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CCOC1=C(Cl)C=C(NC(=O)CCC(=O)[O-])C=C1Cl	REAL300000674829	0	31	-1.0	-44.86	301.54	6.38	-38.48
CCOC1=C(Cl)C=C(NC(=O)CC2(CC(=O)[O-])CCCCC2)C=C1Cl	REAL300000674830	0	47	-1.0	-42.86	380.43	9.57	-33.29
CCOC1=C(Cl)C=C(NC(=O)CC2(CC(=O)[O-])CCCC2)C=C1Cl	REAL300000674831	0	44	-1.0	-46.68	370.87	9.15	-37.53
CCOC1=C(Cl)C=C(NC(=O)CSCC(=O)[O-])C=C1Cl	REAL300000674832	0	32	-1.0	-52.17	324.39	6.94	-45.23
CCOC1=C(Cl)C=C(NC(=O)CC(CC)(CC)C(=O)[O-])C=C1Cl	REAL300000674833	0	43	-1.0	-56.87	364.27	9.06	-47.81
CCOC1=C(Cl)C=C(NC(=O)CC(C)(C)C(=O)[O-])C=C1Cl	REAL300000674834	0	37	-1.0	-44.34	332.20	7.47	-36.87
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])C=C1Cl	REAL300000674835	0	39	-1.0	-40.73	343.67	8.77	-31.96
CCOC1=C(Cl)C=C(NC(=O)C2CC=CCC2C(=O)[O-])C=C1Cl	REAL300000674836	0	39	-1.0	-58.08	351.58	8.69	-49.39
CCOC1=C(Cl)C=C(NC(=O)C2CCC(C(=O)[O-])O2)C=C1Cl	REAL300000674837	0	36	-1.0	-59.86	338.18	7.31	-52.55
CCOC1=C(Cl)C=C(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])C=C1Cl	REAL300000674838	0	43	-1.0	-51.33	367.96	9.62	-41.71
CCOC1=C(Cl)C=C(NC(=O)CC2(CC(=O)[O-])CCC2)C=C1Cl	REAL300000674839	0	41	-1.0	-45.64	358.30	8.63	-37.01
CCOC1=C(Cl)C=C(NC(=O)C(C)OC(C)C(=O)[O-])C=C1Cl	REAL300000674840	0	38	-1.0	-56.12	355.79	7.75	-48.37
CCOC1=C(Cl)C=C(NC(=O)CC2(C(=O)[O-])CCOC2)C=C1Cl	REAL300000674841	0	39	-1.0	-56.34	345.43	6.76	-49.58
CCOC1=C(Cl)C=C(NC(=O)CC2(C(=O)[O-])CCC2)C=C1Cl	REAL300000674842	0	38	-1.0	-58.00	341.14	8.79	-49.21
CCOC1=C(Cl)C=C(NC(=O)C(C)SC(C)C(=O)[O-])C=C1Cl	REAL300000674843	0	38	-1.0	-53.90	360.88	8.10	-45.80
CCOC1=C(Cl)C=C(NC(=O)C2=C(C(=O)[O-])CCCC2)C=C1Cl	REAL300000674844	0	39	-1.0	-64.97	349.91	9.89	-55.08
CCOC1=C(Cl)C=C(NC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])C=C1Cl	REAL300000674845	0	35	-1.0	-55.37	347.40	9.39	-45.98
CCOC1=C(Cl)C=C(NC(=O)CC(C)CC(=O)[O-])C=C1Cl	REAL300000674846	0	37	-1.0	-52.63	335.64	7.61	-45.02
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300000674847	0	41	-1.0	-55.88	351.70	8.55	-47.33
CCOC1=C(Cl)C=C(NC(=O)C2CC(C(=O)[O-])C2)C=C1Cl	REAL300000674848	0	35	-1.0	-50.91	327.40	7.54	-43.37
CCOC1=C(Cl)C=C(NC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])C=C1Cl	REAL300000674849	0	41	-1.0	-51.46	372.54	9.69	-41.77
CCOC1=C(Cl)C=C(NC(=O)C2C(C(=O)[O-])C2(C)C)C=C1Cl	REAL300000674850	0	38	-1.0	-41.48	343.41	8.17	-33.31
CCOC1=C(Cl)C=C(NC(=O)C2CCCC2C(=O)[O-])C=C1Cl	REAL300000674851	0	38	-1.0	-54.21	343.28	8.06	-46.15
CCOC1=C(Cl)C=C(NC(=O)C(C)(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300000674852	0	46	-1.0	-34.78	368.59	9.26	-25.52
CCOC1=C(Cl)C=C(NC(=O)C(C)(CC)CC(=O)[O-])C=C1Cl	REAL300000674853	0	40	-1.0	-45.21	346.90	7.78	-37.43
CCOC1=C(Cl)C=C(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)C=C1Cl	REAL300000674854	0	47	0.0	-62.98	387.17	9.40	-53.58
CCOC1=C(Cl)C=C(NC(=O)C(C)(C)SCC(=O)[O-])C=C1Cl	REAL300000674855	0	38	-1.0	-53.35	356.72	8.06	-45.29
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C=C1Cl	REAL300000674856	0	40	-1.0	-45.10	348.61	9.07	-36.03
CCOC1=C(Cl)C=C(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)C=C1Cl	REAL300000674857	0	42	-1.0	-66.24	383.97	11.26	-54.98
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)C=C1Cl	REAL300000674858	0	41	-1.0	-56.87	360.88	8.73	-48.14
CCOC1=C(Cl)C=C(NC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])C=C1Cl	REAL300000674859	0	42	-1.0	-58.36	389.85	10.42	-47.94
CCOC1=C(Cl)C=C(NC(=O)C(CC(=O)[O-])CC(C)C)C=C1Cl	REAL300000674860	0	43	-1.0	-48.00	370.32	9.29	-38.71
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])C=C1Cl	REAL300000674861	0	43	-1.0	-50.33	366.53	9.47	-40.86
CCOC1=C(Cl)C=C(NC(=O)CC(C(=O)[O-])C2=CC=C(C)C=C2)C=C1Cl	REAL300000674862	0	44	-1.0	-56.51	397.03	10.79	-45.72
CCOC1=C(Cl)C=C(NC(=O)[C@H]2C[C@H]2C(=O)[O-])C=C1Cl	REAL300000674863	0	32	-1.0	-60.70	308.50	7.92	-52.78
CCOC1=C(Cl)C=C(NC(=O)C(C)(C)OCC(=O)[O-])C=C1Cl	REAL300000674864	0	38	-1.0	-58.08	346.93	7.47	-50.61
CCOC1=C(Cl)C=C(NC(=O)C2=C(C)SC(C)=C2C(=O)[O-])C=C1Cl	REAL300000674865	0	38	-1.0	-53.28	367.66	8.64	-44.64
CCOC1=C(Cl)C=C(NC(=O)CCCCCCC(=O)[O-])C=C1Cl	REAL300000674866	0	43	-1.0	-50.77	387.53	9.50	-41.27
CCOC1=C(Cl)C=C(NC(=O)C2CC(CC)CC2C(=O)[O-])C=C1Cl	REAL300000674867	0	44	-1.0	-52.10	378.11	9.14	-42.96
CCOC1=C(Cl)C=C(NC(=O)CCCCCC(=O)[O-])C=C1Cl	REAL300000674868	0	40	-1.0	-53.66	366.03	8.72	-44.94
CCOC1=C(Cl)C=C(NC(=O)CC2(CC(=O)[O-])CC2)C=C1Cl	REAL300000674869	0	38	-1.0	-48.81	347.57	8.31	-40.50
CCOC1=C(Cl)C=C(NC(=O)CC2(C(=O)[O-])CC2)C=C1Cl	REAL300000674870	0	35	-1.0	-60.38	326.22	8.41	-51.97
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C=C1Cl	REAL300000674871	0	40	-1.0	-54.25	355.08	6.75	-47.50
CCOC1=C(Cl)C=C(NC(=O)C2=C(C(=O)[O-])CCCCC2)C=C1Cl	REAL300000674872	0	42	-1.0	-65.14	364.77	10.29	-54.85
CCOC1=C(Cl)C=C(NC(=O)C2CCC(C(=O)[O-])S2)C=C1Cl	REAL300000674873	0	36	-1.0	-46.38	345.08	7.94	-38.44
