1	48	0.0	-50.64	369.07	8.40	-42.24
CC1=NN(C)C2=NC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C12	REAL300019187803	0	45	0.0	-53.55	355.96	9.75	-43.80
CC1=NN(C)C2=NC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C12	REAL300019187803	1	45	0.0	-51.82	349.35	9.34	-42.48
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300019187804	0	47	0.0	-44.44	357.22	13.06	-31.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(C2=CC=CC=C2)=C1	REAL300019187804	1	47	0.0	-45.42	363.82	13.41	-32.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Cl)=CC(Cl)=C1	REAL300019187805	1	37	0.0	-46.06	325.00	11.13	-34.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1C1=CC=CC=C1	REAL300019187806	0	47	0.0	-33.21	352.23	13.13	-20.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1C1=CC=CC=C1	REAL300019187806	1	47	0.0	-40.92	363.40	13.49	-27.43
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(C2=CC=CC=C2)=CS1	REAL300019187807	0	44	0.0	-43.37	350.45	12.29	-31.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(C2=CC=CC=C2)=CS1	REAL300019187807	1	44	0.0	-44.39	358.16	12.74	-31.65
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC2=C1OCCO2	REAL300019187808	0	43	0.0	-43.01	327.42	8.90	-34.11
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC2=C1OCCO2	REAL300019187808	1	43	0.0	-41.90	328.20	9.40	-32.50
CCCN1C2=CC=CC=C2N=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187809	1	49	0.0	-42.63	376.33	11.70	-30.93
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=C2OCCOC2=C1	REAL300019187810	1	43	0.0	-47.47	354.47	9.84	-37.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OC2CCCC2)=C1	REAL300019187811	0	51	0.0	-44.27	378.25	11.89	-32.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OC2CCCC2)=C1	REAL300019187811	1	51	0.0	-44.58	383.76	12.23	-32.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300019187813	0	44	0.0	-47.12	359.74	12.44	-34.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(F)C(C2=CC=CS2)=C1	REAL300019187813	1	44	0.0	-49.89	369.03	12.88	-37.01
CS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187814	0	43	0.0	-53.48	350.33	7.53	-45.95
CS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187814	1	43	0.0	-52.79	343.75	7.18	-45.61
CC(=O)NC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187815	0	44	0.0	-52.24	345.25	8.90	-43.34
CC(=O)NC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187815	1	44	0.0	-51.68	338.64	8.54	-43.14
COC1=CC(Cl)=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187816	0	45	0.0	-44.66	362.88	9.81	-34.85
COC1=CC(Cl)=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187816	1	45	0.0	-32.08	351.11	9.18	-22.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(CC(F)(F)F)C=C1	REAL300019187817	0	43	0.0	-46.36	344.05	11.44	-34.92
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(CC(F)(F)F)C=C1	REAL300019187817	1	43	0.0	-46.61	350.59	11.79	-34.82
CC(C)(C)OC(=O)NCC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187818	0	57	0.0	-49.48	439.22	10.55	-38.93
CC(C)(C)OC(=O)NCC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187818	1	57	0.0	-48.01	430.91	10.10	-37.91
CC(C)(C)OC(=O)NC1=CN=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187819	0	52	0.0	-48.88	403.40	8.02	-40.86
CC(C)(C)OC(=O)NC1=CN=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=N1	REAL300019187819	1	52	0.0	-48.75	397.91	7.95	-40.80
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=NN1CC1CCC1	REAL300019187820	0	47	0.0	-35.22	353.08	10.16	-25.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=NN1CC1CCC1	REAL300019187820	1	47	0.0	-45.25	363.03	10.64	-34.61
CN1N=CC2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CN=C21	REAL300019187821	0	42	0.0	-52.03	333.92	9.11	-42.92
CN1N=CC2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CN=C21	REAL300019187821	1	42	0.0	-51.61	327.30	8.74	-42.87
CN1N=C(C(=O)OC(C)(C)C)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187822	1	52	0.0	-51.08	389.28	9.76	-41.32
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Cl)C=C1O	REAL300019187823	0	42	0.0	-46.42	344.98	7.76	-38.66
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(Cl)C=C1O	REAL300019187823	1	42	0.0	-31.23	332.62	7.11	-24.12
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C(C)(C)C	REAL300019187824	0	53	0.0	-45.06	392.99	12.09	-32.97
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C(C)(C)C	REAL300019187824	1	53	0.0	-44.11	383.62	11.63	-32.48
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(CC2CCC2)=C1	REAL300019187825	0	50	0.0	-42.61	374.12	13.16	-29.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(CC2CCC2)=C1	REAL300019187825	1	50	0.0	-42.82	382.60	13.63	-29.19
CC1=CC(C)=C(C=CC[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187826	0	50	0.0	-46.05	382.71	13.30	-32.75
CC1=CC(C)=C(C=CC[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187826	1	50	0.0	-46.25	375.96	12.90	-33.35
COC1=C(C)C=NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C	REAL300019187827	0	46	0.0	-27.67	346.46	9.01	-18.66
COC1=C(C)C=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C	REAL300019187827	1	46	0.0	-28.69	343.82	8.65	-20.04
NS(=O)(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187828	0	42	0.0	-54.46	344.11	5.01	-49.45
NS(=O)(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187828	1	42	0.0	-53.56	337.23	4.62	-48.94
NC1=C(Cl)C=C(Cl)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187829	1	39	0.0	-28.77	321.31	8.89	-19.88
COC(=O)C1=CC=CC2=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=CN=C12	REAL300019187830	0	48	0.0	-72.16	374.61	11.16	-61.00
COC(=O)C1=CC=CC2=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=CN=C12	REAL300019187830	1	48	0.0	-38.57	368.93	10.97	-27.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300019187831	0	57	0.0	-46.92	421.24	8.32	-38.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCCN2CCOCC2)C=C1	REAL300019187831	1	57	0.0	-46.70	429.98	8.92	-37.78
CC1=CC=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019187832	1	39	0.0	-38.50	316.84	9.13	-29.37
CCOC(=O)CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300019187833	0	56	0.0	-53.83	448.16	13.29	-40.54
CCOC(=O)CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300019187833	1	56	0.0	-43.71	432.22	12.90	-30.81
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(F)=C1OC(F)(F)F	REAL300019187834	1	41	0.0	-43.22	336.10	10.21	-33.01
CC(C)OC1=CC=C(F)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187835	0	47	0.0	-40.86	360.24	11.29	-29.57
CC(C)OC1=CC=C(F)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187835	1	47	0.0	-41.37	359.05	10.69	-30.68
CCOC1=CC(F)=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187836	0	44	0.0	-45.62	347.41	10.30	-35.32
CCOC1=CC(F)=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187836	1	44	0.0	-45.13	340.82	9.94	-35.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300019187837	0	51	0.0	-54.47	379.30	10.66	-43.81
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C(=O)N2CCCC2)C=C1	REAL300019187837	1	51	0.0	-52.71	385.55	11.03	-41.68
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC(F)F)C=C1F	REAL300019187838	0	41	0.0	-30.42	322.63	9.19	-21.23
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC(F)F)C=C1F	REAL300019187838	1	41	0.0	-44.47	330.94	9.55	-34.92
CC(C)(C)OC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187839	0	50	0.0	-44.33	369.75	11.14	-33.19
CC(C)(C)OC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187839	1	50	0.0	-42.84	363.65	10.80	-32.04
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1C	REAL300019187840	0	44	0.0	-43.40	346.35	10.22	-33.18
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(F)C=C1C	REAL300019187840	1	44	0.0	-29.37	332.99	9.64	-19.73
CC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1Br	REAL300019187841	0	43	0.0	-31.29	333.24	11.61	-19.68
CC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1Br	REAL300019187841	1	43	0.0	-43.13	335.95	11.42	-31.71
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(CC2CCCO2)N=N1	REAL300019187842	1	47	0.0	-51.19	367.10	7.68	-43.51
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Br	REAL300019187843	1	43	0.0	-52.83	354.06	10.79	-42.04
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300019187844	0	47	0.0	-51.48	373.75	11.36	-40.12
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC(F)=CC=C2F)=N1	REAL300019187844	1	47	0.0	-41.91	364.81	10.88	-31.03
CN(C)C1=CC=C(F)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187845	0	45	0.0	-41.02	350.07	10.38	-30.64
CN(C)C1=CC=C(F)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187845	1	45	0.0	-41.13	342.05	9.81	-31.32
O=C([O-])C[C@@H]1CC2(CC2)CN1CC1=C(Cl)C=NC=C1Cl	REAL300019187846	0	36	0.0	-38.96	309.72	9.02	-29.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=C(Cl)C=NC=C1Cl	REAL300019187846	1	36	0.0	-28.50	300.26	8.64	-19.86
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=C(Cl)C=NC=C1Cl	REAL300019187846	1	36	0.0	-38.96	309.72	9.02	-29.94
CC(C)(C)C1=CSC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187847	1	45	0.0	-41.41	349.83	9.23	-32.18
COCCC1=NC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187848	0	43	0.0	-45.55	353.67	7.89	-37.66
COCCC1=NC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187848	1	43	0.0	-45.11	346.45	7.51	-37.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC=CC(F)=C2N=C1	REAL300019187849	0	42	0.0	-53.48	330.46	10.10	-43.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC=CC(F)=C2N=C1	REAL300019187849	1	42	0.0	-51.54	338.95	10.52	-41.02
CC(C)(C)[Si](C)(C)OCC1=CSC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=N1	REAL300019187850	1	58	0.0	-43.11	449.97	12.35	-30.76
CC1=CC(C)=C(C=CC[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C	REAL300019187851	0	50	0.0	-45.57	379.70	13.20	-32.37
CC1=CC(C)=C(C=CC[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C	REAL300019187851	1	50	0.0	-46.82	372.94	12.81	-34.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CCC1=CC(Cl)=CC(Cl)=C1	REAL300019187852	0	40	0.0	-53.38	340.30	11.55	-41.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CCC1=CC(Cl)=CC(Cl)=C1	REAL300019187852	1	40	0.0	-52.54	346.81	11.91	-40.63
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300019187853	0	47	0.0	-46.33	373.95	13.59	-32.74
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(C2=CC=C(Cl)C=C2)=C1	REAL300019187853	1	47	0.0	-46.54	380.58	13.95	-32.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(F)=C1I	REAL300019187854	1	37	0.0	-27.58	310.41	10.80	-16.78
CCCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C	REAL300019187855	0	50	0.0	-44.40	384.46	11.89	-32.51
CCCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C	REAL300019187855	1	50	0.0	-44.33	375.93	11.43	-32.90
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1COC1=CC=CC=C1	REAL300019187856	0	55	0.0	-44.37	429.48	12.85	-31.52
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1COC1=CC=CC=C1	REAL300019187856	1	55	0.0	-46.18	420.99	12.37	-33.81
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1CN1C=CC=N1	REAL300019187857	0	51	0.0	-47.97	403.74	11.10	-36.87
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1CN1C=CC=N1	REAL300019187857	1	51	0.0	-44.48	395.22	10.64	-33.84
CCOC1=CC=CC(F)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187858	0	44	0.0	-38.26	343.86	10.31	-27.95
CCOC1=CC=CC(F)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187858	1	44	0.0	-38.93	336.12	9.94	-28.99
CC1=CC=C(Br)C(F)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187859	1	40	0.0	-38.38	320.40	10.71	-27.67
CC1=CC=C(OC2=CC(Cl)=CC=C2C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187860	0	54	0.0	-43.67	429.30	14.62	-29.05
CC1=CC=C(OC2=CC(Cl)=CC=C2C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C)=C1	REAL300019187860	1	54	0.0	-44.38	429.84	14.54	-29.84
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300019187861	0	50	0.0	-44.23	383.51	11.00	-33.23
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC3=CC=CC=C3O2)=N1	REAL300019187861	1	50	0.0	-46.27	394.68	11.75	-34.52
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300019187862	0	46	0.0	-48.90	366.39	9.51	-39.39
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300019187862	1	46	0.0	-48.67	356.20	9.26	-39.41
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300019187863	0	46	0.0	-49.20	366.82	9.55	-39.65
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=NC=C2)=N1	REAL300019187863	1	46	0.0	-40.57	346.86	8.96	-31.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300019187864	0	51	0.0	-45.12	397.99	13.09	-32.03
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OCC2=CC=CC=C2F)=C1	REAL300019187864	1	51	0.0	-46.32	404.26	13.45	-32.87
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)N(C)C1=O	REAL300019187865	0	43	0.0	-59.21	338.01	8.21	-51.00
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(=O)N(C)C1=O	REAL300019187865	1	43	0.0	-52.03	327.28	7.92	-44.11
CC1=NN(C)C2=NC(Cl)=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C12	REAL300019187866	0	45	0.0	-50.47	370.53	10.26	-40.21
CC1=NN(C)C2=NC(Cl)=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C12	REAL300019187866	1	45	0.0	-31.21	357.75	9.61	-21.60
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CN=C2)O1	REAL300019187867	0	43	0.0	-45.43	341.57	9.94	-35.49
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CN=C2)O1	REAL300019187867	1	43	0.0	-47.33	347.43	10.28	-37.05
CC1=NN(CCO)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187868	0	47	0.0	-45.62	361.65	6.23	-39.39
CC1=NN(CCO)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187868	1	47	0.0	-45.41	353.52	5.80	-39.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300019187869	0	57	0.0	-34.71	419.29	12.92	-21.79
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC=CC=C2N=C1N1CCCCC1	REAL300019187869	1	57	0.0	-45.19	429.05	13.38	-31.81
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CSC(C2=CSC=C2)=N1	REAL300019187870	1	40	0.0	-44.29	347.05	9.80	-34.49
CC(C)(C)C1=NC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187871	0	45	0.0	-43.28	357.84	9.85	-33.43
CC(C)(C)C1=NC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187871	1	45	0.0	-43.13	351.59	9.53	-33.60
CC(C)(C)C1=NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187872	1	45	0.0	-40.38	351.92	9.43	-30.95
CN(C)C(=O)COC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187873	0	51	0.0	-44.45	390.28	10.99	-33.46
CN(C)C(=O)COC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187873	1	51	0.0	-50.21	391.50	10.60	-39.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OC1CCCC1	REAL300019187874	0	51	0.0	-40.25	378.86	12.03	-28.22
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OC1CCCC1	REAL300019187874	1	51	0.0	-38.86	378.46	12.58	-26.28
CC1=CC=C(C2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])S2)C=C1	REAL300019187875	0	47	0.0	-44.78	381.33	13.61	-31.17
CC1=CC=C(C2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])S2)C=C1	REAL300019187875	1	47	0.0	-43.15	373.72	13.18	-29.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC([N+](=O)[O-])=CC=C1OC(F)F	REAL300019187876	1	43	0.0	-51.41	351.87	10.58	-40.83
COC1=CC(OC2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)=CC(OC)=C1	REAL300019187877	0	56	0.0	-49.95	437.73	11.52	-38.43
COC1=CC(OC2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)=CC(OC)=C1	REAL300019187877	1	56	0.0	-48.23	431.38	11.13	-37.10
COC(=O)COC1=C(C)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C	REAL300019187878	0	53	0.0	-50.57	421.48	12.59	-37.98
COC(=O)COC1=C(C)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1C	REAL300019187878	1	53	0.0	-49.88	410.64	12.02	-37.86
COCCCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187879	0	51	0.0	-44.52	398.06	10.21	-34.31
COCCCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187879	1	51	0.0	-46.00	389.55	9.76	-36.24
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1SC	REAL300019187880	0	45	0.0	-47.57	358.55	10.37	-37.20
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1SC	REAL300019187880	1	45	0.0	-47.16	351.93	10.02	-37.14
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCCCC#N	REAL300019187881	0	52	0.0	-58.35	414.48	11.56	-46.79
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCCCC#N	REAL300019187881	1	52	0.0	-57.25	405.96	11.11	-46.14
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OCC(F)(F)F)C=C1	REAL300019187882	0	44	0.0	-48.66	353.94	10.35	-38.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OCC(F)(F)F)C=C1	REAL300019187882	1	44	0.0	-47.98	362.47	10.80	-37.18
CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187883	0	51	0.0	-47.47	393.99	11.16	-36.31
CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCC	REAL300019187883	1	51	0.0	-47.19	385.46	10.71	-36.48
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=C2OCCCOC2=C1	REAL300019187884	1	46	0.0	-49.29	372.90	10.61	-38.68
COC1=C(Cl)C=C(Cl)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187885	1	41	0.0	-34.68	339.32	10.24	-24.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300019187886	0	48	0.0	-46.27	384.87	12.65	-33.62
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(OC2=CC(F)=CC(F)=C2)C=C1	REAL300019187886	1	48	0.0	-47.82	390.96	12.99	-34.83
CC(C)OC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187887	0	47	0.0	-44.60	359.01	10.90	-33.70
CC(C)OC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187887	1	47	0.0	-42.90	352.81	10.55	-32.35
COC(=O)C1=C(C)C2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CN=C2S1	REAL300019187888	0	48	0.0	-54.00	394.07	10.76	-43.24
COC(=O)C1=C(C)C2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CN=C2S1	REAL300019187888	1	48	0.0	-54.02	385.56	10.35	-43.67
COC1=CC=C(OCC2=CC=CC=N2)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187889	0	54	0.0	-42.14	414.54	11.02	-31.12
COC1=CC=C(OCC2=CC=CC=N2)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187889	1	54	0.0	-31.70	409.10	10.59	-21.11
C=C(C)COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187890	0	52	0.0	-48.59	403.87	11.55	-37.04
C=C(C)COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187890	1	52	0.0	-47.77	395.55	11.13	-36.64
CCCCCCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187891	0	56	0.0	-42.63	428.89	13.48	-29.15
CCCCCCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187891	1	56	0.0	-43.85	420.34	13.02	-30.83
CCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187893	0	45	0.0	-49.03	346.04	8.04	-40.99
CCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187893	1	45	0.0	-46.41	344.72	7.86	-38.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC=CC1=CC=CC=C1[N+](=O)[O-]	REAL300019187894	0	43	0.0	-57.52	339.37	11.50	-46.02
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC=CC1=CC=CC=C1[N+](=O)[O-]	REAL300019187894	1	43	0.0	-51.06	346.54	11.97	-39.09
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C([N+](=O)[O-])C=C1OC	REAL300019187895	1	47	0.0	-40.41	355.28	9.64	-30.77
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OC(F)F)=C1	REAL300019187896	0	41	0.0	-46.25	322.28	9.24	-37.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OC(F)F)=C1	REAL300019187896	1	41	0.0	-46.37	330.79	9.69	-36.68
CCCCCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187897	0	57	0.0	-47.45	436.63	12.60	-34.85
CCCCCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187897	1	57	0.0	-47.09	428.06	12.15	-34.94
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300019187898	0	46	0.0	-45.96	377.07	13.05	-32.91
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])S1	REAL300019187898	1	46	0.0	-49.93	384.43	13.47	-36.46
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300019187899	0	43	0.0	-47.62	359.89	11.15	-36.47
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC(Cl)=CC(Cl)=C2OC1	REAL300019187899	1	43	0.0	-48.87	371.04	11.70	-37.17
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(C=C1[N+](=O)[O-])OCCO2	REAL300019187900	1	45	0.0	-40.91	337.90	8.82	-32.09
CCOC1=CC=C([N+](=O)[O-])C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187901	0	46	0.0	-31.73	346.07	11.24	-20.49
CCOC1=CC=C([N+](=O)[O-])C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187901	1	46	0.0	-47.20	362.79	10.68	-36.52
CCOCC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187902	0	51	0.0	-42.80	395.12	10.33	-32.47
CCOCC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187902	1	51	0.0	-43.22	386.66	9.87	-33.35
CCCCCCCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187903	0	59	0.0	-42.58	450.39	14.26	-28.32
CCCCCCCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187903	1	59	0.0	-43.72	441.84	13.80	-29.92
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCCC(C)C	REAL300019187904	0	57	0.0	-47.43	432.70	12.34	-35.09
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OCCC(C)C	REAL300019187904	1	57	0.0	-46.94	424.13	11.89	-35.05