CCOC1=C(Cl)C=C(NC(=O)C2=C(C(=O)[O-])CCC2)C=C1Cl	REAL300000674874	0	36	-1.0	-47.79	338.23	8.03	-39.76
CCOC1=C(Cl)C=C(NC(=O)C23CC2(C(=O)[O-])CCC3)C=C1Cl	REAL300000674875	0	39	-1.0	-56.46	350.35	8.85	-47.61
CCOC1=C(Cl)C=C(NC(=O)C2C3CCC(CC3)C2C(=O)[O-])C=C1Cl	REAL300000674876	0	45	-1.0	-37.88	373.32	9.44	-28.44
CCOC1=C(Cl)C=C(NC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])C=C1Cl	REAL300000674877	0	44	-1.0	-51.48	367.45	8.87	-42.61
CCOC1=C(Cl)C=C(NC(=O)CC(C(=O)[O-])C2CCCCC2)C=C1Cl	REAL300000674878	0	47	-1.0	-58.64	398.85	10.38	-48.26
CCOC1=C(Cl)C=C(NC(=O)CCCCC(=O)[O-])C=C1Cl	REAL300000674879	0	37	-1.0	-49.01	344.54	7.94	-41.07
CCOC1=C(Cl)C=C(NC(=O)C2=C(C(=O)[O-])CCCCCC2)C=C1Cl	REAL300000674880	0	45	-1.0	-65.76	372.82	10.87	-54.89
CCOC1=C(Cl)C=C(NC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])C=C1Cl	REAL300000674881	0	44	-1.0	-59.28	399.99	10.98	-48.30
COC1=CC(NC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC(C)C	REAL300000674882	0	51	-1.0	-59.38	395.32	9.94	-49.44
COC1=CC(NC(=O)CC2(C(=O)[O-])CCCCCC2)=CC=C1OC(C)C	REAL300000674883	0	54	-1.0	-62.34	387.42	9.38	-52.96
COC1=CC(NC(=O)CC2(C(=O)[O-])CCCC2)=CC=C1OC(C)C	REAL300000674884	0	48	-1.0	-60.39	368.86	8.55	-51.84
COC1=CC(NC(=O)CC(C)(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300000674885	0	47	-1.0	-52.00	356.74	7.24	-44.76
COC1=CC(NC(=O)CC(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC(C)C	REAL300000674886	0	48	-1.0	-59.77	386.96	9.39	-50.38
COC1=CC(NC(=O)CC2(C(=O)[O-])CCCCC2)=CC=C1OC(C)C	REAL300000674887	0	51	-1.0	-61.54	379.12	8.92	-52.62
COC1=CC(NC(=O)C2CC=CCC2C(=O)[O-])=CC=C1OC(C)C	REAL300000674888	0	46	-1.0	-62.03	363.60	7.93	-54.10
COC1=CC(NC(=O)CC2(CC(=O)[O-])CCCCC2)=CC=C1OC(C)C	REAL300000674889	0	54	-1.0	-49.53	391.29	8.84	-40.69
COC1=CC(NC(=O)CC2(CC(=O)[O-])CCCC2)=CC=C1OC(C)C	REAL300000674890	0	51	-1.0	-50.39	382.88	8.44	-41.95
COC1=CC(NC(=O)CSCC(=O)[O-])=CC=C1OC(C)C	REAL300000674891	0	39	-1.0	-54.09	335.75	6.21	-47.88
CCC(CC)(CC(=O)NC1=CC=C(OC(C)C)C(OC)=C1)C(=O)[O-]	REAL300000674892	0	50	-1.0	-60.07	374.69	8.22	-51.85
COC1=CC(NC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)=CC=C1OC(C)C	REAL300000674893	0	52	-1.0	-61.90	408.10	10.71	-51.19
COC1=CC(NC(=O)C(C)(CC(=O)[O-])C2CCCCC2)=CC=C1OC(C)C	REAL300000674894	0	57	-1.0	-44.54	410.70	9.54	-35.00
COC1=CC(NC(=O)CC(C)(C)C(=O)[O-])=CC=C1OC(C)C	REAL300000674895	0	44	-1.0	-47.04	344.25	6.78	-40.26
COC1=CC(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300000674896	0	46	-1.0	-45.53	356.88	7.79	-37.74
COC1=CC(NC(=O)C2CC=CCC2C(=O)[O-])=CC=C1OC(C)C	REAL300000674897	0	46	-1.0	-62.03	363.60	7.93	-54.10
COC1=CC(NC(=O)C2CCC(C(=O)[O-])O2)=CC=C1OC(C)C	REAL300000674898	0	43	-1.0	-59.13	349.32	6.61	-52.52
COC1=CC(NC(=O)C2C3C=CC(CC3)C2C(=O)[O-])=CC=C1OC(C)C	REAL300000674899	0	50	-1.0	-54.74	379.54	8.73	-46.01
COC1=CC(NC(=O)CC2(CC(=O)[O-])CCC2)=CC=C1OC(C)C	REAL300000674900	0	48	-1.0	-49.69	369.16	7.90	-41.79
COC1=CC(NC(=O)C(C)OC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300000674901	0	45	-1.0	-60.35	362.34	6.93	-53.42
COC1=CC(NC(=O)CC2(C(=O)[O-])CCOC2)=CC=C1OC(C)C	REAL300000674902	0	46	-1.0	-59.04	356.78	6.04	-53.00
COC1=CC(NC(=O)CC2(C(=O)[O-])CCC2)=CC=C1OC(C)C	REAL300000674903	0	45	-1.0	-61.41	352.22	8.06	-53.35
COC1=CC(NC(=O)C(C)SC(C)C(=O)[O-])=CC=C1OC(C)C	REAL300000674904	0	45	-1.0	-58.04	374.37	7.44	-50.60
COC1=CC(NC(=O)C2=C(C(=O)[O-])CCCC2)=CC=C1OC(C)C	REAL300000674905	0	46	-1.0	-70.63	361.26	9.18	-61.45
COC1=CC(NC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)=CC=C1OC(C)C	REAL300000674906	0	55	-1.0	-58.32	413.30	11.02	-47.30
COC1=CC(NC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000674907	0	42	-1.0	-51.62	358.91	8.49	-43.13
COC1=CC(NC(=O)CC(C)CC(=O)[O-])=CC=C1OC(C)C	REAL300000674908	0	44	-1.0	-54.55	346.99	6.89	-47.66
COC1=CC(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300000674909	0	48	-1.0	-61.25	364.12	7.85	-53.40
COC1=CC(NC(=O)C2CC(C(=O)[O-])C2)=CC=C1OC(C)C	REAL300000674910	0	42	-1.0	-56.07	340.37	6.87	-49.20
COC1=CC(NC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000674911	0	48	-1.0	-57.68	384.16	8.97	-48.71
COC1=CC(NC(=O)C2C(C(=O)[O-])C2(C)C)=CC=C1OC(C)C	REAL300000674912	0	45	-1.0	-45.84	357.85	7.55	-38.29
COC1=CC(NC(=O)C2CCCC2C(=O)[O-])=CC=C1OC(C)C	REAL300000674913	0	45	-1.0	-57.50	354.94	7.35	-50.15
COC1=CC(NC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)=CC=C1OC(C)C	REAL300000674914	0	48	-1.0	-53.08	387.02	8.78	-44.30
COC1=CC(NC(=O)C(C)(CC(=O)[O-])CC(C)C)=CC=C1OC(C)C	REAL300000674915	0	53	-1.0	-54.71	389.87	8.89	-45.82
CCC(CC(=O)[O-])(C(=O)NC1=CC=C(OC(C)C)C(OC)=C1)C1=CC=C(C)C=C1	REAL300000674916	0	57	-1.0	-54.54	429.67	10.83	-43.71
COC1=CC(NC(=O)C(C)(CC(=O)[O-])C2=CC=C(F)C=C2)=CC=C1OC(C)C	REAL300000674917	0	51	-1.0	-51.69	401.02	9.73	-41.96
CCC(C)(CC(=O)[O-])C(=O)NC1=CC=C(OC(C)C)C(OC)=C1	REAL300000674918	0	47	-1.0	-47.69	358.64	7.10	-40.59
COC1=CC(NC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)=CC=C1OC(C)C	REAL300000674919	0	54	0.0	-65.44	397.15	8.72	-56.72