CCOC1=C(OC)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187905	0	52	0.0	-50.68	405.29	10.18	-40.50
CCOC1=C(OC)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1OC	REAL300019187905	1	52	0.0	-49.50	396.78	9.73	-39.77
CC1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300019187906	0	42	0.0	-54.39	330.62	11.20	-43.19
CC1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CC=C1[N+](=O)[O-]	REAL300019187906	1	42	0.0	-51.79	324.63	10.97	-40.82
CC1=CC=C([N+](=O)[O-])C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187907	0	45	0.0	-48.28	340.96	11.54	-36.74
CC1=CC=C([N+](=O)[O-])C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187907	1	45	0.0	-38.63	329.45	11.17	-27.46
COC(=O)C1=C(C)NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187908	0	44	0.0	-49.95	352.76	9.13	-40.82
COC(=O)C1=C(C)NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187908	1	44	0.0	-49.93	345.16	8.69	-41.24
NS(=O)(=O)C1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187909	1	42	0.0	-52.90	337.22	4.60	-48.30
COC1=CC=C(CN2C=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])N=N2)C=C1	REAL300019187910	1	50	0.0	-50.58	393.77	9.44	-41.14
CC1=C(Br)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187911	0	37	0.0	-42.92	322.98	10.57	-32.35
CC1=C(Br)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187911	1	37	0.0	-42.67	316.56	10.20	-32.47
COC(=O)C1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187912	0	40	0.0	-51.96	338.86	9.86	-42.10
COC(=O)C1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CS1	REAL300019187912	1	40	0.0	-49.95	329.76	9.40	-40.55
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C(F)(F)F)=C1	REAL300019187913	0	46	0.0	-39.10	369.80	11.52	-27.58
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C(F)(F)F)=C1	REAL300019187913	1	46	0.0	-49.61	366.91	11.29	-38.32
COC(=O)C1=C(C(C)C)NC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187914	0	50	0.0	-51.61	394.35	10.47	-41.14
COC(=O)C1=C(C(C)C)NC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187914	1	50	0.0	-50.60	385.89	10.10	-40.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300019187915	0	48	0.0	-46.08	394.06	13.09	-32.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OC1=CC=C(F)C(Cl)=C1	REAL300019187915	1	48	0.0	-45.67	395.55	13.39	-32.28
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187916	0	51	0.0	-40.21	409.23	14.15	-26.06
CC1=CC=C(Cl)C=C1OC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187916	1	51	0.0	-41.92	408.76	13.78	-28.14
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300019187917	0	48	0.0	-42.51	394.54	13.11	-29.40
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC=C1OC1=CC=CC(Cl)=C1	REAL300019187917	1	48	0.0	-42.57	395.60	13.58	-28.99
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187918	0	54	0.0	-39.71	425.62	14.68	-25.03
CCC1=CC=CC=C1OC1=CC=C(Cl)C=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187918	1	54	0.0	-40.66	428.24	14.47	-26.19
CCC1=CC=CC=C1OC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187919	0	54	0.0	-46.91	427.35	14.56	-32.35
CCC1=CC=CC=C1OC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(Cl)=C1	REAL300019187919	1	54	0.0	-29.80	422.32	14.27	-15.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC2=C1CCOC2	REAL300019187920	0	45	0.0	-42.66	331.49	9.69	-32.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC2=C1CCOC2	REAL300019187920	1	45	0.0	-44.13	339.67	10.18	-33.95
COCC1=C(C)C=C(C)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C	REAL300019187921	0	53	0.0	-41.30	386.30	11.23	-30.07
COCC1=C(C)C=C(C)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C	REAL300019187921	1	53	0.0	-33.33	374.63	10.74	-22.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C2OC(=O)OC2=C1	REAL300019187922	0	39	0.0	-56.76	310.74	10.19	-46.57
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C2OC(=O)OC2=C1	REAL300019187922	1	39	0.0	-58.03	319.28	10.66	-47.37
CCN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300019187923	0	50	0.0	-45.54	393.31	12.16	-33.38
CCN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CC=C2)=N1	REAL300019187923	1	50	0.0	-37.85	377.10	11.79	-26.06
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300019187924	0	47	0.0	-44.73	389.49	11.29	-33.44
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC=C1OC1=CN=CC(Cl)=C1	REAL300019187924	1	47	0.0	-44.14	391.48	11.83	-32.31
CN1N=C2CCSCC2=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187925	0	45	0.0	-46.70	349.03	9.51	-37.19
CN1N=C2CCSCC2=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187925	1	45	0.0	-31.22	340.21	9.25	-21.97
COC1=CC(C)=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187926	0	45	0.0	-41.30	345.98	8.02	-33.28
COC1=CC(C)=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187926	1	45	0.0	-42.85	344.86	7.56	-35.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CC(F)=C1[O-]	REAL300019187928	0	38	0.0	-46.73	320.00	8.48	-38.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CC(F)=C1[O-]	REAL300019187928	1	38	0.0	-44.93	321.79	7.61	-37.32
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(Br)=CC(F)=C1O	REAL300019187928	1	38	0.0	-46.73	320.00	8.48	-38.25
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(Br)=CC(F)=C1O	REAL300019187928	1	38	0.0	-44.93	321.79	7.61	-37.32