COC1=CC(NC(=O)C(C)(C)SCC(=O)[O-])=CC=C1OC(C)C	REAL300000674920	0	45	-1.0	-55.25	368.76	7.37	-47.88
COC1=CC(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])=CC=C1OC(C)C	REAL300000674921	0	47	-1.0	-52.65	360.79	8.29	-44.36
COC1=CC(NC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)=CC=C1OC(C)C	REAL300000674922	0	52	-1.0	-60.66	403.61	10.64	-50.02
COC1=CC(NC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)=CC=C1OC(C)C	REAL300000674923	0	49	-1.0	-69.71	395.07	10.50	-59.21
COC1=CC(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)=CC=C1OC(C)C	REAL300000674924	0	48	-1.0	-59.06	373.49	8.01	-51.05
COC1=CC(NC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])=CC=C1OC(C)C	REAL300000674925	0	49	-1.0	-61.95	400.12	9.70	-52.25
COC1=CC(NC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)=CC=C1OC(C)C	REAL300000674926	0	45	-1.0	-49.02	374.30	7.52	-41.50
COC1=CC(NC(=O)C(CC(=O)[O-])CC(C)C)=CC=C1OC(C)C	REAL300000674927	0	50	-1.0	-53.60	381.74	8.51	-45.09
COC1=CC(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])=CC=C1OC(C)C	REAL300000674928	0	50	-1.0	-56.98	377.84	8.48	-48.50
COC1=CC(NC(=O)CC(C(=O)[O-])C2=CC=C(C)C=C2)=CC=C1OC(C)C	REAL300000674929	0	51	-1.0	-57.82	406.19	10.52	-47.30
COC1=CC(NC(=O)C(C)(C)OCC(=O)[O-])=CC=C1OC(C)C	REAL300000674930	0	45	-1.0	-60.19	358.97	6.78	-53.41
COC1=CC(NC(=O)C2=C(C)SC(C)=C2C(=O)[O-])=CC=C1OC(C)C	REAL300000674931	0	45	-1.0	-58.05	378.78	7.90	-50.15
COC1=CC(NC(=O)CCCCCCC(=O)[O-])=CC=C1OC(C)C	REAL300000674932	0	50	-1.0	-52.82	399.58	8.81	-44.01
CCC1CC(C(=O)[O-])C(C(=O)NC2=CC=C(OC(C)C)C(OC)=C2)C1	REAL300000674933	0	51	-1.0	-58.09	395.55	8.65	-49.44
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COC1=CC(NC(=O)CC(C(=O)[O-])C2CCCCC2)=CC=C1OC(C)C	REAL300000674944	0	54	-1.0	-62.21	409.93	9.66	-52.55
COC1=CC(NC(=O)CCCCC(=O)[O-])=CC=C1OC(C)C	REAL300000674945	0	44	-1.0	-51.24	355.89	7.21	-44.03
COC1=CC(NC(=O)C2=C(C(=O)[O-])CCCCCC2)=CC=C1OC(C)C	REAL300000674946	0	52	-1.0	-69.15	386.53	10.20	-58.95
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COC1=CC(NC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2)=CC=C1OC(C)C	REAL300000674949	0	48	-1.0	-44.20	402.09	9.58	-34.62
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O=C([O-])CCC(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674953	0	46	-1.0	-53.20	367.84	9.58	-43.62
O=C([O-])CSCC(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674954	0	47	-1.0	-58.31	390.70	10.16	-48.15
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O=C([O-])C1CCC(C(=O)NC2=CC=C(CC3=NN=C4CCCCCN34)C=C2)O1	REAL300000674959	0	51	-1.0	-66.69	404.18	10.54	-56.15
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CC(OC(C)C(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1)C(=O)[O-]	REAL300000674961	0	53	-1.0	-62.35	422.32	10.97	-51.38
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CCC(C)(CC(=O)[O-])C(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674970	0	55	-1.0	-53.03	412.92	11.00	-42.03
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CC(C)CC(CC(=O)[O-])C(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674972	0	58	-1.0	-56.05	440.16	12.14	-43.91
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CC(C)(OCC(=O)[O-])C(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674974	0	53	-1.0	-64.11	413.24	10.69	-53.42
O=C([O-])CCCCCCC(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674975	0	58	-1.0	-57.53	453.84	12.70	-44.83
O=C([O-])CCCCCC(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674976	0	55	-1.0	-59.70	432.34	11.92	-47.78
O=C([O-])CC1(CC(=O)NC2=CC=C(CC3=NN=C4CCCCCN34)C=C2)CC1	REAL300000674977	0	53	-1.0	-60.41	413.20	11.53	-48.88
O=C([O-])C1(CC(=O)NC2=CC=C(CC3=NN=C4CCCCCN34)C=C2)CC1	REAL300000674978	0	50	-1.0	-66.86	392.25	11.63	-55.23
O=C([O-])C1=C(C(=O)NC2=CC=C(CC3=NN=C4CCCCCN34)C=C2)CCC1	REAL300000674979	0	51	-1.0	-83.12	403.03	11.42	-71.70
O=C([O-])C12CC1(C(=O)NC1=CC=C(CC3=NN=C4CCCCCN34)C=C1)CCC2	REAL300000674980	0	54	-1.0	-69.86	419.23	11.91	-57.95
O=C([O-])CCCCC(=O)NC1=CC=C(CC2=NN=C3CCCCCN23)C=C1	REAL300000674981	0	52	-1.0	-56.17	410.84	11.14	-45.03
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(C(=O)[O-])CCCCCC1	REAL300000674982	0	47	-1.0	-62.96	355.62	9.17	-53.79
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(C(=O)[O-])CCCC1	REAL300000674983	0	41	-1.0	-60.58	337.53	8.39	-52.19
COC1=CC(C)=C(Br)C=C1NC(=O)CC(C)(C)CC(=O)[O-]	REAL300000674984	0	40	-1.0	-51.11	325.48	7.10	-44.01
COC1=CC(C)=C(Br)C=C1NC(=O)CC(C(=O)[O-])C1=CC=CC=C1	REAL300000674985	0	41	-1.0	-61.57	355.71	9.24	-52.33
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(C(=O)[O-])CCCCC1	REAL300000674986	0	44	-1.0	-60.32	347.78	8.76	-51.56
COC1=CC(C)=C(Br)C=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674987	0	39	-1.0	-47.46	323.96	7.90	-39.56
COC1=CC(C)=C(Br)C=C1NC(=O)CCC(=O)[O-]	REAL300000674988	0	31	-1.0	-47.70	281.63	5.49	-42.21
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300000674989	0	47	-1.0	-50.23	360.11	8.70	-41.53
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(CC(=O)[O-])CCCC1	REAL300000674990	0	44	-1.0	-50.28	350.48	8.27	-42.01
COC1=CC(C)=C(Br)C=C1NC(=O)CSCC(=O)[O-]	REAL300000674991	0	32	-1.0	-53.31	304.49	6.06	-47.25
CCC(CC)(CC(=O)NC1=CC(Br)=C(C)C=C1OC)C(=O)[O-]	REAL300000674992	0	43	-1.0	-61.76	345.46	8.09	-53.67
COC1=CC(C)=C(Br)C=C1NC(=O)CC(C)(C)C(=O)[O-]	REAL300000674993	0	37	-1.0	-46.86	312.30	6.59	-40.27
COC1=CC(C)=C(Br)C=C1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300000674994	0	39	-1.0	-48.20	325.75	7.64	-40.56
COC1=CC(C)=C(Br)C=C1NC(=O)C1CC=CCC1C(=O)[O-]	REAL300000674995	0	39	-1.0	-47.46	323.96	7.90	-39.56
COC1=CC(C)=C(Br)C=C1NC(=O)C1CCC(C(=O)[O-])O1	REAL300000674996	0	36	-1.0	-58.09	318.01	6.46	-51.63
COC1=CC(C)=C(Br)C=C1NC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300000674997	0	43	-1.0	-55.49	347.68	8.92	-46.57
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(CC(=O)[O-])CCC1	REAL300000674998	0	41	-1.0	-49.68	337.41	7.76	-41.92
COC1=CC(C)=C(Br)C=C1NC(=O)C(C)OC(C)C(=O)[O-]	REAL300000674999	0	38	-1.0	-57.69	336.13	6.85	-50.84
COC1=CC(C)=C(Br)C=C1NC(=O)CC1(C(=O)[O-])CCOC1	REAL300000675000	0	39	-1.0	-62.80	330.55	5.59	-57.21
COCC1(CNC(=O)CC(C)(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300000721144	0	50	-1.0	-62.97	379.93	9.00	-53.97
COCC1(CNC(=O)CC2(C(=O)[O-])CCCCCC2)CCCC1	REAL300000721145	0	53	-1.0	-65.08	366.79	8.47	-56.61
COCC1(CNC(=O)CC(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300000721146	0	47	-1.0	-60.04	367.74	8.42	-51.62
COCC1(CNC(=O)CC2(C(=O)[O-])CCCCC2)CCCC1	REAL300000721147	0	50	-1.0	-60.90	359.81	8.04	-52.86
COCC1(CNC(=O)CC2(CC(=O)[O-])CCCCC2)CCCC1	REAL300000721148	0	53	-1.0	-45.17	372.37	7.77	-37.40
COCC1(CNC(=O)CC2(CC(=O)[O-])CCCC2)CCCC1	REAL300000721149	0	50	-1.0	-49.56	363.20	7.43	-42.13
COCC1(CNC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)CCCC1	REAL300000721150	0	51	-1.0	-61.40	389.37	9.81	-51.59
COCC1(CNC(=O)C(C)(CC(=O)[O-])C2CCCCC2)CCCC1	REAL300000721151	0	56	-1.0	-56.66	392.71	8.90	-47.76
COCC1(CNC(=O)C2C3C=CC(CC3)C2C(=O)[O-])CCCC1	REAL300000721152	0	49	-1.0	-54.14	357.75	8.49	-45.65
COCC1(CNC(=O)CC(C)(C(=O)[O-])C2=CC=C(Cl)C=C2)CCCC1	REAL300000721153	0	50	-1.0	-55.20	390.91	9.61	-45.59
COCC1(CNC(=O)CN(CC(=O)[O-])C2=CC=C(OC)C=C2)CCCC1	REAL300000721154	0	53	-1.0	-52.25	414.81	7.61	-44.64
COCC1(CNC(=O)CN(CC(=O)[O-])C2=CC=C(Cl)C=C2)CCCC1	REAL300000721155	0	49	-1.0	-48.48	402.02	8.83	-39.65
COCC1(CNC(=O)C(C)SC(C)C(=O)[O-])CCCC1	REAL300000721156	0	44	-1.0	-54.22	353.03	6.35	-47.87
COCC1(CNC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)CCCC1	REAL300000721157	0	54	-1.0	-65.22	397.59	9.66	-55.56
COCC1(CNC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])CCCC1	REAL300000721158	0	41	-1.0	-51.57	339.27	7.65	-43.92
COCC1(CNC(=O)C2=C(C)C=CC(C)=C2C(=O)[O-])CCCC1	REAL300000721159	0	47	-1.0	-58.35	364.07	7.80	-50.55
COCC1(CNC(=O)C(C)(CC(=O)[O-])C2=CSC=C2)CCCC1	REAL300000721160	0	47	-1.0	-53.22	367.13	7.81	-45.41
COCC1(CNC(=O)C(CC(=O)[O-])C2=C(F)C=CC=C2Cl)CCCC1	REAL300000721161	0	47	-1.0	-48.22	378.65	8.29	-39.93
COCC1(CNC(=O)C(C)(CC(=O)[O-])CC(C)C)CCCC1	REAL300000721162	0	52	-1.0	-56.56	373.51	7.93	-48.63
CCC(CC(=O)[O-])(C(=O)NCC1(COC)CCCC1)C1=CC=C(C)C=C1	REAL300000721163	0	56	-1.0	-56.38	409.63	9.97	-46.41
COCC1(CNC(=O)C(C)(CC(=O)[O-])C2=CC=C(F)C=C2)CCCC1	REAL300000721164	0	50	-1.0	-52.97	381.74	8.82	-44.15
COCC1(CNC(=O)C2(CC(=O)[O-])CC[NH+](C)CC2)CCCC1	REAL300000721165	0	53	0.0	-64.56	377.32	8.45	-56.11
COCC1(CNC(=O)C(C)(C)SCC(=O)[O-])CCCC1	REAL300000721166	0	44	-1.0	-54.04	348.81	6.35	-47.69
COCC1(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])CCCC1	REAL300000721167	0	46	-1.0	-51.80	340.74	7.56	-44.24
COCC1(CNC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)CCCC1	REAL300000721168	0	51	-1.0	-63.61	387.89	9.73	-53.88
COCC1(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)CCCC1	REAL300000721169	0	48	-1.0	-64.07	377.69	8.55	-55.52
COCC1(CNC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])CCCC1	REAL300000721170	0	48	-1.0	-63.15	380.09	8.86	-54.29
COCC1(CNC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)CCCC1	REAL300000721171	0	44	-1.0	-57.79	352.96	7.37	-50.42
COCC1(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])CCCC1	REAL300000721172	0	49	-1.0	-58.03	358.14	7.66	-50.37
COCC1(CNC(=O)CC(C(=O)[O-])C2=CC=C(C)C=C2)CCCC1	REAL300000721173	0	50	-1.0	-60.21	389.15	9.10	-51.11
COCC1(CNC(=O)C2=C(C)SC(C)=C2C(=O)[O-])CCCC1	REAL300000721174	0	44	-1.0	-60.22	360.01	6.92	-53.30
CCC1CC(C(=O)[O-])C(C(=O)NCC2(COC)CCCC2)C1	REAL300000721175	0	50	-1.0	-54.07	371.54	7.58	-46.49
COCC1(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])CCCC1	REAL300000721176	0	46	-1.0	-61.96	348.67	5.23	-56.73
COCC1(CNC(=O)C2=C(C(=O)[O-])CCCCC2)CCCC1	REAL300000721177	0	48	-1.0	-56.00	358.91	7.65	-48.35
COCC1(CNC(=O)C2CCC(C(=O)[O-])S2)CCCC1	REAL300000721178	0	42	-1.0	-48.63	337.52	6.25	-42.38