COC(=O)C1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC(F)=CC=C2N1C	REAL300019187929	0	50	0.0	-42.20	397.30	12.22	-29.98
COC(=O)C1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC(F)=CC=C2N1C	REAL300019187929	1	50	0.0	-35.31	382.93	12.11	-23.20
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300019187930	0	48	0.0	-44.84	390.98	12.77	-32.07
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC=C1OC1=CC(F)=CC(F)=C1	REAL300019187930	1	48	0.0	-44.14	391.88	13.21	-30.93
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187931	0	55	0.0	-40.60	424.15	13.49	-27.11
COC1=CC(C)=CC=C1OC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187931	1	55	0.0	-41.69	423.81	13.17	-28.52
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300019187932	0	48	0.0	-44.07	395.87	13.21	-30.86
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(F)=CC=C1OC1=CC=C(Cl)C=C1	REAL300019187932	1	48	0.0	-49.21	395.91	13.39	-35.82
CCOC(=O)CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300019187933	0	55	0.0	-57.43	442.98	11.50	-45.93
CCOC(=O)CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=CN=C2)=N1	REAL300019187933	1	55	0.0	-46.44	426.18	10.99	-35.45
COC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1OC	REAL300019187934	0	45	0.0	-44.66	354.16	9.28	-35.38
COC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1OC	REAL300019187934	1	45	0.0	-48.30	352.57	9.06	-39.24
COC1=CC=CC(COC2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)=C1	REAL300019187935	0	55	0.0	-48.12	430.72	12.64	-35.48
COC1=CC=CC(COC2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])C=C2)=C1	REAL300019187935	1	55	0.0	-48.25	423.79	12.24	-36.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1OCC(F)F	REAL300019187936	0	44	0.0	-45.05	347.71	10.33	-34.72
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1OCC(F)F	REAL300019187936	1	44	0.0	-41.87	346.80	10.84	-31.03
CCC1=C(C(=O)OC)C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N1	REAL300019187937	0	47	0.0	-50.64	375.09	9.87	-40.77
CCC1=C(C(=O)OC)C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])N1	REAL300019187937	1	47	0.0	-50.79	365.91	9.53	-41.26
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187938	0	53	0.0	-46.61	402.66	12.89	-33.72
CC1=NN(C2=CC=CC=C2C)C(C)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187938	1	53	0.0	-34.18	394.79	12.61	-21.57
CCOC(=O)C1=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC(C)=CC=C2N1	REAL300019187939	0	53	0.0	-41.25	416.58	12.02	-29.23
CCOC(=O)C1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C2=CC(C)=CC=C2N1	REAL300019187939	1	53	0.0	-31.51	405.54	11.60	-19.91
COC(=O)C1=CN=C(CN2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187940	0	39	0.0	-46.14	325.91	7.65	-38.49
COC(=O)C1=CN=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187940	1	39	0.0	-46.33	334.11	8.12	-38.21
COC(=O)C1=CN=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])S1	REAL300019187940	1	39	0.0	-46.14	325.91	7.65	-38.49
COC(=O)C1=CNC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C1CC1	REAL300019187941	0	48	0.0	-55.11	366.47	10.63	-44.48
COC(=O)C1=CNC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1C1CC1	REAL300019187941	1	48	0.0	-50.25	373.78	10.22	-40.03
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(Br)C=C(F)C=C2N1	REAL300019187942	1	41	0.0	-48.01	350.37	10.64	-37.37
COC(=O)C1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1	REAL300019187943	0	43	0.0	-47.22	346.91	10.63	-36.59
COC(=O)C1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(F)=C1	REAL300019187943	1	43	0.0	-32.08	338.18	10.26	-21.82
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300019187944	0	47	0.0	-46.61	369.56	10.03	-36.58
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OC2=CC=CC=N2)=C1	REAL300019187944	1	47	0.0	-47.30	378.30	10.51	-36.79
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300019187945	0	51	0.0	-46.53	394.27	12.94	-33.59
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(COC2=CC=CC=C2)=C1	REAL300019187945	1	51	0.0	-46.26	402.79	13.39	-32.87
COC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC(F)(F)F	REAL300019187947	0	48	0.0	-52.43	389.81	10.59	-41.84
COC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC(F)(F)F	REAL300019187947	1	48	0.0	-50.95	383.19	10.25	-40.70
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300019187948	0	44	0.0	-45.03	358.73	12.57	-32.46
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC(F)=C2)S1	REAL300019187948	1	44	0.0	-47.55	366.35	13.00	-34.55
CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(O)=C1	REAL300019187949	0	45	0.0	-43.25	346.23	7.71	-35.54
CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(O)=C1	REAL300019187949	1	45	0.0	-43.89	345.50	7.15	-36.74
COC1=CC(Br)=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187951	0	42	0.0	-45.38	342.96	8.33	-37.05
COC1=CC(Br)=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1O	REAL300019187951	1	42	0.0	-46.43	344.19	7.56	-38.87
CC(C)(C)C1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(O)C(C(C)(C)C)=C1	REAL300019187952	0	62	0.0	-42.59	438.39	12.88	-29.71
CC(C)(C)C1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(O)C(C(C)(C)C)=C1	REAL300019187952	1	62	0.0	-40.51	440.21	12.03	-28.48