COCC1(CNC(=O)C2C3CCC(CC3)C2C(=O)[O-])CCCC1	REAL300000721179	0	51	-1.0	-58.32	358.68	8.64	-49.68
COCC1(CNC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])CCCC1	REAL300000721180	0	50	-1.0	-64.53	357.62	8.17	-56.36
COCC1(CNC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300000721181	0	60	0.0	-58.38	447.94	11.00	-47.38
COCC1(CNC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)CCCC1	REAL300000721181	1	60	0.0	-55.65	444.26	11.07	-44.58
COCC1(CNC(=O)CC(C(=O)[O-])C2CCCCC2)CCCC1	REAL300000721182	0	53	-1.0	-62.44	390.71	8.68	-53.76
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CC(C)(CC(=O)[O-])CC(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721307	0	42	-1.0	-55.13	332.71	4.95	-50.18
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CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1CC=CCC1C(=O)[O-]	REAL300000721310	0	41	-1.0	-64.74	330.33	6.30	-58.44
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(CC(=O)[O-])CCCCC1	REAL300000721311	0	49	-1.0	-52.06	367.33	6.57	-45.49
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(CC(=O)[O-])CCCC1	REAL300000721312	0	46	-1.0	-53.61	357.71	6.08	-47.53
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CSCC(=O)[O-]	REAL300000721313	0	34	-1.0	-57.21	311.72	3.91	-53.30
CCC(CC)(CC(=O)NCC1=CC=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300000721314	0	45	-1.0	-58.94	347.15	6.06	-52.88
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(C(=O)[O-])CC2=CC=CC=C2C1	REAL300000721315	0	47	-1.0	-66.14	383.83	8.47	-57.67
CC(CC(=O)[O-])(C(=O)NCC1=CC=CC=C1S(C)(=O)=O)C1CCCCC1	REAL300000721316	0	52	-1.0	-56.86	387.92	7.59	-49.27
CC(C)(CC(=O)NCC1=CC=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300000721317	0	39	-1.0	-54.40	320.11	4.44	-49.96
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-]	REAL300000721318	0	41	-1.0	-51.97	332.18	5.49	-46.48
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1CC=CCC1C(=O)[O-]	REAL300000721319	0	41	-1.0	-64.74	330.33	6.30	-58.44
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1CCC(C(=O)[O-])O1	REAL300000721320	0	38	-1.0	-64.24	324.93	4.33	-59.91
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1C2C=CC(CC2)C1C(=O)[O-]	REAL300000721321	0	45	-1.0	-52.22	347.74	6.84	-45.38
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CC(OC(C)C(=O)NCC1=CC=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300000721323	0	40	-1.0	-65.12	339.08	4.72	-60.40
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(C(=O)[O-])CCOC1	REAL300000721324	0	41	-1.0	-60.23	332.75	3.87	-56.36
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(C(=O)[O-])CCC1	REAL300000721325	0	40	-1.0	-65.86	328.19	5.81	-60.05
CC(SC(C)C(=O)NCC1=CC=CC=C1S(C)(=O)=O)C(=O)[O-]	REAL300000721326	0	40	-1.0	-61.83	350.21	5.11	-56.72
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1=C(C(=O)[O-])CCCC1	REAL300000721327	0	41	-1.0	-70.93	336.87	6.96	-63.97
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-]	REAL300000721328	0	37	-1.0	-58.46	334.66	6.26	-52.20
CC(CC(=O)[O-])CC(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721329	0	39	-1.0	-57.08	322.96	4.57	-52.51
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-]	REAL300000721330	0	43	-1.0	-60.98	337.64	5.50	-55.48
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1CC(C(=O)[O-])C1	REAL300000721331	0	37	-1.0	-57.70	314.32	4.48	-53.22
CC1=CC=C(C)C(C(=O)NCC2=CC=CC=C2S(C)(=O)=O)=C1C(=O)[O-]	REAL300000721332	0	43	-1.0	-67.23	355.95	7.27	-59.96
CC1(C)C(C(=O)[O-])C1C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721333	0	40	-1.0	-57.09	332.90	5.17	-51.92
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1CCCC1C(=O)[O-]	REAL300000721334	0	40	-1.0	-63.56	331.16	5.06	-58.50
CC(CC(=O)[O-])(C(=O)NCC1=CC=CC=C1S(C)(=O)=O)C1=CSC=C1	REAL300000721335	0	43	-1.0	-62.10	361.93	6.47	-55.63
CC(C)CC(C)(CC(=O)[O-])C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721336	0	48	-1.0	-63.73	367.79	6.69	-57.04
CC(CC(=O)[O-])(C(=O)NCC1=CC=CC=C1S(C)(=O)=O)C1=CC=C(F)C=C1	REAL300000721337	0	46	-1.0	-53.75	376.95	7.53	-46.22
CCC(C)(CC(=O)[O-])C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721338	0	42	-1.0	-52.65	332.02	4.81	-47.84
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CC(C)(SCC(=O)[O-])C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721340	0	40	-1.0	-57.95	344.06	5.03	-52.92
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300000721341	0	42	-1.0	-53.99	335.75	6.15	-47.84
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300000721342	0	47	-1.0	-70.34	382.52	8.19	-62.15
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300000721343	0	44	-1.0	-68.38	369.60	7.48	-60.90
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1	REAL300000721344	0	43	-1.0	-60.26	348.87	5.70	-54.56
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300000721345	0	44	-1.0	-67.31	372.22	7.94	-59.37
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300000721346	0	40	-1.0	-55.27	350.20	5.19	-50.08
CC(C)CC(CC(=O)[O-])C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721347	0	45	-1.0	-56.88	357.37	6.36	-50.52
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721348	0	45	-1.0	-58.19	353.15	6.35	-51.84
CC1=CC=C(C(CC(=O)NCC2=CC=CC=C2S(C)(=O)=O)C(=O)[O-])C=C1	REAL300000721349	0	46	-1.0	-63.77	381.07	8.30	-55.47
CC(C)(OCC(=O)[O-])C(=O)NCC1=CC=CC=C1S(C)(=O)=O	REAL300000721350	0	40	-1.0	-62.55	334.26	4.54	-58.01
CC1=C(C(=O)[O-])C(C(=O)NCC2=CC=CC=C2S(C)(=O)=O)=C(C)S1	REAL300000721351	0	40	-1.0	-61.32	354.51	5.57	-55.75
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CCCCCCC(=O)[O-]	REAL300000721352	0	45	-1.0	-55.56	374.85	6.46	-49.10
CCC1CC(C(=O)[O-])C(C(=O)NCC2=CC=CC=C2S(C)(=O)=O)C1	REAL300000721353	0	46	-1.0	-63.77	371.66	6.37	-57.40
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CCCCCC(=O)[O-]	REAL300000721354	0	42	-1.0	-57.47	353.36	5.68	-51.79
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(CC(=O)[O-])CC1	REAL300000721355	0	40	-1.0	-54.17	334.98	5.07	-49.10
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC1(C(=O)[O-])CC1	REAL300000721356	0	37	-1.0	-66.77	313.04	5.45	-61.32
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300000721357	0	42	-1.0	-62.29	343.60	4.10	-58.19
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300000721358	0	44	-1.0	-72.36	352.64	7.38	-64.98
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1CCC(C(=O)[O-])S1	REAL300000721359	0	38	-1.0	-58.15	332.65	4.88	-53.27
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1=C(C(=O)[O-])CCC1	REAL300000721360	0	38	-1.0	-57.39	325.60	5.03	-52.36
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C12CC1(C(=O)[O-])CCC2	REAL300000721361	0	41	-1.0	-62.60	338.06	5.53	-57.07
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300000721362	0	47	-1.0	-56.77	360.51	6.52	-50.25
CS(=O)(=O)C1=CC=CC=C1CNC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300000721363	0	46	-1.0	-63.49	352.46	6.84	-56.65
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300000721364	0	49	-1.0	-68.87	385.82	7.39	-61.48
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CCCCC(=O)[O-]	REAL300000721365	0	39	-1.0	-55.00	331.86	4.90	-50.10
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300000721366	0	47	-1.0	-71.84	359.66	7.95	-63.89
CS(=O)(=O)C1=CC=CC=C1CNC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300000721367	0	46	-1.0	-69.46	386.99	7.99	-61.47
COC1=CC=C(C(CC(=O)[O-])C(=O)NCC2=CC=CC=C2S(C)(=O)=O)C=C1	REAL300000721368	0	47	-1.0	-55.66	390.44	6.02	-49.64
CS(=O)(=O)C1=CC=CC=C1CNC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000721369	0	43	-1.0	-51.93	377.68	7.24	-44.69
CC(CC(=O)NCC1=NC=CC(C(F)(F)F)=N1)(C(=O)[O-])C1=CC=CC=C1	REAL300000721370	0	41	-1.0	-61.80	356.47	7.58	-54.22
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CC(C)(CC(=O)[O-])CC(=O)NCC1=NC=CC(C(F)(F)F)=N1	REAL300000721373	0	37	-1.0	-52.24	314.05	4.84	-47.40
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O=C([O-])C1(CC(=O)NCC2=NC=CC(C(F)(F)F)=N2)CCCCC1	REAL300000721375	0	41	-1.0	-60.37	336.36	6.62	-53.75
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COC1=CC=CN=C1CNC(=O)C1=C(C)C=CC(C)=C1C(=O)[O-]	REAL300000721602	0	40	-1.0	-70.45	342.07	5.74	-64.71
COC1=CC=CN=C1CNC(=O)C(C)(CC(=O)[O-])C1=CSC=C1	REAL300000721603	0	40	-1.0	-59.15	337.02	5.71	-53.44
COC1=CC=CN=C1CNC(=O)C(CC(=O)[O-])C1=C(F)C=CC=C1Cl	REAL300000721604	0	40	-1.0	-65.47	351.18	6.20	-59.27
COC1=CC=CN=C1CNC(=O)C(C)(CC(=O)[O-])CC(C)C	REAL300000721605	0	45	-1.0	-52.22	335.59	6.06	-46.16
CCC(CC(=O)[O-])(C(=O)NCC1=NC=CC=C1OC)C1=CC=C(C)C=C1	REAL300000721606	0	49	-1.0	-58.57	379.60	7.70	-50.87
COC1=CC=CN=C1CNC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1	REAL300000721607	0	43	-1.0	-57.46	351.71	6.72	-50.74
COC1=CC=CN=C1CNC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1	REAL300000721608	0	46	0.0	-69.44	349.32	5.69	-63.75
COC1=CC=CN=C1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-]	REAL300000721609	0	39	-1.0	-54.28	310.49	5.28	-49.00
COC1=CC=CN=C1CNC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21	REAL300000721610	0	44	-1.0	-65.79	357.98	7.60	-58.19
COC1=CC=CN=C1CNC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1	REAL300000721611	0	41	-1.0	-71.76	345.61	7.25	-64.51
COC1=CC=CN=C1CNC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-]	REAL300000721612	0	41	-1.0	-68.44	350.21	6.69	-61.75
COC1=CC=CN=C1CNC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F	REAL300000721613	0	37	-1.0	-54.01	327.63	4.52	-49.49
COC1=CC=CN=C1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-]	REAL300000721614	0	42	-1.0	-60.13	328.23	5.59	-54.54
COC1=CC=CN=C1CNC(=O)CC(C(=O)[O-])C1=CC=C(C)C=C1	REAL300000721615	0	43	-1.0	-62.68	356.22	7.53	-55.15
COC1=CC=CN=C1CNC(=O)C1=C(C)SC(C)=C1C(=O)[O-]	REAL300000721616	0	37	-1.0	-62.10	328.27	4.78	-57.32
CCC1CC(C(=O)[O-])C(C(=O)NCC2=NC=CC=C2OC)C1	REAL300000721617	0	43	-1.0	-57.09	341.68	5.49	-51.60