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC([N+](=O)[O-])=CC2=C1OCOC2	REAL300019187954	1	45	0.0	-31.03	341.83	9.84	-21.19
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(Br)=C1[O-]	REAL300019187956	0	38	0.0	-49.39	315.37	7.84	-41.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(Br)=C1[O-]	REAL300019187956	1	38	0.0	-44.16	314.64	7.60	-36.56
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(Br)=C1O	REAL300019187956	1	38	0.0	-49.39	315.37	7.84	-41.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(Br)=C1O	REAL300019187956	1	38	0.0	-44.16	314.64	7.60	-36.56
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=C(C=C1O)OCO2	REAL300019187957	0	41	0.0	-49.06	326.77	6.23	-42.83
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=C(C=C1O)OCO2	REAL300019187957	1	41	0.0	-37.81	312.00	5.91	-31.90
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC(C2=CC=CC=C2)=CC=C1O	REAL300019187958	0	48	0.0	-46.26	374.86	10.97	-35.29
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC(C2=CC=CC=C2)=CC=C1O	REAL300019187958	1	48	0.0	-37.76	361.58	10.66	-27.10
CCCCCCC(=CC1=CC=CC=C1)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187959	0	59	0.0	-44.29	441.04	15.52	-28.77
CCCCCCC(=CC1=CC=CC=C1)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187959	1	59	0.0	-31.85	429.43	15.29	-16.56
CCCCCC(=CC1=CC=CC=C1)C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187960	0	56	0.0	-44.31	419.54	14.74	-29.57
CCCCCC(=CC1=CC=CC=C1)C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187960	1	56	0.0	-31.86	407.92	14.51	-17.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300019187961	0	46	0.0	-50.79	374.76	12.38	-38.41
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC([N+](=O)[O-])=C2)O1	REAL300019187961	1	46	0.0	-54.60	380.62	12.72	-41.88
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300019187962	0	46	0.0	-50.94	374.99	12.38	-38.56
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)O1	REAL300019187962	1	46	0.0	-53.07	380.56	12.72	-40.35
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2Cl)O1	REAL300019187963	0	46	0.0	-48.19	390.15	12.81	-35.38
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2Cl)O1	REAL300019187963	1	46	0.0	-50.01	395.01	13.10	-36.91
COC1=CC=C(C2=CC=C(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300019187964	0	50	0.0	-54.29	405.03	12.57	-41.72
COC1=CC=C(C2=CC=C(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])O2)C([N+](=O)[O-])=C1	REAL300019187964	1	50	0.0	-51.77	400.14	12.27	-39.50
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300019187965	0	46	0.0	-50.55	370.68	12.98	-37.57
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=CC=C2[N+](=O)[O-])O1	REAL300019187965	1	46	0.0	-53.07	375.59	13.28	-39.79
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300019187966	0	46	0.0	-50.71	380.50	13.17	-37.54
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(C2=CC=C([N+](=O)[O-])C=C2)S1	REAL300019187966	1	46	0.0	-52.58	388.08	13.60	-38.98
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC2=CC(Br)=CC=C2OC1	REAL300019187967	0	43	0.0	-46.31	348.34	10.70	-35.61
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC2=CC(Br)=CC=C2OC1	REAL300019187967	1	43	0.0	-46.64	359.48	11.26	-35.38
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300019187968	0	49	0.0	-55.37	400.00	11.97	-43.40
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2=CC=C([N+](=O)[O-])C=C2)=N1	REAL300019187968	1	49	0.0	-42.48	382.86	11.53	-30.95
CCC(C)OC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187969	0	54	0.0	-47.72	410.94	11.65	-36.07
CCC(C)OC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OC	REAL300019187969	1	54	0.0	-47.45	402.74	11.19	-36.26
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC=C1N1C=NC=N1	REAL300019187970	0	43	0.0	-34.58	319.14	12.82	-21.76
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC=C1N1C=NC=N1	REAL300019187970	1	43	0.0	-38.94	318.51	11.94	-27.00
CCOC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC(F)(F)F	REAL300019187971	0	51	0.0	-50.88	413.56	11.62	-39.26
CCOC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=CC=C1OCC(F)(F)F	REAL300019187971	1	51	0.0	-50.81	405.03	11.17	-39.64
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC(C2=CC=CC=C2)=CS1	REAL300019187972	0	43	0.0	-43.73	347.47	10.45	-33.28
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC(C2=CC=CC=C2)=CS1	REAL300019187972	1	43	0.0	-42.01	355.68	10.93	-31.08
N#CCCCOC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187973	0	48	0.0	-51.92	376.73	11.20	-40.72
N#CCCCOC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187973	1	48	0.0	-50.54	385.24	11.65	-38.89
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(N2CCOCC2)S1	REAL300019187974	0	46	0.0	-45.16	358.34	7.05	-38.11
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(N2CCOCC2)S1	REAL300019187974	1	46	0.0	-45.56	365.87	7.45	-38.11
CC1=NN(C)C(OCC(F)(F)F)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187975	0	47	0.0	-43.32	387.89	8.64	-34.68
CC1=NN(C)C(OCC(F)(F)F)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187975	1	47	0.0	-43.77	380.61	8.36	-35.41
CC1=NN(C)C(N2CCOCC2)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187976	0	53	0.0	-42.72	390.97	8.00	-34.72
CC1=NN(C)C(N2CCOCC2)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187976	1	53	0.0	-42.97	379.81	7.52	-35.45
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=C(Cl)C(C(F)(F)F)=C1	REAL300019187977	1	40	0.0	-49.31	343.43	11.53	-37.78
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019187978	0	44	0.0	-50.28	349.78	10.95	-39.33
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(C2=CC=C(F)C=C2)N=C1	REAL300019187978	1	44	0.0	-51.27	356.53	11.34	-39.93
COC1=CC2=C(OC(C)C2)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187979	0	49	0.0	-40.40	369.72	10.04	-30.36
COC1=CC2=C(OC(C)C2)C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187979	1	49	0.0	-41.55	370.93	9.59	-31.96
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC(OC(F)(F)F)=C1	REAL300019187980	0	41	0.0	-45.76	328.99	9.45	-36.31
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC(OC(F)(F)F)=C1	REAL300019187980	1	41	0.0	-45.86	335.64	9.80	-36.06
C=CCOC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187981	0	45	0.0	-48.08	363.30	11.02	-37.06
C=CCOC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1Cl	REAL300019187981	1	45	0.0	-46.57	371.82	11.48	-35.09
CN1C(Cl)=NC(Cl)=C1CN1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187982	0	37	0.0	-44.17	313.61	8.83	-35.34
CN1C(Cl)=NC(Cl)=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187982	1	37	0.0	-48.16	320.62	9.18	-38.98
CN1C(Cl)=NC(Cl)=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187982	1	37	0.0	-44.17	313.61	8.83	-35.34
CC(C#N)OC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187983	0	45	0.0	-50.69	358.59	10.60	-40.09
CC(C#N)OC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187983	1	45	0.0	-51.33	352.15	10.25	-41.08
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN=C(C2=CC=CC=C2)S1	REAL300019187985	0	43	0.0	-44.54	350.17	10.79	-33.75
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN=C(C2=CC=CC=C2)S1	REAL300019187985	1	43	0.0	-44.92	357.21	11.17	-33.75
CN1C=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2CCCC2)=N1	REAL300019187986	0	50	0.0	-32.44	364.42	10.42	-22.02
CN1C=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C(C2CCCC2)=N1	REAL300019187986	1	50	0.0	-45.62	374.15	10.65	-34.97
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=NC=CC2=C1CCCC2	REAL300019187987	0	46	0.0	-34.03	332.00	10.04	-23.99
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=NC=CC2=C1CCCC2	REAL300019187987	1	46	0.0	-41.37	339.01	10.36	-31.01
COC(=O)C1=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=CS1	REAL300019187988	1	40	0.0	-37.71	317.80	9.60	-28.11
CN1C=CC(C2=NC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CS2)=N1	REAL300019187989	1	43	0.0	-46.18	354.70	8.39	-37.79
CC1=C(Cl)C=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Cl	REAL300019187990	0	40	0.0	-29.05	327.56	11.22	-17.83
CC1=C(Cl)C=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Cl	REAL300019187990	1	40	0.0	-42.88	330.13	11.18	-31.70
CC1=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C)C=C1I	REAL300019187991	0	43	0.0	-44.07	352.76	12.38	-31.69
CC1=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C(C)C=C1I	REAL300019187991	1	43	0.0	-43.23	344.95	11.96	-31.27
N#CC1=CC=C(Br)C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1	REAL300019187992	1	38	0.0	-46.29	327.68	11.05	-35.24
CC1CC2=CC(C[N@@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C2O1	REAL300019187993	0	45	0.0	-47.01	349.41	10.73	-36.28
CC1CC2=CC(C[N@H+]3CC4(CC4)C[C@H]3CC(=O)[O-])=CC=C2O1	REAL300019187993	1	45	0.0	-45.82	339.90	10.27	-35.55
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CC=CC2=C1OC(=O)N2	REAL300019187994	0	40	0.0	-52.21	316.39	7.20	-45.01
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CC=CC2=C1OC(=O)N2	REAL300019187994	1	40	0.0	-47.52	317.91	7.45	-40.07
CSCC1=CC=C(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187995	0	44	0.0	-45.28	356.05	11.94	-33.34
CSCC1=CC=C(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])C=C1	REAL300019187995	1	44	0.0	-44.98	349.15	11.55	-33.43
O=C([O-])C[C@@H]1CC2(CC2)C[N@@H+]1CC1=CN(CC2CCC2)N=C1	REAL300019187996	0	47	0.0	-46.94	356.87	10.41	-36.53
O=C([O-])C[C@@H]1CC2(CC2)C[N@H+]1CC1=CN(CC2CCC2)N=C1	REAL300019187996	1	47	0.0	-48.03	363.53	10.79	-37.24
CN1N=C2CCOCC2=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187997	0	45	0.0	-46.84	341.40	7.52	-39.32
CN1N=C2CCOCC2=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187997	1	45	0.0	-31.97	331.22	7.14	-24.83
COC(=O)C(C)OC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187998	0	50	0.0	-40.20	384.07	11.57	-28.63
COC(=O)C(C)OC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187998	1	50	0.0	-46.89	386.93	11.28	-35.61
COC(=O)COC1=CC=CC=C1C[N@@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187999	0	47	0.0	-42.90	368.78	11.06	-31.84
COC(=O)COC1=CC=CC=C1C[N@H+]1CC2(CC2)C[C@H]1CC(=O)[O-]	REAL300019187999	1	47	0.0	-47.13	369.16	10.69	-36.44
CC1=CC=CC(C[N@@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019188000	0	40	0.0	-42.66	319.91	11.02	-31.64
CC1=CC=CC(C[N@H+]2CC3(CC3)C[C@H]2CC(=O)[O-])=C1Br	REAL300019188000	1	40	0.0	-40.53	319.21	10.83	-29.70