COC1=CC=CN=C1CNC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-]	REAL300000721618	0	39	-1.0	-67.97	318.55	2.95	-65.02
COC1=CC=CN=C1CNC(=O)C1=C(C(=O)[O-])CCCCC1	REAL300000721619	0	41	-1.0	-72.63	327.37	6.59	-66.04
COC1=CC=CN=C1CNC(=O)C12CCC1(C(=O)[O-])C[N@H+](CC1=CC=CC=C1)C2	REAL300000721620	0	54	0.0	-67.09	421.46	8.55	-58.54
COC1=CC=CN=C1CNC(=O)C12CCC1(C(=O)[O-])C[N@@H+](CC1=CC=CC=C1)C2	REAL300000721620	1	54	0.0	-74.84	423.53	9.04	-65.80
COC1=CC=CN=C1CNC(=O)C1C2CCC(CC2)C1C(=O)[O-]	REAL300000721621	0	44	-1.0	-52.73	330.12	6.16	-46.57
COC1=CC=CN=C1CNC(=O)[C@@H]1CCCCC[C@@H]1C(=O)[O-]	REAL300000721622	0	43	-1.0	-67.48	327.94	6.01	-61.47
COC1=CC=CN=C1CNC(=O)CC1(C(=O)[O-])CC[N@H+](CC2=CC=CC=C2)C1	REAL300000721623	0	53	0.0	-59.83	417.93	8.94	-50.89
COC1=CC=CN=C1CNC(=O)CC1(C(=O)[O-])CC[N@@H+](CC2=CC=CC=C2)C1	REAL300000721623	1	53	0.0	-59.70	417.48	8.94	-50.76
COC1=CC=CN=C1CNC(=O)CC(C(=O)[O-])C1CCCCC1	REAL300000721624	0	46	-1.0	-66.51	360.66	6.58	-59.93
COC1=CC=CN=C1CNC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1Cl	REAL300000721625	0	40	-1.0	-46.49	363.97	6.79	-39.70
COC1=CC=CN=C1CNC(=O)C1=C(C(=O)[O-])CCCCCC1	REAL300000721626	0	44	-1.0	-73.31	335.09	7.18	-66.13
COC1=CC=CN=C1CNC(=O)CC(CC1=CC=CC=C1)C(=O)[O-]	REAL300000721627	0	43	-1.0	-61.28	351.37	7.44	-53.84
COC1=CC=CN=C1CNC(=O)C(CC(=O)[O-])CC1=CC=C(Cl)C=C1	REAL300000721628	0	43	-1.0	-56.39	376.32	7.10	-49.29
COC1=CC=C(C(CC(=O)[O-])C(=O)NCC2=NC=CC=C2OC)C=C1	REAL300000721629	0	44	-1.0	-59.74	368.91	5.17	-54.57
COC1=CC=CN=C1CNC(=O)C(CC(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000721630	0	40	-1.0	-57.09	356.14	6.39	-50.70
CC(CC(=O)NCC1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=CC=C1	REAL300000721631	0	52	-1.0	-57.48	378.69	10.72	-46.76
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CCCCCC2)C1	REAL300000721632	0	55	-1.0	-57.65	368.24	9.90	-47.75
CC1(C)CCCC(CNC(=O)CC(C(=O)[O-])C2=CC=CC=C2)C1	REAL300000721633	0	49	-1.0	-55.55	367.53	10.61	-44.94
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CCCCC2)C1	REAL300000721634	0	52	-1.0	-58.67	362.48	9.69	-48.98
CC1(C)CCCC(CNC(=O)CC2(CC(=O)[O-])CCCCC2)C1	REAL300000721635	0	55	-1.0	-43.23	374.91	9.50	-33.73
CC1(C)CCCC(CNC(=O)CC2(CC(=O)[O-])CCCC2)C1	REAL300000721636	0	52	-1.0	-46.83	365.75	9.10	-37.73
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CC3=CC=CC=C3C2)C1	REAL300000721637	0	53	-1.0	-57.40	390.01	11.58	-45.82
CC(CC(=O)[O-])(C(=O)NCC1CCCC(C)(C)C1)C1CCCCC1	REAL300000721638	0	58	-1.0	-53.06	395.37	10.54	-42.52
CC1(C)CCCC(CNC(=O)C2C3C=CC(CC3)C2C(=O)[O-])C1	REAL300000721639	0	51	-1.0	-41.85	365.34	9.37	-32.48
CC(CC(=O)NCC1CCCC(C)(C)C1)(C(=O)[O-])C1=CC=C(Cl)C=C1	REAL300000721640	0	52	-1.0	-55.76	399.33	11.16	-44.60
COC1=CC=C(N(CC(=O)[O-])CC(=O)NCC2CCCC(C)(C)C2)C=C1	REAL300000721641	0	55	-1.0	-50.39	417.45	9.27	-41.12
CC1(C)CCCC(CNC(=O)CN(CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300000721642	0	51	-1.0	-46.65	404.67	10.50	-36.15
CC(SC(C)C(=O)NCC1CCCC(C)(C)C1)C(=O)[O-]	REAL300000721643	0	46	-1.0	-54.85	358.34	8.10	-46.75
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CCCC3=CC=CC=C32)C1	REAL300000721644	0	56	-1.0	-61.73	400.16	11.34	-50.39
CC1(C)CCCC(CNC(=O)C2=CC(F)=C(F)C=C2C(=O)[O-])C1	REAL300000721645	0	43	-1.0	-49.99	342.18	9.28	-40.71
CC1=CC=C(C)C(C(=O)NCC2CCCC(C)(C)C2)=C1C(=O)[O-]	REAL300000721646	0	49	-1.0	-56.51	366.98	9.66	-46.85
CC(CC(=O)[O-])(C(=O)NCC1CCCC(C)(C)C1)C1=CSC=C1	REAL300000721647	0	49	-1.0	-51.04	369.76	9.48	-41.56
CC1(C)CCCC(CNC(=O)C(CC(=O)[O-])C2=C(F)C=CC=C2Cl)C1	REAL300000721648	0	49	-1.0	-57.24	383.89	9.96	-47.28
CC(C)CC(C)(CC(=O)[O-])C(=O)NCC1CCCC(C)(C)C1	REAL300000721649	0	54	-1.0	-42.11	370.07	9.74	-32.37
CCC(CC(=O)[O-])(C(=O)NCC1CCCC(C)(C)C1)C1=CC=C(C)C=C1	REAL300000721650	0	58	-1.0	-53.49	412.05	11.52	-41.97
CC(CC(=O)[O-])(C(=O)NCC1CCCC(C)(C)C1)C1=CC=C(F)C=C1	REAL300000721651	0	52	-1.0	-50.24	384.37	10.49	-39.75
C[NH+]1CCC(CC(=O)[O-])(C(=O)NCC2CCCC(C)(C)C2)CC1	REAL300000721652	0	55	0.0	-63.50	382.04	9.44	-54.06
CC(C)(SCC(=O)[O-])C(=O)NCC1CCCC(C)(C)C1	REAL300000721653	0	46	-1.0	-52.20	351.48	7.99	-44.21
CC1(C)CCCC(CNC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])C1	REAL300000721654	0	48	-1.0	-49.52	343.15	9.06	-40.46
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CCC3=CC=CC=C32)C1	REAL300000721655	0	53	-1.0	-60.76	389.77	11.17	-49.59
CC1(C)CCCC(CNC(=O)[C@H]2C[C@]2(C(=O)[O-])C2=CC=CC=C2)C1	REAL300000721656	0	50	-1.0	-57.57	382.07	10.28	-47.29
CC1(C)CCCC(CNC(=O)C2(C3=CC=CC=C3)CC2C(=O)[O-])C1	REAL300000721657	0	50	-1.0	-60.58	382.93	10.44	-50.14
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CC(F)(F)C2(F)F)C1	REAL300000721658	0	46	-1.0	-54.46	355.60	9.04	-45.42
C[C@]1(C(=O)[O-])[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCC1CCCC(C)(C)C1	REAL300000721659	0	51	-1.0	-58.83	360.90	9.55	-49.28
CC1=CC=C(C(CC(=O)NCC2CCCC(C)(C)C2)C(=O)[O-])C=C1	REAL300000721660	0	52	-1.0	-57.86	391.82	10.75	-47.11
CC1=C(C(=O)[O-])C(C(=O)NCC2CCCC(C)(C)C2)=C(C)S1	REAL300000721661	0	46	-1.0	-56.54	362.18	8.58	-47.96
CCC1CC(C(=O)[O-])C(C(=O)NCC2CCCC(C)(C)C2)C1	REAL300000721662	0	52	-1.0	-50.99	374.40	9.24	-41.75
CC1(C)CCCC(CNC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])C1	REAL300000721663	0	48	-1.0	-58.29	351.35	6.67	-51.62
CC1(C)CCCC(CNC(=O)C2=C(C(=O)[O-])CCCCC2)C1	REAL300000721664	0	50	-1.0	-52.99	361.84	9.26	-43.73
CC1(C)CCCC(CNC(=O)C23CCC2(C(=O)[O-])C[N@H+](CC2=CC=CC=C2)C3)C1	REAL300000721665	0	63	0.0	-74.26	450.59	12.94	-61.32
CC1(C)CCCC(CNC(=O)C23CCC2(C(=O)[O-])C[N@@H+](CC2=CC=CC=C2)C3)C1	REAL300000721665	1	63	0.0	-75.39	452.25	12.77	-62.62
CC1(C)CCCC(CNC(=O)C2C3CCC(CC3)C2C(=O)[O-])C1	REAL300000721666	0	53	-1.0	-57.08	363.28	9.77	-47.31
CC1(C)CCCC(CNC(=O)[C@@H]2CCCCC[C@@H]2C(=O)[O-])C1	REAL300000721667	0	52	-1.0	-49.41	364.25	9.04	-40.37
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CC[N@H+](CC3=CC=CC=C3)C2)C1	REAL300000721668	0	62	0.0	-56.72	450.60	12.69	-44.03
CC1(C)CCCC(CNC(=O)CC2(C(=O)[O-])CC[N@@H+](CC3=CC=CC=C3)C2)C1	REAL300000721668	1	62	0.0	-53.63	446.83	12.72	-40.91
CC1(C)CCCC(CNC(=O)CC(C(=O)[O-])C2CCCCC2)C1	REAL300000721669	0	55	-1.0	-60.00	393.37	10.33	-49.67
CC1(C)CCCC(CNC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2Cl)C1	REAL300000721670	0	49	-1.0	-40.94	396.69	10.55	-30.39
CC1(C)CCCC(CNC(=O)C2=C(C(=O)[O-])CCCCCC2)C1	REAL300000721671	0	53	-1.0	-67.14	367.78	10.93	-56.21
CC1(C)CCCC(CNC(=O)CC(CC2=CC=CC=C2)C(=O)[O-])C1	REAL300000721672	0	52	-1.0	-60.42	394.46	10.94	-49.48
CC1(C)CCCC(CNC(=O)C(CC(=O)[O-])CC2=CC=C(Cl)C=C2)C1	REAL300000721673	0	52	-1.0	-49.84	401.44	11.41	-38.43
COC1=CC=C(C(CC(=O)[O-])C(=O)NCC2CCCC(C)(C)C2)C=C1	REAL300000721674	0	53	-1.0	-45.27	397.91	8.98	-36.29
CC1(C)CCCC(CNC(=O)C(CC(=O)[O-])C2=CC=C(Cl)C=C2)C1	REAL300000721675	0	49	-1.0	-41.71	385.16	10.20	-31.51
C[C@H](NC(=O)CC(C)(C(=O)[O-])C1=CC=CC=C1)C1CCCC(C)C1	REAL300000721676	0	52	-1.0	-59.91	381.53	10.85	-49.06
C[C@H](NC(=O)CC1(C(=O)[O-])CCCCCC1)C1CCCC(C)C1	REAL300000721677	0	55	-1.0	-61.49	361.39	10.08	-51.41
C[C@H](NC(=O)CC(C(=O)[O-])C1=CC=CC=C1)C1CCCC(C)C1	REAL300000721678	0	49	-1.0	-56.72	367.97	10.79	-45.93
C[C@H](NC(=O)CC1(C(=O)[O-])CCCCC1)C1CCCC(C)C1	REAL300000721679	0	52	-1.0	-60.05	359.77	9.94	-50.11
C[C@H](NC(=O)CC1(CC(=O)[O-])CCCCC1)C1CCCC(C)C1	REAL300000721680	0	55	-1.0	-43.51	366.71	9.49	-34.02
C[C@H](NC(=O)CC1(CC(=O)[O-])CCCC1)C1CCCC(C)C1	REAL300000721681	0	52	-1.0	-47.35	357.64	9.08	-38.27
C[C@H](NC(=O)CC1(C(=O)[O-])CC2=CC=CC=C2C1)C1CCCC(C)C1	REAL300000721682	0	53	-1.0	-59.49	383.43	11.46	-48.03
C[C@H](NC(=O)C(C)(CC(=O)[O-])C1CCCCC1)C1CCCC(C)C1	REAL300000721683	0	58	-1.0	-42.58	389.91	10.42	-32.16
C[C@H](NC(=O)C1C2C=CC(CC2)C1C(=O)[O-])C1CCCC(C)C1	REAL300000721684	0	51	-1.0	-41.33	360.37	9.62	-31.71
C[C@H](NC(=O)CC(C)(C(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC(C)C1	REAL300000721685	0	52	-1.0	-56.20	398.26	11.37	-44.83
COC1=CC=C(N(CC(=O)[O-])CC(=O)N[C@@H](C)C2CCCC(C)C2)C=C1	REAL300000721686	0	55	-1.0	-50.73	416.38	9.50	-41.23
C[C@H](NC(=O)CN(CC(=O)[O-])C1=CC=C(Cl)C=C1)C1CCCC(C)C1	REAL300000721687	0	51	-1.0	-46.86	403.59	10.73	-36.13
CC(SC(C)C(=O)N[C@@H](C)C1CCCC(C)C1)C(=O)[O-]	REAL300000721688	0	46	-1.0	-44.95	356.12	8.33	-36.62
C[C@H](NC(=O)CC1(C(=O)[O-])CCCC2=CC=CC=C21)C1CCCC(C)C1	REAL300000721689	0	56	-1.0	-62.26	392.05	11.33	-50.93
C[C@H](NC(=O)C1=CC(F)=C(F)C=C1C(=O)[O-])C1CCCC(C)C1	REAL300000721690	0	43	-1.0	-50.69	334.08	9.26	-41.43
CC1=CC=C(C)C(C(=O)N[C@@H](C)C2CCCC(C)C2)=C1C(=O)[O-]	REAL300000721691	0	49	-1.0	-55.72	365.01	9.84	-45.88
C[C@H](NC(=O)C(C)(CC(=O)[O-])C1=CSC=C1)C1CCCC(C)C1	REAL300000721692	0	49	-1.0	-52.35	368.66	9.68	-42.67
C[C@H](NC(=O)C(CC(=O)[O-])C1=C(F)C=CC=C1Cl)C1CCCC(C)C1	REAL300000721693	0	49	-1.0	-46.78	379.79	10.32	-36.46
CC(C)CC(C)(CC(=O)[O-])C(=O)N[C@@H](C)C1CCCC(C)C1	REAL300000721694	0	54	-1.0	-44.08	367.24	10.01	-34.07
CCC(CC(=O)[O-])(C(=O)N[C@@H](C)C1CCCC(C)C1)C1=CC=C(C)C=C1	REAL300000721695	0	58	-1.0	-54.36	404.41	11.52	-42.84
C[C@H](NC(=O)C(C)(CC(=O)[O-])C1=CC=C(F)C=C1)C1CCCC(C)C1	REAL300000721696	0	52	-1.0	-49.98	376.31	10.46	-39.52
C[C@H](NC(=O)C1(CC(=O)[O-])CC[NH+](C)CC1)C1CCCC(C)C1	REAL300000721697	0	55	0.0	-63.19	380.63	9.69	-53.50
C[C@H](NC(=O)C(C)(C)SCC(=O)[O-])C1CCCC(C)C1	REAL300000721698	0	46	-1.0	-52.37	350.41	8.21	-44.16
C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-])C1CCCC(C)C1	REAL300000721699	0	48	-1.0	-46.95	347.18	9.54	-37.41
C[C@H](NC(=O)CC1(C(=O)[O-])CCC2=CC=CC=C21)C1CCCC(C)C1	REAL300000721700	0	53	-1.0	-58.95	379.03	11.35	-47.60
C[C@H](NC(=O)[C@H]1C[C@]1(C(=O)[O-])C1=CC=CC=C1)C1CCCC(C)C1	REAL300000721701	0	50	-1.0	-59.81	385.73	10.77	-49.04
C[C@H](NC(=O)C1(C2=CC=CC=C2)CC1C(=O)[O-])C1CCCC(C)C1	REAL300000721702	0	50	-1.0	-53.83	364.06	11.00	-42.83
C[C@H](NC(=O)CC1(C(=O)[O-])CC(F)(F)C1(F)F)C1CCCC(C)C1	REAL300000721703	0	46	-1.0	-55.60	352.88	9.28	-46.32
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